Target_Comb_UniProt	Compound	Target_UniProt_1	Target_UniProt_2	pPot_1	pPot_2	Potency Difference	Classification
[P16234, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	Q5S007	P16234	7.508638306165727	7.221848749616356	0.28678955654937077	Different Group
[P16234, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	Q5S007	P16234	7.853871964321762	6.6020599913279625	1.2518119729937993	Different Group
[P16234, Q5S007]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P16234	8.397940008672037	7.040958607678906	1.3569814009931314	Different Group
[P16234, Q5S007]	CC(C)Nc1c2ccc(cc2nnc1C(=O)N)N3CCOCC3	Q5S007	P16234	7.983288122256525	6.581698708680254	1.4015894135762705	Different Group
[P16234, Q5S007]	CC(C)Nc1c2ccc(cc2nnc1C(=O)N)c3ccc(cc3)S(=O)(=O)C	Q5S007	P16234	7.696272488392665	6.896196279044043	0.8000762093486227	Different Group
[P16234, Q5S007]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	Q5S007	P16234	8.397940008672037	5.769551078621726	2.6283889300503116	Different Group
[P16234, Q5S007]	CC(C1CC1)Nc2c3ccc(cc3nnc2C(=O)N)c4ccc(cc4)S(=O)(=O)C	Q5S007	P16234	8.577450979992872	7.267606240177032	1.3098447398158397	Different Group
[P16234, Q5S007]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q5S007	P16234	9.0	9.221848749616356	0.22184874961635614	Different Group
[P16234, Q5S007]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	Q5S007	P16234	7.795880017344075	6.0195421077238995	1.7763379096201755	Different Group
[P16234, Q5S007]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P16234	8.045757490560675	7.221848749616356	0.8239087409443187	Different Group
[P16234, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	Q5S007	P16234	7.958607314841775	6.920818753952375	1.0377885608893997	Different Group
[P16234, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P16234	8.522878745280337	6.823908740944319	1.6989700043360187	Different Group
[P16234, Q5S007]	CS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)nnc(c3NC4CCC4)C(=O)N	Q5S007	P16234	7.860623199523586	7.657577319177793	0.20304588034579218	Different Group
[P16234, Q5S007]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P16234	8.154901959985743	6.267606240177032	1.8872957198087112	Different Group
[P07949, Q5S007]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	Q5S007	P07949	8.096910013008056	7.468521082957745	0.6283889300503116	Different Group
[P07949, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	Q5S007	P07949	8.154901959985743	8.397940008672037	0.24303804868629442	Different Group
[P07949, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	Q5S007	P07949	7.508638306165727	6.522878745280337	0.9857595608853895	Different Group
[P07949, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	Q5S007	P07949	7.853871964321762	7.267606240177032	0.58626572414473	Different Group
[P07949, Q5S007]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P07949	8.397940008672037	7.6020599913279625	0.795880017344075	Different Group
[P07949, Q5S007]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	Q5S007	P07949	8.397940008672037	6.823908740944319	1.5740312677277188	Different Group
[P07949, Q5S007]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q5S007	P07949	9.0	8.497903821870143	0.5020961781298574	Different Group
[P07949, Q5S007]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	Q5S007	P07949	7.795880017344075	6.79317412396815	1.002705893375925	Different Group
[P07949, Q5S007]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	Q5S007	P07949	7.68837535480105	6.3977953161789305	1.2905800386221191	Different Group
[P07949, Q5S007]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P07949	8.045757490560675	8.221848749616356	0.17609125905568135	Different Group
[P07949, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	Q5S007	P07949	7.958607314841775	8.397940008672037	0.43933269383026285	Different Group
[P07949, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P07949	8.522878745280337	7.6020599913279625	0.9208187539523749	Different Group
[P07949, Q5S007]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P07949	8.154901959985743	7.1249387366083	1.0299632233774432	Different Group
[P06239, Q5S007]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	Q5S007	P06239	8.096910013008056	5.958607314841775	2.1383026981662816	Different Group
[P06239, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	Q5S007	P06239	8.154901959985743	6.920818753952375	1.2340832060333682	Different Group
[P06239, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	Q5S007	P06239	7.508638306165727	6.443697499232713	1.0649408069330137	Different Group
[P06239, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	Q5S007	P06239	7.853871964321762	5.218244625347531	2.6356273389742304	Different Group
[P06239, Q5S007]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P06239	8.397940008672037	6.481486060122113	1.9164539485499246	Different Group
[P06239, Q5S007]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	Q5S007	P06239	8.397940008672037	5.958607314841775	2.439332693830263	Different Group
[P06239, Q5S007]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	Q5S007	P06239	6.399996913372259	6.900008766455316	0.5000118530830564	Different Group
[P06239, Q5S007]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P06239	8.045757490560675	7.301029995663981	0.7447274948966935	Different Group
[P06239, Q5S007]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q5S007	P06239	7.958607314841775	6.47755576649368	1.4810515483480948	Different Group
[P06239, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	Q5S007	P06239	7.958607314841775	6.853871964321762	1.1047353505200128	Different Group
[P06239, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P06239	8.522878745280337	6.920818753952375	1.6020599913279625	Different Group
[P06239, Q5S007]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P06239	8.154901959985743	6.4089353929735005	1.7459665670122426	Different Group
[P35968, Q5S007]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	Q5S007	P35968	8.096910013008056	7.060480747381382	1.0364292656266745	Different Group
[P35968, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	Q5S007	P35968	8.154901959985743	7.698970004336019	0.45593195564972433	Different Group
[P35968, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	Q5S007	P35968	7.508638306165727	6.494850021680094	1.0137882844856332	Different Group
[P35968, Q5S007]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	Q5S007	P35968	7.853871964321762	6.6777807052660805	1.1760912590556813	Different Group
[P35968, Q5S007]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P35968	8.397940008672037	8.154901959985743	0.24303804868629442	Different Group
[P35968, Q5S007]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	Q5S007	P35968	8.397940008672037	6.045757490560675	2.3521825181113627	Different Group
[P35968, Q5S007]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P35968	8.045757490560675	8.221848749616356	0.17609125905568135	Different Group
[P35968, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	Q5S007	P35968	7.958607314841775	8.096910013008056	0.1383026981662816	Different Group
[P35968, Q5S007]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	P35968	8.522878745280337	8.301029995663981	0.22184874961635614	Different Group
[P35968, Q5S007]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	P35968	8.154901959985743	7.795880017344075	0.3590219426416681	Different Group
[Q5S007, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	Q5S007	Q9UM73	8.154901959985743	5.795880017344075	2.359021942641668	Different Family
[Q5S007, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	Q5S007	Q9UM73	7.508638306165727	5.022276394711152	2.4863619114545745	Different Family
[Q5S007, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	Q5S007	Q9UM73	7.853871964321762	5.823908740944319	2.029963223377443	Different Family
[Q5S007, Q9UM73]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	Q9UM73	8.397940008672037	6.6777807052660805	1.720159303405957	Different Family
[Q5S007, Q9UM73]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	Q5S007	Q9UM73	8.397940008672037	5.481486060122113	2.9164539485499246	Different Family
[Q5S007, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q5S007	Q9UM73	9.0	7.948515197953478	1.051484802046522	Different Family
[Q5S007, Q9UM73]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	Q9UM73	8.045757490560675	6.259637310505756	1.786120180054919	Different Family
[Q5S007, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	Q5S007	Q9UM73	7.958607314841775	6.431798275933005	1.5268090389087696	Different Family
[Q5S007, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	Q5S007	Q9UM73	8.522878745280337	6.180456064458132	2.3424226808222057	Different Family
[Q5S007, Q9UM73]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	Q5S007	Q9UM73	8.154901959985743	5.853871964321762	2.3010299956639813	Different Family
[P04626, P06241]	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2	P04626	P06241	5.681102285372513	6.114638779968488	0.433536494595975	Different Family
[P04626, P06241]	CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4	P04626	P06241	5.97571962395292	6.091461367828041	0.11574174387512048	Different Family
[P04626, P06241]	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C	P04626	P06241	4.95436412892178	4.621493084831677	0.33287104409010304	Different Family
[P04626, P06241]	CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	P04626	P06241	5.604673606930649	5.287016119731355	0.3176574871992939	Different Family
[P04626, P06241]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P04626	P06241	5.530325227448202	5.922632094715843	0.3923068672676413	Different Family
[P04626, P06241]	CCC(C)CCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O	P04626	P06241	5.6522797829659615	6.018181392829336	0.36590160986337494	Different Family
[P04626, P06241]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P04626	P06241	5.726304412069908	6.525783735923745	0.7994793238538369	Different Family
[P04626, P06241]	CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I	P04626	P06241	5.038673844065289	6.087777943467585	1.049104099402296	Different Family
[P04626, P06241]	CCN(CC)CCOc1ccc(cc1)C(=C(c2ccccc2)Cl)c3ccccc3	P04626	P06241	5.7775436633207535	5.599807511407424	0.17773615191332937	Different Family
[P04626, P06241]	CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	P04626	P06241	4.712960072482757	5.061480274823508	0.348520202340751	Different Family
[P04626, P06241]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P04626	P06241	4.883259464547056	5.545612532853045	0.6623530683059888	Different Family
[P04626, P06241]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P04626	P06241	5.607654844638796	6.027334407733889	0.4196795630950927	Different Family
[P04626, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P04626	P06241	6.301029995663981	9.0	2.6989700043360187	Different Family
[P04626, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P04626	P06241	6.1487416512809245	9.698970004336019	3.550228353055094	Different Family
[P04626, P06241]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P04626	P06241	5.479018918580702	5.458670422333307	0.02034849624739543	Different Family
[P04626, P06241]	c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl	P04626	P06241	4.561774192395471	5.380906669373258	0.8191324769777868	Different Family
[P04626, P06241]	c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	P04626	P06241	5.69139290603168	5.900353882876769	0.20896097684508863	Different Family
[P04626, P06241]	c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	P04626	P06241	4.856860240895409	4.915924432221326	0.059064191325917115	Different Family
[P04626, P06241]	c1cc2c(cc(c(c2nc1)O)I)I	P04626	P06241	5.066664589922349	5.803823814960027	0.7371592250376784	Different Family
[P04626, P06241]	c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	P04626	P06241	4.177799218965471	4.49687692792316	0.31907770895768905	Different Family
[P04626, P06241]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P04626	P06241	5.876475019057268	5.375305468727919	0.5011695503293492	Different Family
[P04626, P06241]	c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO	P04626	P06241	4.708409174341999	5.097453220686009	0.3890440463440097	Different Family
[P04626, P06241]	c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5	P04626	P06241	4.381920509640779	4.581118931465642	0.19919842182486303	Different Family
[P04626, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P04626	P09619	7.180456064458132	5.142667503568732	2.0377885608893997	Different Family
[P04626, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P04626	P09619	5.468521082957745	4.154901959985743	1.3136191229720016	Different Family
[P04626, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P04626	P09619	5.5376020021010435	4.795880017344075	0.7417219847569685	Different Family
[P04626, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P09619	4.6020599913279625	4.42021640338319	0.18184358794477262	Different Family
[P04626, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	P09619	6.939302159646388	8.794190147018384	1.8548879873719955	Different Family
[P04626, P09619]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P04626	P09619	7.1249387366083	5.677367288307777	1.4475714483005229	Different Family
[P04626, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P09619	4.4430283238465815	6.167491087293763	1.7244627634471819	Different Family
[P04626, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P04626	P09619	6.1487416512809245	7.552841968657781	1.404100317376856	Different Family
[P04626, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P09619	5.450996737974212	5.886056647693163	0.4350599097189507	Different Family
[P04626, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P09619	5.6777807052660805	5.481486060122113	0.19629464514396755	Different Family
[P04626, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P09619	5.6777807052660805	5.3979400086720375	0.279840696594043	Different Family
[P04626, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P09619	5.552841968657781	4.991399828238082	0.5614421404196985	Different Family
[P04626, P09619]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P04626	P09619	7.4089353929735005	4.552841968657781	2.85609342431572	Different Family
[P04626, P09619]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P09619	5.113509274827518	5.376750709602099	0.2632414347745815	Different Family
[P04626, P08069]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P08069	4.6020599913279625	5.113509274827518	0.5114492834995552	Different Family
[P04626, P08069]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)Cc7ccccc7	P04626	P08069	6.508638306165727	7.3356063998227325	0.8269680936570056	Different Family
[P04626, P08069]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)c7c(cccc7F)F	P04626	P08069	7.161150909262744	6.668621084159213	0.4925298251035315	Different Family
[P04626, P08069]	CN(C)CCc1ccc(cc1)Nc2nccc(n2)c3c(nc4n3ccs4)c5cccc(c5)NC(=O)c6c(cccc6F)F	P04626	P08069	7.568636235841013	6.579633382694096	0.9890028531469168	Different Family
[P04626, P08069]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P08069	4.4430283238465815	4.945210726547806	0.5021824027012247	Different Family
[P04626, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P04626	P08069	4.443697499232712	4.7447274948966935	0.30102999566398125	Different Family
[P04626, P08069]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P04626	P08069	4.767003889607846	6.924638628008059	2.157634738400213	Different Family
[P04626, P08069]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P08069	5.450996737974212	6.6020599913279625	1.1510632533537501	Different Family
[P04626, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P08069	5.6777807052660805	5.638272163982407	0.03950854128367354	Different Family
[P04626, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P08069	5.6777807052660805	6.0	0.3222192947339195	Different Family
[P04626, P08069]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P08069	5.552841968657781	5.769551078621726	0.21670910996394532	Different Family
[P04626, P08069]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc7c(c6)CCNC7	P04626	P08069	6.920818753952375	7.156681865368853	0.23586311141647798	Different Family
[P04626, P08069]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6cccc(c6)N7CCOCC7	P04626	P08069	6.167491087293763	6.703356966489771	0.5358658791960078	Different Family
[P04626, P08069]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P08069	5.113509274827518	5.3979400086720375	0.2844307338445198	Different Family
[P04626, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P04626	P06213	7.180456064458132	4.443697499232712	2.7367585652254194	Different Family
[P04626, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P04626	P06213	5.468521082957745	4.187086643357144	1.2814344396006003	Different Family
[P04626, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P04626	P06213	5.5376020021010435	4.3872161432802645	1.150385858820779	Different Family
[P04626, P06213]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P06213	4.6020599913279625	4.568636235841013	0.033423755486949425	Different Family
[P04626, P06213]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	P06213	6.939302159646388	7.286308885233723	0.3470067255873346	Different Family
[P04626, P06213]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P06213	4.4430283238465815	4.717076090663241	0.27404776681665943	Different Family
[P04626, P06213]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	P06213	4.431798275933005	4.356547323513813	0.075250952419192	Different Family
[P04626, P06213]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P06213	5.450996737974212	6.468521082957745	1.0175243449835323	Different Family
[P04626, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P06213	5.6777807052660805	5.5376020021010435	0.140178703165037	Different Family
[P04626, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P06213	5.6777807052660805	5.853871964321762	0.17609125905568135	Different Family
[P04626, P06213]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P06213	5.552841968657781	5.356547323513812	0.19629464514396844	Different Family
[P04626, P06213]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P04626	P06213	7.4089353929735005	3.8239087409443187	3.585026652029182	Different Family
[P04626, P06213]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P06213	5.113509274827518	5.585026652029182	0.4715173772016641	Different Family
[P00533, P04626]	C#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P04626	P00533	8.721246399047171	8.682258126592544	0.03898827245462755	Same Family
[P00533, P04626]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P04626	P00533	7.180456064458132	7.107905397309519	0.07255066714861247	Same Family
[P00533, P04626]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P04626	P00533	5.468521082957745	5.920818753952375	0.45229767099463025	Same Family
[P00533, P04626]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P04626	P00533	5.5376020021010435	5.886056647693163	0.3484546455921196	Same Family
[P00533, P04626]	C#Cc1cncnc1Nc2ccc(c(c2)Cl)OCc3cccc(c3)F	P04626	P00533	5.42021640338319	7.070581074285707	1.6503646709025173	Same Family
[P00533, P04626]	C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncc(c2Nc4ccc(c(c4)Cl)F)C#N	P04626	P00533	5.771599641296995	7.096910013008056	1.325310371711061	Same Family
[P00533, P04626]	C=CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Br)F	P04626	P00533	8.958607314841775	8.67778070526608	0.28082660957569416	Same Family
[P00533, P04626]	C=CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	P00533	8.522878745280337	8.481486060122112	0.04139268515822536	Same Family
[P00533, P04626]	C=CC(=O)Nc1cc2c(cn1)ncnc2Nc3cccc(c3)Br	P04626	P00533	8.4089353929735	8.468521082957745	0.05958568998424418	Same Family
[P00533, P04626]	C=CC(=O)Nc1cc2c(ncnc2s1)Nc3ccc(c(c3)Cl)F	P04626	P00533	7.3979400086720375	7.795880017344075	0.3979400086720375	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Br)F	P04626	P00533	8.136677139879543	8.568636235841012	0.431959095961469	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	P00533	8.366531544420413	8.508638306165727	0.142106761745314	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(cc3)OCc4ccccc4	P04626	P00533	8.119186407719209	8.3767507096021	0.2575643018828906	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(cc3)Oc4ccccc4	P04626	P00533	8.065501548756432	8.318758762624412	0.2532572138679807	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(n1)c(ncn2)Nc3ccc(c(c3)Br)F	P04626	P00533	7.585026652029182	7.7447274948966935	0.15970084286751174	Same Family
[P00533, P04626]	C=CC(=O)Nc1ccc2c(n1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	P00533	7.920818753952375	7.7447274948966935	0.17609125905568135	Same Family
[P00533, P04626]	C=CC(=O)Nc1cccc(c1)Oc2cc(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.5376020021010435	7.431798275933005	0.10580372616803846	Same Family
[P00533, P04626]	CC(=O)N1CCN(CC1)Cc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	8.167491087293763	7.943095148663527	0.2243959386302361	Same Family
[P00533, P04626]	CC(=O)N1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.214670164989233	6.1487416512809245	0.06592851370830832	Same Family
[P00533, P04626]	CC(=O)NC1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.7447274948966935	6.42021640338319	0.32451109151350366	Same Family
[P00533, P04626]	CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5	P04626	P00533	8.795880017344075	8.537602002101044	0.2582780152430306	Same Family
[P00533, P04626]	CC(=O)NCc1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.2839966563652006	7.221848749616356	0.062147906748844406	Same Family
[P00533, P04626]	CC(=O)Nc1ccc(cc1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	5.739928612014925	4.600326278518962	1.1396023334959633	Same Family
[P00533, P04626]	CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P00533	7.795880017344075	8.522878745280337	0.7269987279362624	Same Family
[P00533, P04626]	CC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.886056647693163	7.920818753952375	0.034762106259211834	Same Family
[P00533, P04626]	CC(=O)Nc1cccc(c1)Oc2cc(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	6.8696662315049934	6.966576244513051	0.09691001300805713	Same Family
[P00533, P04626]	CC(=O)Nc1cccc(n1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.229147988357856	7.040958607678906	0.18818938067895008	Same Family
[P00533, P04626]	CC(C(=O)N1CCOCC1)Oc2cccc3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6nccs6	P04626	P00533	7.643675149186395	6.436518914605589	1.2071562345808058	Same Family
[P00533, P04626]	CC(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)S(=O)(=O)C	P04626	P00533	8.148741651280925	7.7447274948966935	0.4040141563842319	Same Family
[P00533, P04626]	CC(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)Cl)S(=O)(=O)C	P04626	P00533	8.387216143280265	8.008773924307505	0.37844221897275965	Same Family
[P00533, P04626]	CC(C)(C#Cc1ccc(c(c1)c2c3cnc(nc3n[nH]2)Nc4ccc(cc4F)F)OC)N	P04626	P00533	5.301029995663981	5.2839966563652006	0.017033339298780703	Same Family
[P00533, P04626]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)S(=O)(=O)C	P04626	P00533	7.769551078621726	7.327902142064283	0.441648936557443	Same Family
[P00533, P04626]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)Cl)S(=O)(=O)C	P04626	P00533	7.958607314841775	7.958607314841775	0.0	Same Family
[P00533, P04626]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5)N	P04626	P00533	9.008773924307505	8.585026652029182	0.4237472722783231	Same Family
[P00533, P04626]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5)O	P04626	P00533	8.657577319177793	8.154901959985743	0.5026753591920503	Same Family
[P00533, P04626]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5)S(=O)(=O)C	P04626	P00533	8.698970004336019	8.259637310505756	0.43933269383026285	Same Family
[P00533, P04626]	CC(C)(C)C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5	P04626	P00533	8.214670164989233	7.6777807052660805	0.5368894597231524	Same Family
[P00533, P04626]	CC(C)(C)NC(=O)c1cccc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCO)ncn3	P04626	P00533	8.638272163982407	7.481486060122113	1.156786103860294	Same Family
[P00533, P04626]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P00533	4.6020599913279625	5.045757490560675	0.4436974992327123	Same Family
[P00533, P04626]	CC(C)(C)S(=O)(=O)CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	P04626	P00533	7.853871964321762	7.251811972993799	0.6020599913279625	Same Family
[P00533, P04626]	CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4	P04626	P00533	5.97571962395292	6.252510507741327	0.276790883788407	Same Family
[P00533, P04626]	CC(C)(CO)C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5	P04626	P00533	8.481486060122112	8.154901959985743	0.32658410013636896	Same Family
[P00533, P04626]	CC(C)N(CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F)C(C)C	P04626	P00533	7.443697499232713	7.246612231696679	0.19708526753603461	Same Family
[P00533, P04626]	CC(C)NC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.316052869248488	7.406713932979542	0.09066106373105409	Same Family
[P00533, P04626]	CC(C)S(=O)(=O)CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	P04626	P00533	7.958607314841775	7.275724130399211	0.6828831844425638	Same Family
[P00533, P04626]	CC(C)S(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.619788758288394	7.7447274948966935	0.1249387366082999	Same Family
[P00533, P04626]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCCCS(=O)(=O)C	P04626	P00533	5.275724130399211	5.376750709602099	0.10102657920288838	Same Family
[P00533, P04626]	CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F)N	P04626	P00533	7.366531544420414	7.301029995663981	0.06550154875643255	Same Family
[P00533, P04626]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	P00533	6.939302159646388	6.998856140607032	0.05955398096064357	Same Family
[P00533, P04626]	CC1CCN(CC1)Oc2cc(cc3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5)OC	P04626	P00533	8.301029995663981	8.301029995663981	0.0	Same Family
[P00533, P04626]	CC1CNCCN(C1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	7.130768280269024	6.886056647693163	0.2447116325758607	Same Family
[P00533, P04626]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P04626	P00533	5.530325227448202	5.449404792510672	0.08092043493753032	Same Family
[P00533, P04626]	CCC(=O)ONC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	6.818156412055227	7.047691990337875	0.2295355782826478	Same Family
[P00533, P04626]	CCC(C)CCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O	P04626	P00533	5.6522797829659615	5.823908740944319	0.1716289579783572	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)N=C1NC(=O)OCC6COCCN6	P04626	P00533	7.657577319177793	7.638272163982407	0.019305155195386448	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OC6CCC(CC6)(C)N	P04626	P00533	7.698970004336019	7.721246399047171	0.022276394711152392	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OC6CCC(CC6)N	P04626	P00533	7.7447274948966935	7.638272163982407	0.1064553309142866	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCC6CCCCN6	P04626	P00533	7.522878745280337	7.346787486224656	0.17609125905568135	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCC6CCCNC6	P04626	P00533	7.5376020021010435	7.42021640338319	0.11738559871785359	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCC6CCNCC6	P04626	P00533	7.638272163982407	7.522878745280337	0.11539341870206954	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCC6COCCN6	P04626	P00533	7.6777807052660805	7.481486060122113	0.19629464514396755	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCCC6CCNCC6	P04626	P00533	7.431798275933005	7.356547323513813	0.075250952419192	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCCN6CCCCC6	P04626	P00533	7.552841968657781	7.42021640338319	0.13262556527459068	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCCN6CCNCC6	P04626	P00533	7.7447274948966935	7.6777807052660805	0.06694678963061307	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCCN6CCOCC6	P04626	P00533	7.113509274827518	6.954677021213342	0.1588322536141753	Same Family
[P00533, P04626]	CCC1=C2C(N=CN=C2Nc3ccc4c(c3)cnn4Cc5ccccc5)N=C1NC(=O)OCCn6ccnc6	P04626	P00533	7.356547323513813	7.3979400086720375	0.041392685158224474	Same Family
[P00533, P04626]	CCCCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	P00533	7.983288122256525	8.085348113584487	0.10205999132796251	Same Family
[P00533, P04626]	CCCCC(=O)ONC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	6.785686102575601	7.032452023781138	0.24676592120553753	Same Family
[P00533, P04626]	CCCCCCC(=O)ONC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	6.800793520838342	6.957818405484233	0.15702488464589148	Same Family
[P00533, P04626]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P04626	P00533	5.726304412069908	5.459420283495546	0.26688412857436195	Same Family
[P00533, P04626]	CCCCCOc1ccc(cc1Cl)Nc2c3cc(c(cc3ncc2C#N)OCC)NC(=O)C=CCN(C)C	P04626	P00533	5.830619504688051	6.048662481204082	0.21804297651603122	Same Family
[P00533, P04626]	CCCCN(CCCC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	P00533	6.834387609489633	7.539677499296606	0.7052898898069726	Same Family
[P00533, P04626]	CCCN(CCS(=O)(=O)C)Cc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.698970004336019	7.070581074285707	0.6283889300503116	Same Family
[P00533, P04626]	CCCS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.585026652029182	7.6777807052660805	0.09275405323689867	Same Family
[P00533, P04626]	CCCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)OCC	P04626	P00533	5.920818753952375	6.022276394711152	0.1014576407587775	Same Family
[P00533, P04626]	CCN(CC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	P00533	6.579783839821856	7.5713337517843655	0.9915499119625091	Same Family
[P00533, P04626]	CCN(CC)CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	P00533	7.731090452463363	8.338064696729745	0.6069742442663824	Same Family
[P00533, P04626]	CCN(CC)CC=CC(=O)N1CCOc2c1cc3c(c2)ncnc3Nc4cccc(c4)C#C	P04626	P00533	6.6020599913279625	7.83889035263304	1.2368303613050777	Same Family
[P00533, P04626]	CCN(CC)CCC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	P00533	8.111649408005794	8.545757490560675	0.4341080825548804	Same Family
[P00533, P04626]	CCN(CC)CCCNC(=O)C=CC(=O)Nc1cc2c(cn1)ncnc2Nc3cccc(c3)Br	P04626	P00533	7.853871964321762	7.6777807052660805	0.17609125905568135	Same Family
[P00533, P04626]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P04626	P00533	7.107905397309519	7.494850021680094	0.38694462437057453	Same Family
[P00533, P04626]	CCN(CC)CCNC(=O)c1c(c2c([nH]1)cnnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)C	P04626	P00533	6.017728766960432	5.935542010773082	0.08218675618735016	Same Family
[P00533, P04626]	CCN(CC)CCNC(=O)c1cc(c([nH]1)C=C2c3c(ncnc3Nc4ccc(c(c4)Cl)F)NC2=O)C	P04626	P00533	6.565384140134512	6.294190147018385	0.27119399311612646	Same Family
[P00533, P04626]	CCN(CC)CCNC(=O)c1cc2cnnc(c2[nH]1)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	5.4156687756324695	4.1122702027119695	1.3033985729205	Same Family
[P00533, P04626]	CCN(CC)CCOc1ccc(cc1)C(=C(c2ccccc2)Cl)c3ccccc3	P04626	P00533	5.7775436633207535	5.978810700930062	0.2012670376093082	Same Family
[P00533, P04626]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)Cc7ccccc7	P04626	P00533	6.508638306165727	6.455931955649724	0.05270635051600259	Same Family
[P00533, P04626]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)c7c(cccc7F)F	P04626	P00533	7.161150909262744	7.301029995663981	0.13987908640123692	Same Family
[P00533, P04626]	CCNC(=O)Nc1ccc(cc1)C(=O)Nc2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.068033885271827	7.508638306165727	1.4406044208938997	Same Family
[P00533, P04626]	CCNC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	6.8996294548824375	7.455931955649724	0.5563025007672868	Same Family
[P00533, P04626]	CCNC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P00533	5.856985199745905	6.6439741428068775	0.7869889430609724	Same Family
[P00533, P04626]	CCNC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	P04626	P00533	6.204119982655925	7.5376020021010435	1.3334820194451185	Same Family
[P00533, P04626]	CCNC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.809668301829708	7.8326826652518236	0.02301436342211538	Same Family
[P00533, P04626]	CCOC(=O)C(=CNc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)C(=O)OCC	P04626	P00533	5.296708621881339	6.090443970758825	0.7937353488774859	Same Family
[P00533, P04626]	CCOC(=O)C(=CNc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=O)OCC	P04626	P00533	5.482804102050026	5.991399828238082	0.508595726188056	Same Family
[P00533, P04626]	CCOC(=O)C(=CNc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)C(=O)OCC	P04626	P00533	6.0	7.638272163982407	1.638272163982407	Same Family
[P00533, P04626]	CCOC(=O)C1=C(N(C2=C(C1c3cc4cc(ccc4n5c3nnn5)C)C(=O)CCC2)c6cccnc6)N	P04626	P00533	5.3872161432802645	5.154901959985743	0.23231418329452147	Same Family
[P00533, P04626]	CCOC(=O)C1=C(N(C2=C(C1c3cc4cc(ccc4n5c3nnn5)Cl)C(=O)CCC2)c6cccnc6)N	P04626	P00533	4.6439741428068775	4.777283528852417	0.1333093860455392	Same Family
[P00533, P04626]	CCOC(=O)C1=C(N(C2=C(C1c3cc4cc(ccc4n5c3nnn5)OC)C(=O)CCC2)c6cccnc6)N	P04626	P00533	6.096910013008056	6.698970004336019	0.6020599913279625	Same Family
[P00533, P04626]	CCOC(=O)C1=C(N(C2=C(C1c3cc4ccccc4n5c3nnn5)C(=O)CCC2)c6cccnc6)N	P04626	P00533	6.698970004336019	7.045757490560675	0.34678748622465605	Same Family
[P00533, P04626]	CCOC(=O)C=CC(=O)Nc1cccc(c1)Oc2cc(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	6.707743928643524	6.889410289700751	0.18166636105722755	Same Family
[P00533, P04626]	CCOC(=O)CNc1cccc(c1)Oc2cc(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	6.6595558851598815	6.431798275933005	0.2277576092268765	Same Family
[P00533, P04626]	CCOC(=O)N1CCN(CC1)Cc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.841637507904751	7.552841968657781	0.2887955392469701	Same Family
[P00533, P04626]	CCOC(=O)c1c2c(cnnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)c([nH]1)C	P04626	P00533	6.029653123769907	5.91721462968355	0.11243849408635676	Same Family
[P00533, P04626]	CCOC(=O)c1cc2c(ncnn2c1)Nc3ccc4c(c3)cnn4Cc5ccccc5	P04626	P00533	6.4089353929735005	6.920818753952375	0.5118833609788744	Same Family
[P00533, P04626]	CCOC(=O)c1cn2c(c1C(C)C)c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5	P04626	P00533	6.6777807052660805	6.698970004336019	0.021189299069938272	Same Family
[P00533, P04626]	CCOC(=O)c1cn2c(c1C)c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5	P04626	P00533	6.698970004336019	6.698970004336019	0.0	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C(=C)CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	6.609064892896621	6.651695136951839	0.04263024405521865	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C(=C)CN3CCOCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.050609993355087	7.1249387366083	0.07432874325321315	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C(=CCN(C)C)F)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P00533	8.860120913598763	9.397668744125891	0.537547830527128	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C(C)C)C(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	7.552841968657781	7.522878745280337	0.02996322337744317	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3cc(c(c(c3)Cl)OCc4cccc(c4)F)Cl	P04626	P00533	5.875821944525325	6.441291429466834	0.5654694849415094	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3cc(c(c(c3)Cl)OCc4ccccc4)Cl	P04626	P00533	6.391473966422806	6.787812395596042	0.3963384291732357	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C#N)OCc4ccccc4	P04626	P00533	5.945386945443112	6.114638779968488	0.16925183452537595	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)Cn4ccnc4	P04626	P00533	5.976747540366288	6.284832642151542	0.30808510178525417	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)N(C)Cc4ccccc4	P04626	P00533	5.6777807052660805	6.6020599913279625	0.924279286061882	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)N4CCOCC4	P04626	P00533	5.585026652029182	4.896196279044043	0.688830372985139	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)NCc4cccc5c4cccc5	P04626	P00533	7.080921907623926	7.468521082957745	0.3875991753338184	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)NCc4ccccc4	P04626	P00533	6.987162775294828	7.346787486224656	0.35962471092982806	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OC4CCc5c4cccc5	P04626	P00533	5.343277314786793	6.409078206027614	1.065800891240821	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCC4CCCCC4	P04626	P00533	7.552841968657781	6.54515513999149	1.0076868286662908	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCCc4ccccc4	P04626	P00533	6.55129368009492	6.782516055786093	0.2312223756911731	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cc(cc(c4)F)F	P04626	P00533	6.411168274405793	6.853871964321762	0.44270368991596865	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccc(cc4)Cl	P04626	P00533	7.619788758288394	7.292429823902063	0.32735893438633035	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccc(cc4)F	P04626	P00533	7.107905397309519	7.1938200260161125	0.08591462870659328	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccc(cc4)OCc5ccccc5	P04626	P00533	5.423083044034793	6.241088107602026	0.8180050635672336	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccc(cc4F)F	P04626	P00533	7.0915149811213505	6.958607314841775	0.13290766627957584	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccc5ccccc5c4	P04626	P00533	7.7447274948966935	7.823908740944319	0.07918124604762511	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccc(c4)C	P04626	P00533	6.87942606879415	6.954677021213342	0.075250952419192	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccc(c4)C#N	P04626	P00533	6.79317412396815	6.709965388637482	0.0832087353306683	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccc(c4)Cl	P04626	P00533	8.096910013008056	8.154901959985743	0.05799194697768684	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.481486060122113	7.468521082957745	0.012964977164368285	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccc5c4cccc5	P04626	P00533	7.698970004336019	8.0	0.30102999566398125	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4Cl	P04626	P00533	8.0	7.958607314841775	0.04139268515822536	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4F	P04626	P00533	6.135488918941608	6.396855627379818	0.2613667084382101	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4OC	P04626	P00533	7.356547323513813	7.508638306165727	0.1520909826519139	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccnc4	P04626	P00533	6.570247719997592	6.467245621007502	0.10300209899008994	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccco4	P04626	P00533	7.2076083105017466	7.638272163982407	0.4306638534806604	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4cccs4	P04626	P00533	6.882728704344236	6.557520230935552	0.32520847340868375	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccnc5c4cccc5	P04626	P00533	5.926648297613099	6.623423042943488	0.696774745330389	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4nc5ccccc5s4	P04626	P00533	7.1938200260161125	6.72584215073632	0.46797787527979207	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4nccn4C	P04626	P00533	6.204119982655925	6.301029995663981	0.09691001300805624	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)Oc4ccccc4	P04626	P00533	6.735182176990463	6.351639989019068	0.38354218797139517	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)Oc4ccncc4	P04626	P00533	5.0915149811213505	6.187086643357144	1.0955716622357938	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)Sc4nc(cs4)c5ccccc5	P04626	P00533	7.886056647693163	6.903089986991944	0.9829666607012193	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(cc3)OCc4ccccc4	P04626	P00533	6.302770657240282	6.462180904926726	0.15941024768644318	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc4c(c3)CCN4Cc5ccccc5	P04626	P00533	6.638272163982407	6.468521082957745	0.1697510810246623	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc4c(c3)ccn4S(=O)(=O)c5ccccc5	P04626	P00533	7.6020599913279625	7.086186147616283	0.5158738437116792	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3cccc(c3)OCc4ccccc4	P04626	P00533	4.87942606879415	4.886056647693163	0.00663057889901264	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)CCO)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	7.568636235841013	7.698970004336019	0.13033376849500566	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)CCOC)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	6.73754891026957	7.167491087293763	0.42994217702419313	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(C)NCC(C(C(C(CO)O)O)O)O)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	6.015022873584507	6.1432711096171175	0.12824823603261049	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN(CC(C)O)CC(C)O)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	6.982966660701219	7.008773924307505	0.025807263606285602	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3C(CCCC3C)C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.3851027839668655	6.607303046740334	0.22220026277346872	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CC3C(=O)OC)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.707743928643524	6.464705879957229	0.24303804868629442	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCC(CC3)(O)O)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.236572006437063	6.549750891680639	0.686821114756424	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCC(CC3)O)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.772113295386326	6.655607726314889	0.11650556907143717	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.3979400086720375	7.585026652029182	0.1870866433571443	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.229147988357856	7.107905397309519	0.12124259104833701	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCCC3COC)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.767003889607846	6.82102305270683	0.05401916309898436	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.6020599913279625	7.508638306165727	0.09342168516223559	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCN(CC3)C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.267606240177032	6.443697499232713	0.17609125905568135	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCOCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.229147988357856	7.698970004336019	0.46982201597816253	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCOCCOCCOCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.219682687859849	6.493494967595128	0.2738122797352789	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCN3CCSCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.5376020021010435	7.795880017344075	0.2582780152430315	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=CCc3c[nH]cn3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.161150909262744	7.619788758288394	0.4586378490256493	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=Cc3cccc4c3nccc4)c(c(cn2)C#N)Nc5ccc(c(c5)Cl)OCc6ccccc6	P04626	P00533	5.945386945443112	6.00436480540245	0.05897785995933802	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=Cc3ccccc3N(C)C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	5.856672870007953	5.804377056413063	0.052295813594890106	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NC(=O)C=Cc3cn(cn3)C)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	6.6439741428068775	6.5934598195660445	0.05051432324083294	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NCC(=C)C(=O)O)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	5.422393322637465	5.924088238517222	0.5016949158797575	Same Family
[P00533, P04626]	CCOc1cc2c(cc1NS(=O)(=O)C=C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccc4	P04626	P00533	7.214670164989233	7.346787486224656	0.1321173212354232	Same Family
[P00533, P04626]	CCOc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)C(=O)OC(C)Cn4c(ncc4[N+](=O)[O-])C)C(=O)C	P04626	P00533	4.741841806659206	4.569462507032517	0.17237929962668908	Same Family
[P00533, P04626]	CCOc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)C(=O)OCCn4c(ncc4[N+](=O)[O-])C)C(=O)C	P04626	P00533	4.825940192274975	4.819150451949307	0.006789740325667815	Same Family
[P00533, P04626]	CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O	P04626	P00533	5.225687456248349	5.4845368116267315	0.2588493553783824	Same Family
[P00533, P04626]	CCS(=O)(=O)CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	P04626	P00533	8.070581074285707	7.508638306165727	0.5619427681199802	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)NCc3ccccc3)C(=O)OCC	P04626	P00533	5.142667503568732	6.698970004336019	1.5563025007672868	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc(c(c3)Cl)F)C(=O)OCC	P04626	P00533	5.552841968657781	7.045757490560675	1.4929155219028942	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc(cc3)Oc4ccccc4)C(=O)OCC	P04626	P00533	6.086186147616283	6.214670164989233	0.12848401737294957	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cn[nH]4)C(=O)OCC	P04626	P00533	5.481486060122113	7.301029995663981	1.8195439355418683	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)N	P04626	P00533	6.958607314841775	6.920818753952375	0.03778856088939975	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)N(C)C	P04626	P00533	6.301029995663981	6.698970004336019	0.3979400086720375	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)NC	P04626	P00533	6.886056647693163	7.154901959985743	0.26884531229258	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)O	P04626	P00533	7.3979400086720375	7.698970004336019	0.30102999566398125	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)C(=O)OCC	P04626	P00533	6.7447274948966935	6.920818753952375	0.17609125905568135	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)CC(=O)N	P04626	P00533	5.619788758288394	5.958607314841775	0.338818556553381	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)CC(=O)O	P04626	P00533	6.167491087293763	5.795880017344075	0.3716110699496884	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)CNCC	P04626	P00533	5.013228265733755	5.130768280269024	0.11754001453526897	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)CO	P04626	P00533	6.136677139879544	6.309803919971486	0.17312678009194205	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)COCC	P04626	P00533	5.853871964321762	6.022276394711152	0.16840443038939057	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5ccccc5)NC(=O)OCc6ccccc6	P04626	P00533	6.769551078621726	6.6777807052660805	0.09177037335564542	Same Family
[P00533, P04626]	CCc1c(cn2c1c(ncn2)Nc3cccc(c3)Br)C(=O)OCC	P04626	P00533	5.522878745280337	7.221848749616356	1.6989700043360187	Same Family
[P00533, P04626]	CN(C)C1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.958607314841775	7.0	0.04139268515822536	Same Family
[P00533, P04626]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P04626	P00533	7.1249387366083	9.698970004336019	2.574031267727719	Same Family
[P00533, P04626]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F)F	P04626	P00533	6.919215086306307	9.652259161754902	2.7330440754485945	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)Cc4nc(cs4)c5ccccc5)C#N	P04626	P00533	7.130768280269024	6.669586226650809	0.46118205361821474	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)NCNc4ccccc4)C#N	P04626	P00533	5.958607314841775	6.6777807052660805	0.7191733904243058	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)NCc4ccccc4)C#N	P04626	P00533	4.886056647693163	6.3979400086720375	1.5118833609788744	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)NCc4cccnc4)C#N	P04626	P00533	5.4089353929735005	7.142667503568732	1.7337321105952315	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)OCc4ccccc4)C#N	P04626	P00533	7.4089353929735005	7.619788758288394	0.21085336531489318	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)Sc4ncc(s4)c5ccccc5)C#N	P04626	P00533	5.996970529446382	7.494850021680094	1.4978794922337118	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)Sc4ncccn4)C#N	P04626	P00533	6.458420756053419	6.394694953858891	0.06372580219452839	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)Sc4nccs4)C#N	P04626	P00533	7.080921907623926	7.376750709602099	0.29582880197817296	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(c(c3)Cl)n4ccnc4)C#N	P04626	P00533	6.096910013008056	6.113509274827518	0.016599261819461475	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc(cc3)OCc4ccccc4)C#N	P04626	P00533	6.440093374963888	6.732828271596986	0.2927348966330987	Same Family
[P00533, P04626]	CN(C)CC=CC(=O)Nc1cc2c(cc1OC)ncc(c2Nc3ccc4c(c3)cnn4Cc5ccccc5)C#N	P04626	P00533	7.1249387366083	6.886056647693163	0.23888208891513685	Same Family
[P00533, P04626]	CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	P04626	P00533	4.712960072482757	4.539583303374264	0.17337676910849353	Same Family
[P00533, P04626]	CN(C)CCCNC(=O)C=CC(=O)Nc1cc2c(cn1)ncnc2Nc3cccc(c3)Br	P04626	P00533	7.886056647693163	7.2441251443275085	0.6419315033656545	Same Family
[P00533, P04626]	CN(C)CCCNC(=O)C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P04626	P00533	6.684029654543083	7.229147988357856	0.5451183338147736	Same Family
[P00533, P04626]	CN(C)CCCOC(=O)C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P04626	P00533	6.958607314841775	6.966576244513051	0.007968929671275937	Same Family
[P00533, P04626]	CN(C)CCc1ccc(cc1)Nc2nccc(n2)c3c(nc4n3ccs4)c5cccc(c5)NC(=O)c6c(cccc6F)F	P04626	P00533	7.568636235841013	6.657577319177793	0.9110589166632197	Same Family
[P00533, P04626]	CN(C)N=Cc1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N	P04626	P00533	8.261439372640169	8.096910013008056	0.16452935963211246	Same Family
[P00533, P04626]	CN(CCO)Cc1ccn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F	P04626	P00533	6.958607314841775	6.958607314841775	0.0	Same Family
[P00533, P04626]	CN(CCO)c1cc2c(cn1)ncnc2Nc3ccc4c(c3)cnn4Cc5ccccc5	P04626	P00533	7.522878745280337	7.443697499232713	0.07918124604762422	Same Family
[P00533, P04626]	CN1CCC(CC1)Oc2cccc3c2c(ncn3)Nc4ccc(c(c4)Cl)OC	P04626	P00533	5.958607314841775	5.7447274948966935	0.2138798199450811	Same Family
[P00533, P04626]	CN1CCC(CC1)Oc2cccc3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.251811972993799	8.301029995663981	1.049218022670182	Same Family
[P00533, P04626]	CN1CCC(CC1)Oc2cccc3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	P04626	P00533	7.214670164989233	6.853871964321762	0.36079820066747104	Same Family
[P00533, P04626]	CN1CCC(CC1)Oc2cccc3c2c(ncn3)Nc4ccc(cc4)OCc5ccccn5	P04626	P00533	7.154901959985743	5.6777807052660805	1.4771212547196626	Same Family
[P00533, P04626]	CN1CCCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.920818753952375	6.886056647693163	0.034762106259211834	Same Family
[P00533, P04626]	CN1CCN(CC1)C(=O)c2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.273272790973428	6.633763876281707	0.6395089146917208	Same Family
[P00533, P04626]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)F)Nc6nc7cccc(c7o6)Cl)c(ncn4)N	P04626	P00533	6.441291429466834	5.540607512240769	0.9006839172260648	Same Family
[P00533, P04626]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6nc7cccc(c7o6)Cl)c(ncn4)N	P04626	P00533	6.468521082957745	5.638272163982407	0.8302489189753377	Same Family
[P00533, P04626]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Br)F	P04626	P00533	8.878480975656853	8.763621775341393	0.11485920031545938	Same Family
[P00533, P04626]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Cl)F	P04626	P00533	9.083937324331266	9.011138197355576	0.07279912697569024	Same Family
[P00533, P04626]	CN1CCN(CC1)Cc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.6252516539898965	7.903089986991944	0.2778383330020473	Same Family
[P00533, P04626]	CN1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.920818753952375	6.769551078621726	0.151267675330649	Same Family
[P00533, P04626]	CNC(=O)NCc1cccc(n1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.161150909262744	7.638272163982407	0.4771212547196626	Same Family
[P00533, P04626]	CNC(=O)c1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.494850021680094	7.102372908709558	0.39247711297053556	Same Family
[P00533, P04626]	CNC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	9.0	7.458420756053419	1.5415792439465807	Same Family
[P00533, P04626]	CNC1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	7.267606240177032	7.200659450546419	0.06694678963061307	Same Family
[P00533, P04626]	CNN=Cc1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N	P04626	P00533	6.75910675601623	7.920818753952375	1.1617119979361448	Same Family
[P00533, P04626]	COC(=O)C1=C(N(C2=C(C1c3cc4cc(ccc4n5c3nnn5)Cl)C(=O)CCC2)c6cccnc6)N	P04626	P00533	5.045757490560675	5.0915149811213505	0.045757490560675684	Same Family
[P00533, P04626]	COC(=O)C1=C(N(C2=C(C1c3cc4ccccc4n5c3nnn5)C(=O)CCC2)c6cccnc6)N	P04626	P00533	5.721246399047171	5.958607314841775	0.2373609157946035	Same Family
[P00533, P04626]	COC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1	P04626	P00533	7.0	6.958607314841775	0.04139268515822536	Same Family
[P00533, P04626]	COC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc5c4ccs5)NCC1	P04626	P00533	7.7447274948966935	7.356547323513813	0.3881801713828805	Same Family
[P00533, P04626]	COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.5376020021010435	7.508638306165727	0.028963695935316558	Same Family
[P00533, P04626]	COC1CNCCN(C1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.769551078621726	6.721246399047171	0.048304679574554754	Same Family
[P00533, P04626]	COCCOc1cc2c(cc1OCCOC)ncc(c2Nc3cccc(c3)C#C)C#N	P04626	P00533	4.9299621333922445	6.070581074285707	1.1406189408934626	Same Family
[P00533, P04626]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P00533	4.4430283238465815	4.645365019512084	0.20233669566550283	Same Family
[P00533, P04626]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P04626	P00533	4.443697499232712	4.853871964321762	0.41017446508904953	Same Family
[P00533, P04626]	COc1cc(ccc1OCc2cccc(c2)F)Nc3c4cc(ccc4ncn3)c5ccc(o5)CNCCS(=O)(=O)C	P04626	P00533	7.045757490560675	7.0	0.045757490560674796	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C(=CCN3CCCCC3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.4889191544608815	9.371280716570093	2.882361562109211	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C(=CCN3CCOCC3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	5.813608784304507	9.399301437839775	3.5856926535352676	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C=CCN3CCC(CC3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.607092104706606	7.742801573860656	1.1357094691540501	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C=CCN3CCCC(C3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.673438856035807	7.343518484209501	0.6700796281736947	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	7.777283528852417	8.288161906333738	0.5108783774813208	Same Family
[P00533, P04626]	COc1cc2c(cc1NC(=O)C=CCN3CCCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	7.065602559219012	7.916139199133427	0.8505366399144156	Same Family
[P00533, P04626]	COc1cc2c(cc1OC3CCN(CC3)CC(=O)N)c(ncn2)Nc4cccc(c4F)Cl	P04626	P00533	7.153929195316608	8.548455006504028	1.3945258111874201	Same Family
[P00533, P04626]	COc1cc2c(cc1OCCCN3CCOCC3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)F	P04626	P00533	4.8326826652518236	5.982966660701219	1.1502839954493957	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Br)C4=NC(=O)CS4	P04626	P00533	5.560667306169737	5.8996294548824375	0.33896214871270036	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Cl)C4=NC(=O)CS4	P04626	P00533	5.11975822410452	5.2716462179787715	0.15188799387425167	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)F)C4=NC(=O)CS4	P04626	P00533	5.094743951251549	5.22548303427145	0.13073908301990134	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P04626	P00533	5.484126156288321	5.982966660701219	0.4988405044128985	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P04626	P00533	5.838631997765025	6.920818753952375	1.0821867561873502	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P04626	P00533	5.3788237182249645	6.795880017344075	1.4170562991191105	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P04626	P00533	5.521433504406157	7.0	1.4785664955938431	Same Family
[P00533, P04626]	COc1ccc(cc1)C2=NN(C(C2)c3ccccc3)C4=NC(=O)CS4	P04626	P00533	5.3851027839668655	5.6252516539898965	0.24014887002303098	Same Family
[P00533, P04626]	COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br	P04626	P00533	5.032920265855503	5.099086932262331	0.06616666640682833	Same Family
[P00533, P04626]	COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl	P04626	P00533	4.985479461242076	5.066512712151295	0.08103325090921842	Same Family
[P00533, P04626]	COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F	P04626	P00533	4.905528871358356	4.971022294791222	0.06549342343286657	Same Family
[P00533, P04626]	COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)OC	P04626	P00533	4.979638717352292	5.051098239029787	0.07145952167749492	Same Family
[P00533, P04626]	COc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccccc4	P04626	P00533	5.20690839982342	5.369572124974976	0.16266372515155592	Same Family
[P00533, P04626]	COc1ccc(cc1)CC(=O)NS(=O)(=O)c2ccc(cc2)Br	P04626	P00533	4.601539150391777	4.617082864912469	0.015543714520691587	Same Family
[P00533, P04626]	COc1ccc(cc1)CC(=O)NS(=O)(=O)c2ccc(cc2)Cl	P04626	P00533	4.42101715729721	4.4834646261042	0.06244746880699026	Same Family
[P00533, P04626]	COc1ccc(cc1)CC(=O)NS(=O)(=O)c2ccc(cc2)F	P04626	P00533	4.629857152948898	4.660747365967301	0.030890213018402335	Same Family
[P00533, P04626]	COc1ccc(cc1)CC(=O)NS(=O)(=O)c2ccccc2	P04626	P00533	4.536554968229572	4.581698708680254	0.04514374045068248	Same Family
[P00533, P04626]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P04626	P00533	4.883259464547056	5.217742426336699	0.334482961789643	Same Family
[P00533, P04626]	COc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2)Oc3cc(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	5.908684840302777	6.281498311132726	0.3728134708299491	Same Family
[P00533, P04626]	COc1ccc2c(c1)cc(c3n2nnn3)C4C(=C(N(C5=C4C(=O)CCC5)c6cccnc6)N)C#N	P04626	P00533	5.050609993355088	5.267606240177032	0.21699624682194418	Same Family
[P00533, P04626]	COc1ccc2c(c1)cc(c3n2nnn3)C4C5=C(CCCC5=O)N(C(=C4C(=O)OC)N)c6cccnc6	P04626	P00533	5.6777807052660805	5.886056647693163	0.20827594242708258	Same Family
[P00533, P04626]	COc1cccc2c1c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P00533	7.619788758288394	6.356547323513812	1.2632414347745815	Same Family
[P00533, P04626]	COc1cn2c(c1CN3CCC(CC3)N)c(ncn2)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	7.366531544420414	7.3979400086720375	0.03140846425162369	Same Family
[P00533, P04626]	COc1cn2c(c1CN3CCCNCC3)c(ncn2)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.769551078621726	6.721246399047171	0.048304679574554754	Same Family
[P00533, P04626]	COc1cn2c(c1COCC3CNCCO3)c(ncn2)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.6020599913279625	6.366531544420414	0.2355284469075487	Same Family
[P00533, P04626]	CS(=O)(=O)CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	P04626	P00533	8.200659450546418	7.823908740944319	0.3767507096020992	Same Family
[P00533, P04626]	CS(=O)(=O)CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)Cl	P04626	P00533	8.537602002101044	8.173925197299173	0.36367680480187126	Same Family
[P00533, P04626]	CS(=O)(=O)CC(c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F)N	P04626	P00533	8.326939073264672	7.86357660273463	0.46336247053004165	Same Family
[P00533, P04626]	CS(=O)(=O)CC(c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F)NC6CCCCC6	P04626	P00533	7.23210238398191	7.112382699664264	0.11971968431764601	Same Family
[P00533, P04626]	CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.494850021680094	7.301029995663981	0.19382002601611248	Same Family
[P00533, P04626]	CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.657577319177793	7.568636235841013	0.0889410833367803	Same Family
[P00533, P04626]	CS(=O)(=O)CCN(Cc1ccccc1)Cc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	6.85078088734462	7.045757490560675	0.19497660321605448	Same Family
[P00533, P04626]	CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1	P04626	P00533	7.187086643357144	7.1249387366083	0.062147906748844406	Same Family
[P00533, P04626]	CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc5c4ccs5)NCC1	P04626	P00533	7.522878745280337	7.327902142064283	0.19497660321605448	Same Family
[P00533, P04626]	CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	8.045757490560675	7.823908740944319	0.22184874961635614	Same Family
[P00533, P04626]	CS(=O)(=O)CCNC(CS(=O)(=O)C)c1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.282329496997738	7.542118103266008	0.2597886062682697	Same Family
[P00533, P04626]	CS(=O)(=O)CCNC1CCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.721246399047171	6.698970004336019	0.022276394711152392	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCCCCOc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	P00533	5.860120913598763	7.424399375629079	1.564278462030316	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCCCCOc1ccc2c(c1)c(ncn2)Nc3cccc(c3)C#C	P04626	P00533	5.774690718274137	7.653488466038153	1.8787977477640165	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2cc3c(cn2)ncnc3Nc4ccc(cc4)OCc5ccccc5	P04626	P00533	7.585026652029182	7.6020599913279625	0.017033339298780703	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Br)OCc5ccccc5	P04626	P00533	7.6020599913279625	7.6020599913279625	0.0	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)C(F)(F)F)OCc5cccc(c5)F	P04626	P00533	6.657577319177793	7.096910013008056	0.43933269383026285	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)C(F)(F)F)OCc5ccccc5	P04626	P00533	6.698970004336019	6.795880017344075	0.09691001300805624	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccc5	P04626	P00533	7.657577319177793	7.7447274948966935	0.08715017571890016	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)OCc5cccc(c5)Br	P04626	P00533	7.0	7.366531544420414	0.3665315444204138	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)OCc5cccc(c5)C(F)(F)F	P04626	P00533	6.443697499232713	7.040958607678906	0.597261108446193	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)OCc5cccc(c5)F	P04626	P00533	7.508638306165727	7.619788758288394	0.11115045212266672	Same Family
[P00533, P04626]	CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)OCc5ccccc5	P04626	P00533	7.585026652029182	7.568636235841013	0.01639041618816872	Same Family
[P00533, P04626]	CS(=O)(=O)CCNc1nc(cs1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.232845308952232	7.548455006504028	0.31560969755179613	Same Family
[P00533, P04626]	CS(=O)(=O)CCNc1nc(cs1)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	P04626	P00533	7.27348273627827	7.05367448306135	0.21980825321691988	Same Family
[P00533, P04626]	CS(=O)(=O)CCOCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.769551078621726	7.585026652029182	0.1845244265925441	Same Family
[P00533, P04626]	CS(=O)(=O)N1CCCN(CC1)Cc2ccn3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F	P04626	P00533	6.920818753952375	6.6777807052660805	0.24303804868629442	Same Family
[P00533, P04626]	CS(=O)(=O)N1CCN(CC1)Cc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.703334809738469	7.2225731776106885	0.48076163212778056	Same Family
[P00533, P04626]	CS(=O)(=O)NCCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.798602875679548	7.768353689499303	0.03024918618024497	Same Family
[P00533, P04626]	CS(=O)(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.346787486224656	6.958607314841775	0.3881801713828814	Same Family
[P00533, P04626]	CS(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	8.070581074285707	7.582246664667841	0.4883344096178659	Same Family
[P00533, P04626]	CSCCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.73754891026957	7.425140483253597	0.31240842701597327	Same Family
[P00533, P04626]	Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)NC(=O)OCC6COCCN6	P04626	P00533	7.657577319177793	7.494850021680094	0.16272729749769965	Same Family
[P00533, P04626]	Cc1c2c(cnnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)[nH]c1C(=O)NCCCN5CCN(CC5)C	P04626	P00533	5.649751981665837	6.008773924307505	0.3590219426416681	Same Family
[P00533, P04626]	Cc1c2c(cnnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)[nH]c1C(=O)NCCN5CCN(CC5)C	P04626	P00533	6.074172425375258	6.590066876668706	0.5158944512934482	Same Family
[P00533, P04626]	Cc1cc([nH]c1C=C2c3c(ncnc3Nc4ccc(c(c4)Cl)F)NC2=O)C(=O)N5CC(NC(C5)C)C	P04626	P00533	6.296729909783022	5.58838029403677	0.7083496157462523	Same Family
[P00533, P04626]	Cc1cc([nH]c1C=C2c3c(ncnc3Nc4ccc(c(c4)Cl)F)NC2=O)C(=O)N5CCN(CC5)C	P04626	P00533	6.565384140134512	6.56246936830415	0.0029147718303619286	Same Family
[P00533, P04626]	Cc1cc([nH]c1C=C2c3c(ncnc3Nc4ccc5c(c4)CCC5)NC2=O)C(=O)N6CCOCC6	P04626	P00533	5.555955204081924	5.332773124424534	0.22318207965738956	Same Family
[P00533, P04626]	Cc1cc([nH]c1C=C2c3c(ncnc3Nc4ccc5c(c4)ccn5Cc6ccccc6)NC2=O)C(=O)N7CCOCC7	P04626	P00533	7.0	7.0	0.0	Same Family
[P00533, P04626]	Cc1cc([nH]c1C=C2c3c(ncnc3Nc4ccc5c(c4)cnn5Cc6ccccc6)NC2=O)C(=O)N7CCOCC7	P04626	P00533	7.0	7.0	0.0	Same Family
[P00533, P04626]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P04626	P00533	5.607654844638796	6.248720896016658	0.6410660513778614	Same Family
[P00533, P04626]	Cc1cc(ccc1OCc2ccccn2)Nc3c4cc(c(cc4ncn3)OC)OC	P04626	P00533	7.251811972993799	7.229147988357856	0.022663984635943102	Same Family
[P00533, P04626]	Cc1cc(cnc1)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	P04626	P00533	7.221848749616356	7.070581074285707	0.151267675330649	Same Family
[P00533, P04626]	Cc1cc(cnc1)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)N	P04626	P00533	7.886056647693163	7.721246399047171	0.16481024864599192	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Br)C4=NC(=O)CS4	P04626	P00533	5.97061622231479	6.619788758288394	0.6491725359736034	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)C(=O)OC(C)Cn4c(ncc4[N+](=O)[O-])C)C(=O)C	P04626	P00533	4.7237680420781665	4.592049720330362	0.13171832174780462	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)C(=O)OCCn4c(ncc4[N+](=O)[O-])C)C(=O)C	P04626	P00533	4.8807441107220635	4.961388753519627	0.08064464279756312	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Cl)C4=NC(=O)CS4	P04626	P00533	5.507239610973163	5.779891911959945	0.27265230098678206	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)F)C4=NC(=O)CS4	P04626	P00533	5.452225294612178	5.696803942579511	0.24457864796733375	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)OC)C4=NC(=O)CS4	P04626	P00533	5.205511953340831	5.372634143407267	0.16712219006643636	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P04626	P00533	5.982966660701219	6.2839966563652006	0.30102999566398125	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P04626	P00533	5.94692155651658	7.221848749616356	1.274927193099776	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P04626	P00533	5.175223537524454	5.686132779630847	0.5109092421063925	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P04626	P00533	5.718966632752273	6.698970004336019	0.980003371583746	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2=NN(C(C2)c3ccccc3)C4=NC(=O)CS4	P04626	P00533	5.649751981665837	5.966576244513051	0.31682426284721377	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br	P04626	P00533	5.152427340857888	5.253365801062421	0.10093846020453334	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)C	P04626	P00533	5.598599459218456	5.935542010773082	0.3369425515546256	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl	P04626	P00533	5.089909454405932	5.175874166083451	0.08596471167751929	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F	P04626	P00533	4.988852639224203	5.077793722560983	0.0889410833367803	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)OC	P04626	P00533	5.133712660915805	5.262807357295263	0.12909469637945836	Same Family
[P00533, P04626]	Cc1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccccc4	P04626	P00533	5.333482019445119	5.518557371497695	0.18507535205257586	Same Family
[P00533, P04626]	Cc1ccc(cc1)C=CC(=O)OCCn2c(ncc2[N+](=O)[O-])C	P04626	P00533	5.015472686656207	5.090979145788844	0.07550645913263665	Same Family
[P00533, P04626]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)Br	P04626	P00533	4.691862621361961	4.7363639314118915	0.044501310049930076	Same Family
[P00533, P04626]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)Cl	P04626	P00533	4.80771138743188	4.8623294627632445	0.05461807533136476	Same Family
[P00533, P04626]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)F	P04626	P00533	4.9775716288145135	5.08196966321512	0.10439803440060658	Same Family
[P00533, P04626]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc2cccc(c2)Br	P04626	P00533	4.55455148573395	4.5821962773601195	0.027644791626169507	Same Family
[P00533, P04626]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Cn2c(ncc2[N+](=O)[O-])C	P04626	P00533	5.3223930472795065	5.464705879957229	0.14231283267772277	Same Family
[P00533, P04626]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P04626	P00533	7.721246399047171	7.958607314841775	0.2373609157946035	Same Family
[P00533, P04626]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P04626	P00533	8.154901959985743	8.154901959985743	0.0	Same Family
[P00533, P04626]	Cc1ccc2c(c1)cc(c3n2nnn3)C4C(=C(N(C5=C4C(=O)CCC5)c6cccnc6)N)C#N	P04626	P00533	4.8297382846050425	4.982966660701219	0.1532283760961768	Same Family
[P00533, P04626]	Cc1ccc2c(c1)cc(c3n2nnn3)C4C5=C(CCCC5=O)N(C(=C4C(=O)OC)N)c6cccnc6	P04626	P00533	5.2839966563652006	5.366531544420414	0.08253488805521325	Same Family
[P00533, P04626]	Cc1ccc2c(nc(nc2c1)Nc3nc(cc(n3)O)CSc4nnnn4c5ccccc5)C	P04626	P00533	5.219754716134648	5.406713932979542	0.1869592168448948	Same Family
[P00533, P04626]	Cc1cccc(c1)Nc2c3cc(ccc3ncn2)NC(=O)C=C	P04626	P00533	8.657577319177793	8.327902142064282	0.32967517711351135	Same Family
[P00533, P04626]	Cc1cccc(c1)Nc2c3cc(ncc3ncn2)NC(=O)C=C	P04626	P00533	8.05551732784983	8.080921907623926	0.02540457977409538	Same Family
[P00533, P04626]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P04626	P00533	6.301029995663981	5.2839966563652006	1.0170333392987807	Same Family
[P00533, P04626]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P04626	P00533	6.1487416512809245	6.7447274948966935	0.595985843615769	Same Family
[P00533, P04626]	Cc1ccn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F	P04626	P00533	7.055517327849832	7.0915149811213505	0.035997653271518715	Same Family
[P00533, P04626]	Cc1ncc(n1CC(=O)NS(=O)(=O)c2ccc(cc2)Br)[N+](=O)[O-]	P04626	P00533	5.444905551421681	5.663540266151471	0.2186347147297898	Same Family
[P00533, P04626]	Cc1ncc(n1CC(=O)NS(=O)(=O)c2ccc(cc2)Cl)[N+](=O)[O-]	P04626	P00533	5.467245621007502	5.82102305270683	0.35377743169932785	Same Family
[P00533, P04626]	Cc1ncc(n1CC(=O)NS(=O)(=O)c2ccc(cc2)F)[N+](=O)[O-]	P04626	P00533	5.815308569182402	6.4089353929735005	0.5936268237910989	Same Family
[P00533, P04626]	Cc1ncc(n1CC(=O)NS(=O)(=O)c2ccccc2)[N+](=O)[O-]	P04626	P00533	5.375717904164332	5.531652669587842	0.1559347654235106	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)Br)[N+](=O)[O-]	P04626	P00533	5.082494490447453	5.224376974363092	0.14188248391563896	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)C(F)(F)F)[N+](=O)[O-]	P04626	P00533	5.250263684430939	5.1754370562594865	0.07482662817145247	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)Cl)[N+](=O)[O-]	P04626	P00533	5.001740661576301	5.03319446527853	0.031453803702229166	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)F)[N+](=O)[O-]	P04626	P00533	5.068542129310995	5.181387018684063	0.11284488937306847	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)I)[N+](=O)[O-]	P04626	P00533	4.897566294318664	4.971011122863227	0.07344482854456302	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)OC)[N+](=O)[O-]	P04626	P00533	4.919012953089113	4.671208266301088	0.24780468678802503	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)[N+](=O)[O-])[N+](=O)[O-]	P04626	P00533	5.452225294612178	5.838316240775013	0.38609094616283546	Same Family
[P00533, P04626]	Cc1ncc(n1CC(C)OC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccccc4)[N+](=O)[O-]	P04626	P00533	4.769551078621726	4.912109326428633	0.14255824780690673	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)Br)[N+](=O)[O-]	P04626	P00533	5.3325470471100465	5.489454989793388	0.15690794268334152	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)C(C)C)[N+](=O)[O-]	P04626	P00533	5.001304841688344	5.166215625343521	0.16491078365517708	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)Cl)[N+](=O)[O-]	P04626	P00533	5.321481620959886	5.441291429466834	0.11980980850694856	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)F)[N+](=O)[O-]	P04626	P00533	5.2335871528876	5.3851027839668655	0.15151563107926513	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)OC)[N+](=O)[O-]	P04626	P00533	4.844056982028163	4.964570261815452	0.12051327978728921	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)OCc3ccccc3)[N+](=O)[O-]	P04626	P00533	5.460923901207224	5.896196279044043	0.43527237783681905	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc(cc2)c3ccccc3)[N+](=O)[O-]	P04626	P00533	5.667561540084395	6.2076083105017466	0.5400467704173515	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccc3ccccc3c2)[N+](=O)[O-]	P04626	P00533	5.0343280287798935	5.239577516576788	0.20524948779689467	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2cccc(c2)F)[N+](=O)[O-]	P04626	P00533	4.775985188627136	4.905878404159439	0.12989321553230315	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2cccc(c2)OC)[N+](=O)[O-]	P04626	P00533	4.725380380908762	4.857923538926715	0.13254315801795347	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2cccc(c2)[N+](=O)[O-])[N+](=O)[O-]	P04626	P00533	4.713543530253017	4.837734385701978	0.12419085544896102	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2cccc3c2cccc3)[N+](=O)[O-]	P04626	P00533	5.298432014944073	5.411168274405793	0.1127362594617205	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccccc2)[N+](=O)[O-]	P04626	P00533	4.96738123914928	5.106238237942057	0.13885699879277613	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccccc2Br)[N+](=O)[O-]	P04626	P00533	4.3482375526198895	4.614036429399302	0.26579887677941283	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccccc2Cl)[N+](=O)[O-]	P04626	P00533	4.4383024673460065	4.681727919788373	0.24342545244236646	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccccc2F)[N+](=O)[O-]	P04626	P00533	4.384470776362868	4.572838597074035	0.18836782071116698	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)C=Cc2ccccc2[N+](=O)[O-])[N+](=O)[O-]	P04626	P00533	4.3979400086720375	4.6020599913279625	0.20411998265592501	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)Br)[N+](=O)[O-]	P04626	P00533	5.462180904926726	5.384024712358336	0.07815619256838957	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)C(F)(F)F)[N+](=O)[O-]	P04626	P00533	6.292429823902063	6.553013760177912	0.2605839362758484	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)Cl)[N+](=O)[O-]	P04626	P00533	5.3872161432802645	5.132266323791874	0.2549498194883908	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)F)[N+](=O)[O-]	P04626	P00533	5.39040559077478	5.299147963990723	0.09125762678405636	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)I)[N+](=O)[O-]	P04626	P00533	5.560667306169737	5.89931430317063	0.3386469970008932	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)OC)[N+](=O)[O-]	P04626	P00533	4.763210900590707	5.068270991741551	0.3050600911508443	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccc(cc4)[N+](=O)[O-])[N+](=O)[O-]	P04626	P00533	5.686132779630847	6.22142572481177	0.535292945180923	Same Family
[P00533, P04626]	Cc1ncc(n1CCOC(=O)c2ccc(cc2)C3CC(=NN3C(=O)C)c4ccccc4)[N+](=O)[O-]	P04626	P00533	4.852632892206214	5.018317162059404	0.16568426985319018	Same Family
[P00533, P04626]	Cn1c2cccc(c2cn1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4	P04626	P00533	8.67778070526608	7.443697499232713	1.2340832060333673	Same Family
[P00533, P04626]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.1700533040583645	8.527243550682787	2.3571902466244223	Same Family
[P00533, P04626]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)cccn5	P04626	P00533	6.058488567365597	7.355561410532162	1.297072843166565	Same Family
[P00533, P04626]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)C#C	P04626	P00533	6.229147988357856	8.446116973356126	2.21696898499827	Same Family
[P00533, P04626]	Cn1ccnc1S(=O)(=O)CCNCc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)C(F)(F)F)OCc6cccc(c6)F	P04626	P00533	7.585026652029182	7.769551078621726	0.1845244265925441	Same Family
[P00533, P04626]	Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OC)NC(=O)C=CCN(C)C	P04626	P00533	6.809668301829708	7.3872161432802645	0.5775478414505564	Same Family
[P00533, P04626]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P04626	P00533	5.479018918580702	6.1257501772215965	0.6467312586408944	Same Family
[P00533, P04626]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P04626	P00533	5.668167955563751	6.211831628858833	0.5436636732950815	Same Family
[P00533, P04626]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P00533	5.450996737974212	6.161150909262744	0.710154171288532	Same Family
[P00533, P04626]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P04626	P00533	5.154901959985743	5.698970004336019	0.5440680443502757	Same Family
[P00533, P04626]	c1cc(c(cc1C=C(C#N)C(=S)N)O)O	P04626	P00533	5.2441251443275085	5.702803724812286	0.4586785804847775	Same Family
[P00533, P04626]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P00533	5.6777807052660805	5.886056647693163	0.20827594242708258	Same Family
[P00533, P04626]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P00533	5.6777807052660805	6.221848749616356	0.5440680443502757	Same Family
[P00533, P04626]	c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl	P04626	P00533	4.561774192395471	4.533785052670012	0.02798913972545858	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3c(ccn3CCO)ncn2)Cl)Oc4ccc5c(c4)C(=O)NC5	P04626	P00533	8.886056647693163	8.10790539730952	0.7781512503836439	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3c(ccn3CCO)ncn2)Cl)Oc4ccc5c(c4)CC(=O)N5	P04626	P00533	7.552841968657781	6.017728766960432	1.5351132016973486	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3c(ccn3CCO)ncn2)Cl)Oc4ccc5c(c4)CNC5=O	P04626	P00533	7.7447274948966935	6.292429823902063	1.4522976709946303	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3c(ccn3CCO)ncn2)Cl)Oc4ccc5c(c4)NC(=O)C5	P04626	P00533	6.886056647693163	5.638272163982407	1.2477844837107561	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3c(ccn3ncn2)CN4CCC(CC4)N)Cl)OCc5cnccn5	P04626	P00533	7.585026652029182	7.494850021680094	0.09017663034908807	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OC4CCOC4)NC(=O)C(=CCN5CCOCC5)F)Cl)F	P04626	P00533	5.802995271976954	9.292513326014591	3.489518054037637	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OC4CCOC4)NC(=O)NCCN5CCCC5)Cl)F	P04626	P00533	6.950781977329818	7.167491087293763	0.21670910996394532	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCC(F)F)NC(=O)C=CCN4CCCCC4)Cl)F	P04626	P00533	6.611916568616351	8.005682847330363	1.3937662787140113	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)C=CCN5CCCCC5)Cl)F	P04626	P00533	7.07546228222451	7.945004138470859	0.8695418562463484	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCCCC4)Cl)F	P04626	P00533	8.68837535480105	8.706144517490543	0.017769162689493356	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Br)F	P04626	P00533	9.227965977824862	8.585348113584487	0.6426178642403748	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Cl)F	P04626	P00533	8.698970004336019	8.815392071294928	0.11642206695890955	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCN4CCOCC4)Cl)F	P04626	P00533	7.621301985603488	8.181255135243745	0.5599531496402577	Same Family
[P00533, P04626]	c1cc(c(cc1Nc2c3cc(sc3ncn2)NC(=O)C=CCN4CC5CCC4C(=O)C5)Cl)F	P04626	P00533	7.522878745280337	9.045757490560675	1.5228787452803374	Same Family
[P00533, P04626]	c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	P04626	P00533	5.69139290603168	5.26874171439487	0.42265119163681053	Same Family
[P00533, P04626]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	P04626	P00533	5.346787486224656	5.5376020021010435	0.19081451587638742	Same Family
[P00533, P04626]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4	P04626	P00533	8.221848749616356	8.05551732784983	0.16633142176652527	Same Family
[P00533, P04626]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P04626	P00533	7.619788758288394	7.443697499232713	0.17609125905568046	Same Family
[P00533, P04626]	c1cc(c2cnsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCNC(=O)C6CCCN6)ncn4	P04626	P00533	9.036212172654444	8.522878745280337	0.513333427374107	Same Family
[P00533, P04626]	c1cc(c2cnsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4	P04626	P00533	8.67778070526608	8.387216143280265	0.29056456198581593	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)CC(=O)NS(=O)(=O)c2ccc(cc2)Br	P04626	P00533	4.562566556202029	4.613857891069181	0.05129133486715265	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)CC(=O)NS(=O)(=O)c2ccc(cc2)Cl	P04626	P00533	4.62967199222049	4.672028376376989	0.04235638415649934	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)CC(=O)NS(=O)(=O)c2ccc(cc2)F	P04626	P00533	4.689306687656639	4.727694155597914	0.038387467941274345	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)Nc2c3cc(ccc3ncn2)NCc4ccc5c(c4)OCCCO5	P04626	P00533	5.318758762624412	7.008773924307505	1.6900151616830925	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)Nc2c3cc(ncc3ncn2)NC(=O)C=CC(=O)NCCCN4CCOCC4	P04626	P00533	8.301029995663981	8.05551732784983	0.24551266781415038	Same Family
[P00533, P04626]	c1cc(cc(c1)Br)Nc2c3cc(ncc3ncn2)NC(=O)C=CC(=O)NCCCn4ccnc4	P04626	P00533	8.09151498112135	7.853871964321762	0.23764301679958777	Same Family
[P00533, P04626]	c1cc(cc(c1)Cl)Nc2c3cc(ccc3ncn2)NCc4ccc5c(c4)OCO5	P04626	P00533	5.187086643357144	6.2441251443275085	1.0570385009703642	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2)Nc3c4cc(ncc4ncn3)c5ccc(o5)CN6CC[S+](CC6)[O-]	P04626	P00533	7.6777807052660805	7.638272163982407	0.03950854128367354	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2C(F)(F)F)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CC[S+](CC6)[O-]	P04626	P00533	6.85078088734462	7.050609993355087	0.19982910601046644	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4cc[nH]n4	P04626	P00533	7.180456064458132	7.376750709602099	0.19629464514396755	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4ccc(cc4)N	P04626	P00533	7.443697499232713	7.522878745280337	0.07918124604762422	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4ccc(o4)CO	P04626	P00533	7.327902142064283	7.481486060122113	0.15358391805783	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4cccc(c4)N	P04626	P00533	7.356547323513813	7.376750709602099	0.0202033860882862	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4cccc(n4)CN	P04626	P00533	7.42021640338319	7.6777807052660805	0.2575643018828906	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4cccc(n4)CO	P04626	P00533	7.886056647693163	7.3979400086720375	0.48811663902112556	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4cccnc4	P04626	P00533	6.853871964321762	7.130768280269024	0.27689631594726194	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4ccnc(n4)N	P04626	P00533	7.920818753952375	7.494850021680094	0.42596873227228116	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4csc(n4)CO	P04626	P00533	6.795880017344075	7.119186407719209	0.32330639037513365	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c(cncn3)C#Cc4ncccn4	P04626	P00533	7.221848749616356	7.113509274827518	0.10833947478883843	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4c(cc([nH]4)C(=O)NCCN5CCCC5)cnn3	P04626	P00533	6.2076083105017466	4.8198741248359465	1.3877341856658	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	P04626	P00533	7.494850021680094	7.42021640338319	0.07463361829690385	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCCNCC5	P04626	P00533	7.3872161432802645	7.318758762624412	0.06845738065585216	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)COCC5CNCCO5	P04626	P00533	6.251811972993799	6.251811972993799	0.0	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)NC(=S)NCCN5CCCCC5	P04626	P00533	7.391473966422806	6.528708288941061	0.8627656774817449	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)NC=C(C#N)C#N	P04626	P00533	5.565431095965802	6.351639989019068	0.7862088930532662	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CCNCC6	P04626	P00533	7.910094888560602	7.966576244513051	0.05648135595244863	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CCOCC6	P04626	P00533	7.882728704344236	7.585026652029182	0.29770205231505376	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CC[S+](CC6)[O-]	P04626	P00533	7.7447274948966935	7.552841968657781	0.19188552623891297	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CNCCS(=O)(=O)CC(F)(F)F	P04626	P00533	8.065501548756432	7.755533664384005	0.3099678843724263	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CNCCS(=O)(=O)N	P04626	P00533	8.4089353929735	8.266803476819323	0.14213191615417742	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)N	P04626	P00533	6.252588192113577	6.325138859262188	0.07255066714861158	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)NC(=O)C=Cc5ccc(cc5)F	P04626	P00533	5.888401475119606	6.085656842880559	0.19725536776095343	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)NC(=O)CC#N	P04626	P00533	7.42021640338319	7.318758762624412	0.1014576407587775	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)NC(=O)COc5cc(c(c(c5)F)F)F	P04626	P00533	5.669992299127241	6.142064735280571	0.47207243615333017	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)NC(=O)Cc5cc(c(cc5F)F)F	P04626	P00533	6.078833949362261	6.202732459169283	0.123898509807022	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)Nc5cc(ncn5)N	P04626	P00533	7.376750709602099	7.214670164989233	0.16208054461286636	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3cc(ncn3)Oc4cccc(c4)[N+](=O)[O-]	P04626	P00533	5.616005210558267	5.919373513078194	0.3033683025199272	Same Family
[P00533, P04626]	c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3ccncn3	P04626	P00533	4.6777807052660805	6.494850021680094	1.8170693164140133	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)C=NN5CCCCC5	P04626	P00533	7.287232889750868	7.522878745280337	0.23564585552946937	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)C=NN5CCN(CC5)CCO	P04626	P00533	7.682258126592544	8.045757490560675	0.3634993639681312	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(=O)NCC6	P04626	P00533	6.1249387366083	6.619788758288394	0.49485002168009373	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(C6)N	P04626	P00533	7.219449308175472	7.261439372640169	0.041990064464696886	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)C(=O)N	P04626	P00533	6.508638306165727	6.853871964321762	0.3452336581560349	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)C(=O)O	P04626	P00533	6.958607314841775	6.657577319177793	0.30102999566398125	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)CN	P04626	P00533	7.42021640338319	7.455931955649724	0.035715552266534445	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)N	P04626	P00533	7.638272163982407	7.455931955649724	0.1823402083326826	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)NC(=O)CO	P04626	P00533	6.920818753952375	6.958607314841775	0.03778856088939975	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)NCCO	P04626	P00533	7.508638306165727	7.318758762624412	0.18987954354131453	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)O	P04626	P00533	7.200659450546419	7.167491087293763	0.033168363252655375	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCCC6	P04626	P00533	6.443697499232713	6.301029995663981	0.14266750356873192	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCCNCC6	P04626	P00533	7.568636235841013	7.481486060122113	0.08715017571890016	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCNC(=O)C6	P04626	P00533	6.698970004336019	6.455931955649724	0.24303804868629442	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCNCC(=O)C6	P04626	P00533	7.4089353929735005	6.107905397309519	1.3010299956639813	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCNCC(C6)O	P04626	P00533	7.457533212531642	7.1419983281826	0.31553488434904153	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCNCC6	P04626	P00533	7.0915149811213505	7.045757490560675	0.045757490560675684	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CNC6CCNCC6	P04626	P00533	7.119186407719209	6.958607314841775	0.160579092877434	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CNCCO	P04626	P00533	7.327902142064283	7.346787486224656	0.01888534416037313	Same Family
[P00533, P04626]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)COCC6CNCCO6	P04626	P00533	7.240743030061056	7.214670164989233	0.02607286507182316	Same Family
[P00533, P04626]	c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCO)ncn3)C(F)(F)F	P04626	P00533	7.920818753952375	7.468521082957745	0.45229767099463025	Same Family
[P00533, P04626]	c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ncn3)NCCC(=C4)C(=O)NCCO)C(F)(F)F	P04626	P00533	7.5376020021010435	7.42021640338319	0.11738559871785359	Same Family
[P00533, P04626]	c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)NC(=O)N)C(F)(F)F	P04626	P00533	7.113509274827518	8.397940008672037	1.2844307338445198	Same Family
[P00533, P04626]	c1cc(ccc1C(=O)Nc2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F)NC(=O)N	P04626	P00533	6.560667306169737	8.045757490560675	1.4850901843909377	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br)Br	P04626	P00533	5.437707135543525	5.692503962086787	0.2547968265432621	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br)Cl	P04626	P00533	5.231361898752385	5.3851027839668655	0.15374088521448037	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br)F	P04626	P00533	5.089375595110798	5.188424994129407	0.09904939901860832	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl)Br	P04626	P00533	5.4156687756324695	5.642065152999546	0.22639637736707652	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl)Cl	P04626	P00533	5.001740661576301	5.088309841246139	0.08656917966983801	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl)F	P04626	P00533	4.784626847216578	4.8474059220725305	0.06277907485595247	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F)Br	P04626	P00533	5.204815410317576	5.319664486585437	0.1148490762678609	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F)Cl	P04626	P00533	4.8807441107220635	4.961777361631282	0.08103325090921842	Same Family
[P00533, P04626]	c1cc(ccc1C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F)F	P04626	P00533	4.741841806659206	4.771599641296995	0.029757834637789138	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Br)Br	P04626	P00533	4.702677285794698	4.762959208620809	0.060281922826111334	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Br)Cl	P04626	P00533	4.867740310468956	4.947306058075032	0.07956574760607626	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Br)F	P04626	P00533	5.087246696328677	5.193141970481182	0.10589527415250544	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Cl)Br	P04626	P00533	4.722620025332746	4.79805693659835	0.07543691126560415	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Cl)Cl	P04626	P00533	4.875495775165718	4.985479461242076	0.10998368607635811	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)Cl)F	P04626	P00533	5.121478204498794	5.226945306635737	0.10546710213694332	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)F)Br	P04626	P00533	4.788879458741951	4.837734385701978	0.048854926960027356	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)F)Cl	P04626	P00533	4.95663772197887	5.018181392829336	0.06154367085046619	Same Family
[P00533, P04626]	c1cc(ccc1CC(=O)NS(=O)(=O)c2ccc(cc2)F)F	P04626	P00533	5.153662887870195	5.286509456906058	0.13284656903586267	Same Family
[P00533, P04626]	c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	P04626	P00533	4.856860240895409	4.489401376500078	0.3674588643953305	Same Family
[P00533, P04626]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P04626	P00533	5.224025668870631	5.5247647773958715	0.30073910852524044	Same Family
[P00533, P04626]	c1cc(cnc1)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	P04626	P00533	7.443697499232713	6.823908740944319	0.6197887582883945	Same Family
[P00533, P04626]	c1cc(cnc1)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)N	P04626	P00533	7.468521082957745	6.721246399047171	0.7472746839105735	Same Family
[P00533, P04626]	c1cc(cnc1)N2C3=C(C(C(=C2N)C#N)c4cc5cc(ccc5n6c4nnn6)Cl)C(=O)CCC3	P04626	P00533	4.714442690992226	4.73754891026957	0.02310621927734413	Same Family
[P00533, P04626]	c1cc2c(c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4)C(=O)NC2	P04626	P00533	8.602059991327963	7.6777807052660805	0.924279286061882	Same Family
[P00533, P04626]	c1cc2c(c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4)CC(=O)N2	P04626	P00533	8.795880017344075	8.522878745280337	0.2730012720637376	Same Family
[P00533, P04626]	c1cc2c(c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4)CNC2=O	P04626	P00533	6.823908740944319	6.050609993355088	0.773298747589231	Same Family
[P00533, P04626]	c1cc2c(c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4)NC(=O)C2	P04626	P00533	8.823908740944319	8.55284196865778	0.2710667722865381	Same Family
[P00533, P04626]	c1cc2c(cc(c(c2nc1)O)I)I	P04626	P00533	5.066664589922349	5.7237680420781665	0.6571034521558179	Same Family
[P00533, P04626]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P00533	5.552841968657781	5.823908740944319	0.2710667722865381	Same Family
[P00533, P04626]	c1cc2c(cc1NC(=O)C#CCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	8.378729285850808	8.34518491628705	0.03354436956375828	Same Family
[P00533, P04626]	c1cc2c(cc1NC(=O)C#CCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P00533	6.642416321075771	7.287069927461079	0.6446536063853081	Same Family
[P00533, P04626]	c1cc2c(cc1NC(=O)N)c(ncn2)Nc3ccc(c(c3)Cl)Oc4ccc(c(c4)Cl)Cl	P04626	P00533	6.151195298948196	6.265200170411153	0.11400487146295646	Same Family
[P00533, P04626]	c1cc2c(cc1Nc3c4c(ccn4ncn3)CN5CCC(CC5)N)cnn2Cc6ccncc6	P04626	P00533	6.721246399047171	6.275724130399211	0.4455222686479603	Same Family
[P00533, P04626]	c1cc2c(cc1c3cnn(c3)C4CCNCC4)c(ncn2)Nc5ccc(c(c5)Cl)F	P04626	P00533	5.92009553233328	7.496209316942819	1.5761137846095394	Same Family
[P00533, P04626]	c1cc2c(cc[nH]2)c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4	P04626	P00533	8.602059991327963	8.508638306165727	0.09342168516223559	Same Family
[P00533, P04626]	c1cc2c(cn[nH]2)c(c1)Oc3ccc(cc3Cl)Nc4c5c(ccn5CCO)ncn4	P04626	P00533	8.769551078621726	8.721246399047171	0.048304679574554754	Same Family
[P00533, P04626]	c1cc2cc(ccc2nc1)Nc3c4cc(ccc4ncn3)c5cnn(c5)C6CCNCC6	P04626	P00533	5.8696662315049934	7.549750891680639	1.6800846601756456	Same Family
[P00533, P04626]	c1cc[n+](c(c1)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N)[O-]	P04626	P00533	7.7447274948966935	7.154901959985743	0.5898255349109505	Same Family
[P00533, P04626]	c1ccc(c(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F)N	P04626	P00533	7.040958607678906	7.200659450546419	0.15970084286751263	Same Family
[P00533, P04626]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P04626	P00533	7.4089353929735005	7.481486060122113	0.07255066714861247	Same Family
[P00533, P04626]	c1ccc(cc1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	6.107905397309519	7.102372908709558	0.994467511400039	Same Family
[P00533, P04626]	c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	P04626	P00533	4.177799218965471	4.158509134666999	0.01929008429847201	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Br)C4=NC(=O)CS4	P04626	P00533	5.515700160653214	5.8696662315049934	0.35396607085177934	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)Cl)C4=NC(=O)CS4	P04626	P00533	5.316052869248487	5.45717457304082	0.1411217037923329	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)F)C4=NC(=O)CS4	P04626	P00533	5.197226274708024	5.313363730737707	0.11613745602968262	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P04626	P00533	5.244887733604929	5.521433504406157	0.2765457708012278	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P04626	P00533	5.723538195826756	6.619788758288394	0.8962505624616375	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P04626	P00533	5.140261433802853	5.651695136951839	0.5114337031489864	Same Family
[P00533, P04626]	c1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P04626	P00533	5.416801226031377	5.598599459218456	0.1817982331870791	Same Family
[P00533, P04626]	c1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Br	P04626	P00533	5.3124710387853655	5.494850021680094	0.1823789828947282	Same Family
[P00533, P04626]	c1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)Cl	P04626	P00533	5.151810883008602	5.272458742971444	0.12064785996284222	Same Family
[P00533, P04626]	c1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccc(cc4)F	P04626	P00533	4.9775716288145135	5.089375595110798	0.11180396629628486	Same Family
[P00533, P04626]	c1ccc(cc1)C2CC(=NN2C3=NC(=O)CS3)c4ccccc4	P04626	P00533	5.29073003902417	5.471083299722345	0.18035326069817526	Same Family
[P00533, P04626]	c1ccc(cc1)C=CC(=O)Nc2cccc(c2)Oc3cc(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	5.42712839779952	5.777023550106609	0.3498951523070888	Same Family
[P00533, P04626]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc7c(c6)CCNC7	P04626	P00533	6.920818753952375	6.0	0.9208187539523749	Same Family
[P00533, P04626]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6cccc(c6)N7CCOCC7	P04626	P00533	6.167491087293763	6.214670164989233	0.047179077695469473	Same Family
[P00533, P04626]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P04626	P00533	5.876475019057268	5.997833938243493	0.12135891918622477	Same Family
[P00533, P04626]	c1ccc(cc1)COc2ccc(cc2Cl)Nc3c4c5ccccn5nc4ncn3	P04626	P00533	6.698970004336019	7.300509466670935	0.601539462334916	Same Family
[P00533, P04626]	c1ccc(cc1)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CC[S+](CC6)[O-]	P04626	P00533	7.638272163982407	7.920818753952375	0.28254658996996795	Same Family
[P00533, P04626]	c1ccc(cc1)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CNCCCCS(=O)(=O)c6ccccc6	P04626	P00533	7.42021640338319	7.301029995663981	0.11918640771920863	Same Family
[P00533, P04626]	c1ccc(cc1)COc2ccc(cc2F)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN6CC[S+](CC6)[O-]	P04626	P00533	7.455931955649724	7.795880017344075	0.33994806169435066	Same Family
[P00533, P04626]	c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)Nc4c5c6ccccn6nc5ncn4	P04626	P00533	5.801342913045578	5.300081238289086	0.501261674756492	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	P04626	P00533	5.991399828238082	7.301029995663981	1.3096301674258992	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4cccc5c4cccc5	P04626	P00533	5.703334809738469	6.853871964321762	1.1505371545832928	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)Br)c4ccc5ccccc5c4	P04626	P00533	5.892790030352131	6.1487416512809245	0.2559516209287933	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)Br)c4cccc5c4cccc5	P04626	P00533	5.634512015109101	6.309803919971486	0.6752919048623856	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)Cl)c4ccc5ccccc5c4	P04626	P00533	5.835647144215563	6.958607314841775	1.1229601706262118	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)Cl)c4cccc5c4cccc5	P04626	P00533	5.512861624522814	6.167491087293763	0.6546294627709495	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)F)c4ccc5ccccc5c4	P04626	P00533	5.696803942579511	6.522878745280337	0.826074802700826	Same Family
[P00533, P04626]	c1ccc(cc1)N2C(CC(=N2)c3ccc(cc3)F)c4cccc5c4cccc5	P04626	P00533	5.444905551421681	5.97061622231479	0.5257106708931092	Same Family
[P00533, P04626]	c1ccc(cc1)OCC(=O)Nc2cccc(c2)Oc3cc(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	P04626	P00533	7.102372908709558	7.187086643357144	0.08471373464758614	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)CCNCc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.522878745280337	7.721246399047171	0.19836765376683374	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)CCOCc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)Cl)OCc6cccc(c6)F	P04626	P00533	7.552841968657781	7.6020599913279625	0.04921802267018194	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)Br	P04626	P00533	4.720105019988362	4.749336080536756	0.029231060548394083	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)Cl	P04626	P00533	4.883724412419456	4.924088238517222	0.04036382609776634	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)NC(=O)Cc2ccc(cc2)F	P04626	P00533	5.075204004202088	5.17134010346468	0.09613609926259237	Same Family
[P00533, P04626]	c1ccc(cc1)S(=O)(=O)NC(=O)Cc2cccc(c2)Br	P04626	P00533	4.579549140893932	4.6076548446387955	0.02810570374486332	Same Family
[P00533, P04626]	c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO	P04626	P00533	4.708409174341999	4.396779821991733	0.31162935235026623	Same Family
[P00533, P04626]	c1ccc2c(c1)c(c[nH]2)CC(=O)NNC(=S)Nc3c(cccn3)Br	P04626	P00533	4.907630300370879	5.071092309756048	0.1634620093851682	Same Family
[P00533, P04626]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P04626	P00533	5.886056647693163	6.568636235841013	0.68257958814785	Same Family
[P00533, P04626]	c1ccc2c(c1)cc(c3n2nnn3)C4C(=C(N(C5=C4C(=O)CCC5)c6cccnc6)N)C#N	P04626	P00533	5.2839966563652006	5.318758762624412	0.034762106259211834	Same Family
[P00533, P04626]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P00533	5.113509274827518	5.337242168318426	0.22373289349090797	Same Family
[P00533, P04626]	c1ccc2c(c1)cccc2C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P04626	P00533	5.164943898279883	6.6777807052660805	1.512836806986197	Same Family
[P00533, P04626]	c1ccc2c(c1)cccc2C3CC(=NN3C(=S)N)c4ccc(cc4)Br	P04626	P00533	5.0385789059335515	5.245651664288981	0.20707275835542927	Same Family
[P00533, P04626]	c1ccc2c(c1)cccc2C3CC(=NN3C(=S)N)c4ccc(cc4)Cl	P04626	P00533	5.262807357295263	6.026872146400302	0.7640647891050385	Same Family
[P00533, P04626]	c1ccc2c(c1)cccc2C3CC(=NN3C(=S)N)c4ccc(cc4)F	P04626	P00533	4.973466735476703	5.0835460514500745	0.11007931597337173	Same Family
[P00533, P04626]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P04626	P00533	6.055517327849832	6.180456064458132	0.1249387366082999	Same Family
[P00533, P04626]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(cc4)Br	P04626	P00533	5.91721462968355	6.455931955649724	0.5387173259661742	Same Family
[P00533, P04626]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(cc4)Cl	P04626	P00533	5.412289034981089	6.275724130399211	0.8634350954181222	Same Family
[P00533, P04626]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(cc4)F	P04626	P00533	5.756961951313706	5.484126156288321	0.2728357950253848	Same Family
[P00533, P04626]	c1ccnc(c1)C#Cc2cncnc2Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	P04626	P00533	7.259637310505756	7.769551078621726	0.50991376811597	Same Family
[P00533, P04626]	c1ccnc(c1)COc2ccc(cc2Cl)Nc3c4c(cccc4OC5CCOCC5)ncn3	P04626	P00533	7.619788758288394	5.619788758288394	2.0	Same Family
[P00533, P04626]	c1ccnc(c1)COc2ccc(cc2Cl)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	P04626	P00533	7.657577319177793	7.443697499232713	0.2138798199450802	Same Family
[P00533, P04626]	c1ccnc(c1)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)NC=C(C#N)C#N	P04626	P00533	5.096910013008056	5.515700160653214	0.4187901476451579	Same Family
[P00533, P04626]	c1ccnc(c1)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)CN6CCC(CC6)N	P04626	P00533	7.455931955649724	7.327902142064283	0.1280298135854414	Same Family
[P00533, P04626]	c1ccnc(c1)S(=O)(=O)CCNCc2ccc(o2)c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5)C(F)(F)F)OCc6cccc(c6)F	P04626	P00533	7.522878745280337	7.721246399047171	0.19836765376683374	Same Family
[P04626, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	Q96GD4	4.6020599913279625	4.366531544420414	0.2355284469075487	Different Group
[P04626, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	Q96GD4	6.939302159646388	8.564089641766962	1.6247874821205741	Different Group
[P04626, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	Q96GD4	4.4430283238465815	4.685805534974844	0.24277721112826267	Different Group
[P04626, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	Q96GD4	4.431798275933005	4.698970004336019	0.26717172840301373	Different Group
[P04626, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	Q96GD4	5.450996737974212	5.6020599913279625	0.15106325335375015	Different Group
[P04626, Q96GD4]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P04626	Q96GD4	5.154901959985743	5.5376020021010435	0.3827000421153004	Different Group
[P04626, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	Q96GD4	5.6777807052660805	6.301029995663981	0.6232492903979008	Different Group
[P04626, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	Q96GD4	5.6777807052660805	5.638272163982407	0.03950854128367354	Different Group
[P04626, Q96GD4]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	P04626	Q96GD4	5.346787486224656	5.795880017344075	0.44909253111941894	Different Group
[P04626, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	Q96GD4	5.552841968657781	5.585026652029182	0.032184683371401235	Different Group
[P04626, P06239]	CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P06239	7.795880017344075	5.913640169325252	1.8822398480188234	Different Family
[P04626, P06239]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCCCS(=O)(=O)C	P04626	P06239	5.275724130399211	5.292429823902063	0.016705693502852448	Different Family
[P04626, P06239]	CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	P04626	P06239	5.604673606930649	4.496032367783781	1.108641239146868	Different Family
[P04626, P06239]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P04626	P06239	5.530325227448202	5.095122233036595	0.4352029944116067	Different Family
[P04626, P06239]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P04626	P06239	5.726304412069908	5.497299824689438	0.22900458738047025	Different Family
[P04626, P06239]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P04626	P06239	4.883259464547056	4.70071066591232	0.18254879863473583	Different Family
[P04626, P06239]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P04626	P06239	5.607654844638796	5.903437561625864	0.29578271698706793	Different Family
[P04626, P06239]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P04626	P06239	4.767003889607846	6.467245621007502	1.7002417313996565	Different Family
[P04626, P06239]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P04626	P06239	6.301029995663981	9.0	2.6989700043360187	Different Family
[P04626, P06239]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P04626	P06239	6.1487416512809245	9.397940008672037	3.249198357391113	Different Family
[P04626, P06239]	Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P04626	P06239	5.096910013008056	6.301029995663981	1.204119982655925	Different Family
[P04626, P06239]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P04626	P06239	5.479018918580702	5.613947151059611	0.1349282324789085	Different Family
[P04626, P06239]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P04626	P06239	5.668167955563751	5.64685345378602	0.021314501777730754	Different Family
[P04626, P06239]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P04626	P06239	7.619788758288394	5.494850021680094	2.1249387366083	Different Family
[P04626, P06239]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P04626	P06239	5.224025668870631	5.299729062643563	0.07570339377293234	Different Family
[P04626, P06239]	c1cc2c(cc(c(c2nc1)O)I)I	P04626	P06239	5.066664589922349	5.608888386297197	0.5422237963748486	Different Family
[P04626, P06239]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P04626	P06239	5.876475019057268	5.5395532161192795	0.33692180293798835	Different Family
[P04626, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P12931	4.6020599913279625	5.356547323513812	0.7544873321858496	Different Family
[P04626, P12931]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P04626	P12931	7.1249387366083	5.7617029321246065	1.3632358044836934	Different Family
[P04626, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P04626	P12931	7.221848749616356	6.537602002101044	0.6842467475153118	Different Family
[P04626, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P12931	4.4430283238465815	4.68837535480105	0.24534703095446808	Different Family
[P04626, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P04626	P12931	4.443697499232712	5.040958607678906	0.5972611084461938	Different Family
[P04626, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	P12931	4.431798275933005	4.309803919971486	0.12199435596151886	Different Family
[P04626, P12931]	C[S+](c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)[O-]	P04626	P12931	4.723630119730561	5.301029995663981	0.5773998759334207	Different Family
[P04626, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P04626	P12931	6.1487416512809245	9.41195437047216	3.263212719191235	Different Family
[P04626, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P12931	5.450996737974212	6.096910013008056	0.6459132750338439	Different Family
[P04626, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P12931	5.6777807052660805	5.721246399047171	0.043465693781090664	Different Family
[P04626, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P12931	5.6777807052660805	6.154901959985743	0.4771212547196626	Different Family
[P04626, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P12931	5.552841968657781	5.698970004336019	0.14612803567823818	Different Family
[P04626, P12931]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P04626	P12931	5.886056647693163	5.517126416391246	0.36893023130191693	Different Family
[P04626, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P12931	5.113509274827518	5.42021640338319	0.30670712855567217	Different Family
[P04626, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	Q05397	4.6020599913279625	4.552841968657781	0.04921802267018194	Different Family
[P04626, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	Q05397	4.4430283238465815	6.1001574545454496	1.657129130698868	Different Family
[P04626, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P04626	Q05397	4.443697499232712	4.3979400086720375	0.045757490560674796	Different Family
[P04626, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	Q05397	4.431798275933005	4.366531544420414	0.06526673151259121	Different Family
[P04626, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P04626	Q05397	5.3788237182249645	4.866461091629782	0.5123626265951824	Different Family
[P04626, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P04626	Q05397	5.521433504406157	4.987162775294828	0.5342707291113289	Different Family
[P04626, Q05397]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P04626	Q05397	4.767003889607846	6.823908740944319	2.0569048513364727	Different Family
[P04626, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P04626	Q05397	5.982966660701219	4.542118103266008	1.4408485574352117	Different Family
[P04626, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P04626	Q05397	5.94692155651658	4.939302159646388	1.0076193968701919	Different Family
[P04626, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	Q05397	5.450996737974212	5.507239610973163	0.05624287299895059	Different Family
[P04626, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	Q05397	5.6777807052660805	5.6777807052660805	0.0	Different Family
[P04626, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	Q05397	5.6777807052660805	5.455931955649724	0.22184874961635614	Different Family
[P04626, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	Q05397	5.552841968657781	5.136677139879544	0.41616482877823646	Different Family
[P04626, Q05397]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	P04626	Q05397	5.991399828238082	5.2076083105017466	0.7837915177363355	Different Family
[P04626, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	Q05397	5.113509274827518	5.356547323513812	0.24303804868629442	Different Family
[P04626, Q05397]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P04626	Q05397	6.055517327849832	5.00436480540245	1.0511525224473814	Different Family
[P04626, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P35968	4.6020599913279625	5.356547323513812	0.7544873321858496	Different Family
[P04626, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F	P04626	P35968	5.910271502837074	5.504316932383085	0.4059545704539893	Different Family
[P04626, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4	P04626	P35968	7.229147988357856	6.066411489803347	1.1627364985545094	Different Family
[P04626, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P04626	P35968	7.221848749616356	7.926935982160881	0.7050872325445248	Different Family
[P04626, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P04626	P35968	4.443697499232712	5.795880017344075	1.3521825181113627	Different Family
[P04626, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	P35968	4.431798275933005	5.823908740944319	1.3921104650113136	Different Family
[P04626, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Br	P04626	P35968	6.844663962534939	5.827105302247824	1.017558660287115	Different Family
[P04626, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	P35968	6.128744262091187	4.8297382846050425	1.2990059774861447	Different Family
[P04626, P35968]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P04626	P35968	5.3788237182249645	5.3872161432802645	0.008392425055300023	Different Family
[P04626, P35968]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P04626	P35968	5.521433504406157	5.468521082957745	0.05291242144841224	Different Family
[P04626, P35968]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P04626	P35968	4.767003889607846	5.853871964321762	1.0868680747139159	Different Family
[P04626, P35968]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P04626	P35968	5.982966660701219	5.6777807052660805	0.3051859554351388	Different Family
[P04626, P35968]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P04626	P35968	5.94692155651658	5.806875401645538	0.1400461548710421	Different Family
[P04626, P35968]	Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P04626	P35968	5.096910013008056	7.4051145218265635	2.3082045088185073	Different Family
[P04626, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P35968	5.450996737974212	6.102372908709558	0.6513761707353458	Different Family
[P04626, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P35968	5.6777807052660805	5.920818753952375	0.24303804868629442	Different Family
[P04626, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P35968	5.6777807052660805	6.221848749616356	0.5440680443502757	Different Family
[P04626, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P35968	5.552841968657781	5.886056647693163	0.3332146790353825	Different Family
[P04626, P35968]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	P04626	P35968	5.991399828238082	5.73754891026957	0.2538509179685118	Different Family
[P04626, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P35968	5.113509274827518	5.3872161432802645	0.27370686845274683	Different Family
[P04626, P35968]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P04626	P35968	6.055517327849832	5.494850021680094	0.560667306169738	Different Family
[P04626, Q15303]	C#CC(=O)Nc1cc2c(cn1)ncnc2Nc3cccc(c3)Br	P04626	Q15303	8.619788758288394	7.886056647693163	0.7337321105952306	Same Family
[P04626, Q15303]	C#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P04626	Q15303	8.721246399047171	8.769551078621726	0.048304679574554754	Same Family
[P04626, Q15303]	C=CC(=O)Nc1cc2c(ncnc2s1)Nc3ccc(c(c3)Cl)F	P04626	Q15303	7.3979400086720375	8.397940008672037	1.0	Same Family
[P04626, Q15303]	CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P04626	Q15303	7.769551078621726	7.920818753952375	0.151267675330649	Same Family
[P04626, Q15303]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5)N	P04626	Q15303	9.008773924307505	7.102372908709558	1.9064010155979467	Same Family
[P04626, Q15303]	CC(C)N(CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F)C(C)C	P04626	Q15303	7.443697499232713	6.269217724333611	1.174479774899102	Same Family
[P04626, Q15303]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	Q15303	6.939302159646388	7.548213564475709	0.6089114048293212	Same Family
[P04626, Q15303]	CCCCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	Q15303	7.983288122256525	8.148741651280925	0.16545352902440058	Same Family
[P04626, Q15303]	CCCCN(CCCC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	Q15303	6.834387609489633	7.136677139879544	0.3022895303899107	Same Family
[P04626, Q15303]	CCN(CC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P04626	Q15303	6.579783839821856	6.1911141326401875	0.38866970718166893	Same Family
[P04626, Q15303]	CCN(CC)CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	Q15303	7.731090452463363	6.508638306165727	1.2224521462976359	Same Family
[P04626, Q15303]	CCN(CC)CCC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P04626	Q15303	8.111649408005794	7.795880017344075	0.3157693906617194	Same Family
[P04626, Q15303]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P04626	Q15303	7.107905397309519	8.096910013008056	0.989004615698537	Same Family
[P04626, Q15303]	CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)Br	P04626	Q15303	6.667561540084395	7.301029995663981	0.6334684555795862	Same Family
[P04626, Q15303]	CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)I	P04626	Q15303	7.161150909262744	7.229147988357856	0.06799707909511188	Same Family
[P04626, Q15303]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P04626	Q15303	7.1249387366083	7.638272163982407	0.513333427374107	Same Family
[P04626, Q15303]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Br)F	P04626	Q15303	8.878480975656853	9.096910013008056	0.21842903735120345	Same Family
[P04626, Q15303]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Cl)F	P04626	Q15303	9.083937324331266	8.920818753952375	0.16311857037889155	Same Family
[P04626, Q15303]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P04626	Q15303	7.221848749616356	7.522878745280337	0.30102999566398125	Same Family
[P04626, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCC(CC3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	6.607092104706606	6.8326826652518236	0.22559056054521776	Same Family
[P04626, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCC(C3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	6.673438856035807	6.6311554931741785	0.04228336286162815	Same Family
[P04626, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	7.777283528852417	7.077430231014287	0.6998532978381293	Same Family
[P04626, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	7.065602559219012	7.383734594718292	0.31813203549928026	Same Family
[P04626, Q15303]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Br	P04626	Q15303	6.844663962534939	7.309803919971486	0.46513995743654757	Same Family
[P04626, Q15303]	Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)NC(=O)OCC6COCCN6	P04626	Q15303	7.657577319177793	6.721246399047171	0.9363309201306222	Same Family
[P04626, Q15303]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P04626	Q15303	7.721246399047171	8.259637310505756	0.5383909114585848	Same Family
[P04626, Q15303]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P04626	Q15303	8.154901959985743	8.481486060122112	0.32658410013636896	Same Family
[P04626, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F	P04626	Q15303	6.1700533040583645	6.096367483915762	0.07368582014260205	Same Family
[P04626, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)cccn5	P04626	Q15303	6.058488567365597	6.031517051446065	0.02697151591953162	Same Family
[P04626, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)C#C	P04626	Q15303	6.229147988357856	6.106793246940152	0.12235474141770464	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OC4CCOC4)NC(=O)NCCN5CCCC5)Cl)F	P04626	Q15303	6.950781977329818	7.920818753952375	0.9700367766225568	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCC(F)F)NC(=O)C=CCN4CCCCC4)Cl)F	P04626	Q15303	6.611916568616351	6.812479279163537	0.2005627105471861	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)C=CCN5CCCCC5)Cl)F	P04626	Q15303	7.07546228222451	7.211124884224583	0.13566260200007285	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCCCC4)Cl)F	P04626	Q15303	8.68837535480105	8.744727494896694	0.05635214009564393	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Br)F	P04626	Q15303	9.227965977824862	9.0	0.22796597782486216	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Cl)F	P04626	Q15303	8.698970004336019	9.0	0.30102999566398125	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCN4CCOCC4)Cl)F	P04626	Q15303	7.621301985603488	8.207608310501746	0.5863063248982581	Same Family
[P04626, Q15303]	c1cc(c(cc1Nc2c3cc(sc3ncn2)NC(=O)C=CCN4CC5CCC4C(=O)C5)Cl)F	P04626	Q15303	7.522878745280337	7.431798275933005	0.09108046934733238	Same Family
[P04626, Q15303]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P04626	Q15303	7.619788758288394	6.619788758288394	1.0	Same Family
[P04626, Q15303]	c1cc2c(cc1NC(=O)C#CCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	8.378729285850808	8.366531544420413	0.01219774143039487	Same Family
[P04626, Q15303]	c1cc2c(cc1NC(=O)C#CCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P04626	Q15303	6.642416321075771	6.640164517660112	0.002251803415659559	Same Family
[P04626, Q15303]	c1cc2c(cc1c3cnn(c3)C4CCNCC4)c(ncn2)Nc5ccc(c(c5)Cl)F	P04626	Q15303	5.92009553233328	5.795066477645856	0.12502905468742398	Same Family
[P04626, Q15303]	c1cc2cc(ccc2nc1)Nc3c4cc(ccc4ncn3)c5cnn(c5)C6CCNCC6	P04626	Q15303	5.8696662315049934	5.958607314841775	0.08894108333678119	Same Family
[P04626, P08581]	CC(C)(C#Cc1ccc(c(c1)c2c3cnc(nc3n[nH]2)Nc4ccc(cc4F)F)OC)N	P04626	P08581	5.301029995663981	5.823908740944319	0.5228787452803374	Different Family
[P04626, P08581]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	P08581	4.6020599913279625	4.5376020021010435	0.06445798922691903	Different Family
[P04626, P08581]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P04626	P08581	7.221848749616356	5.1938200260161125	2.0280287236002437	Different Family
[P04626, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	P08581	4.4430283238465815	4.455931955649724	0.012903631803142801	Different Family
[P04626, P08581]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	P08581	4.431798275933005	4.346787486224656	0.08501078970834897	Different Family
[P04626, P08581]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P04626	P08581	4.767003889607846	5.3124710387853655	0.5454671491775196	Different Family
[P04626, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	P08581	5.450996737974212	6.236572006437063	0.7855752684628508	Different Family
[P04626, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	P08581	5.6777807052660805	5.958607314841775	0.28082660957569416	Different Family
[P04626, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	P08581	5.6777807052660805	6.096910013008056	0.41912930774197577	Different Family
[P04626, P08581]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P04626	P08581	7.619788758288394	5.251811972993799	2.3679767852945943	Different Family
[P04626, P08581]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)COCC6CNCCO6	P04626	P08581	7.240743030061056	5.187086643357144	2.0536563867039117	Different Family
[P04626, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	P08581	5.552841968657781	5.552841968657781	0.0	Different Family
[P04626, P08581]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P04626	P08581	5.113509274827518	5.481486060122113	0.3679767852945952	Different Family
[P04626, Q13882]	CC(=O)c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)Cl	P04626	Q13882	5.939302159646388	7.886056647693163	1.9467544880467749	Different Family
[P04626, Q13882]	CC(=O)c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)N	P04626	Q13882	5.785156151952302	8.119186407719209	2.3340302557669066	Different Family
[P04626, Q13882]	CC(=O)c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)[N+](=O)[O-]	P04626	Q13882	6.009661145212399	7.6777807052660805	1.6681195600536816	Different Family
[P04626, Q13882]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	Q13882	6.939302159646388	6.255196516866139	0.6841056427802492	Different Family
[P04626, Q13882]	CCOc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCN(CC5)CCO	P04626	Q13882	5.185086818724926	6.319664486585437	1.134577667860511	Different Family
[P04626, Q13882]	CCOc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCNCC5	P04626	Q13882	6.239577516576788	7.585026652029182	1.3454491354523936	Different Family
[P04626, Q13882]	CCOc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCOCC5	P04626	Q13882	4.261219441515631	6.3872161432802645	2.1259967017646337	Different Family
[P04626, Q13882]	COc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)Br	P04626	Q13882	4.0400051616715835	6.730487055782084	2.6904818941105004	Different Family
[P04626, Q13882]	COc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCN(CC5)CCO	P04626	Q13882	6.161780778092374	8.036212172654444	1.8744313945620705	Different Family
[P04626, Q13882]	COc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCNCC5	P04626	Q13882	6.4089353929735005	8.318758762624412	1.909823369650912	Different Family
[P04626, Q13882]	COc1cccc(c1)Nc2ccnc3c2c4cc(ccc4[nH]3)S(=O)(=O)N5CCOCC5	P04626	Q13882	5.906578314837765	8.244125144327509	2.3375468294897432	Different Family
[P04626, Q13882]	c1cc(cc(c1)Cl)Nc2ccnc3c2c4cc(ccc4[nH]3)Br	P04626	Q13882	5.939302159646388	7.886056647693163	1.9467544880467749	Different Family
[P04626, Q13882]	c1cc(cc(c1)[N+](=O)[O-])Nc2ccnc3c2c4cc(ccc4[nH]3)Br	P04626	Q13882	5.054039296422431	8.387216143280265	3.3331768468578336	Different Family
[P04626, Q13882]	c1ccc(cc1)COc2cccc(c2)Nc3ccnc4c3c5cc(ccc5[nH]4)S(=O)(=O)N6CCOCC6	P04626	Q13882	4.548213564475709	7.259637310505756	2.7114237460300465	Different Family
[P04626, Q13882]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)Cl	P04626	Q13882	7.180456064458132	8.325604266219708	1.1451482017615762	Different Family
[P04626, Q13882]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P04626	Q13882	5.886056647693163	8.498269733945246	2.6122130862520834	Different Family
[O14965, P04626]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P04626	O14965	4.6020599913279625	4.522878745280337	0.07918124604762511	Different Group
[O14965, P04626]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04626	O14965	6.939302159646388	8.160579629225387	1.2212774695789985	Different Group
[O14965, P04626]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P04626	O14965	4.4430283238465815	5.135985522789741	0.6929571989431595	Different Group
[O14965, P04626]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P04626	O14965	4.431798275933005	5.187086643357144	0.7552883674241393	Different Group
[O14965, P04626]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P04626	O14965	5.450996737974212	5.605548319173784	0.15455158119957169	Different Group
[O14965, P04626]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P04626	O14965	5.154901959985743	5.769551078621726	0.6146491186359828	Different Group
[O14965, P04626]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P04626	O14965	5.6777807052660805	7.0	1.3222192947339195	Different Group
[O14965, P04626]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P04626	O14965	5.6777807052660805	5.585026652029182	0.09275405323689867	Different Group
[O14965, P04626]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	P04626	O14965	5.346787486224656	5.886056647693163	0.539269161468507	Different Group
[O14965, P04626]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P04626	O14965	5.552841968657781	5.4089353929735005	0.1439065756842801	Different Group
[O14965, P04626]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P04626	O14965	5.886056647693163	6.6020599913279625	0.7160033436347994	Different Group
[P00519, P06241]	CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P06241	P00519	8.67778070526608	6.319664486585437	2.3581162186806433	Different Family
[P00519, P06241]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P06241	P00519	5.910802209189103	5.9177536797931	0.006951470603997478	Different Family
[P00519, P06241]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P06241	P00519	7.42021640338319	6.935542010773082	0.48467439261010803	Different Family
[P00519, P06241]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P06241	P00519	7.95506845385084	7.273109859258178	0.6819585945926621	Different Family
[P00519, P06241]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P06241	P00519	5.259637310505756	5.481486060122113	0.22184874961635703	Different Family
[P00519, P06241]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P06241	P00519	6.422508200162775	7.657577319177793	1.2350691190150185	Different Family
[P00519, P06241]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P06241	P00519	7.040958607678906	6.42021640338319	0.6207422042957162	Different Family
[P00519, P06241]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P06241	P00519	7.568636235841013	6.8326826652518236	0.7359535705891895	Different Family
[P00519, P06241]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P06241	P00519	5.706858516549069	5.139721900247765	0.5671366163013039	Different Family
[P00519, P06241]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P06241	P00519	6.039529222465701	5.123493495734119	0.9160357267315815	Different Family
[P00519, P06241]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P06241	P00519	6.507239610973162	5.199076818186782	1.30816279278638	Different Family
[P00519, P06241]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06241	P00519	3.8013429130455774	3.899629454882437	0.0982865418368597	Different Family
[P00519, P06241]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06241	P00519	4.585026652029182	5.154901959985743	0.5698753079565613	Different Family
[P00533, P06241]	C(C(C(=O)O)S[Au])C(=O)O	P06241	P00533	6.090979145788844	5.623605557962733	0.4673735878261107	Different Family
[P00533, P06241]	C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3	P06241	P00533	5.391046300724137	5.828215059445879	0.4371687587217412	Different Family
[P00533, P06241]	CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4	P06241	P00533	6.091461367828041	6.252510507741327	0.1610491399132865	Different Family
[P00533, P06241]	CC(C)(C)c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O	P06241	P00533	5.213035740564267	5.447818661160664	0.2347829205963965	Different Family
[P00533, P06241]	CC(C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	P06241	P00533	5.32771737521108	5.495257363728312	0.16753998851723217	Different Family
[P00533, P06241]	CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	P06241	P00533	5.400662867007511	5.255628772668139	0.14503409433937176	Different Family
[P00533, P06241]	CC(Cc1ccc(c(c1)O)O)(C(=O)O)N	P06241	P00533	5.286005732339356	5.281664421091493	0.004341311247862301	Different Family
[P00533, P06241]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P06241	P00533	5.95233580539844	4.690433704106226	1.2619021012922138	Different Family
[P00533, P06241]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P06241	P00533	5.922632094715843	5.449404792510672	0.4732273022051716	Different Family
[P00533, P06241]	CCC(C)C(COC(Cc1ccccc1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C)NCC(CS)N	P06241	P00533	6.089909454405932	5.492683959923586	0.5972254944823456	Different Family
[P00533, P06241]	CCC(C)CCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O	P06241	P00533	6.018181392829336	5.823908740944319	0.19427265188501774	Different Family
[P00533, P06241]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P06241	P00533	6.525783735923745	5.459420283495546	1.0663634524281989	Different Family
[P00533, P06241]	CCCCCCCCNC(C)C(c1ccc(cc1)SC(C)C)O	P06241	P00533	6.141402655005307	6.099960764512676	0.04144189049263147	Different Family
[P00533, P06241]	CCN(CC)CCOc1ccc(cc1)C(=C(c2ccccc2)Cl)c3ccccc3	P06241	P00533	5.599807511407424	5.978810700930062	0.37900318952263756	Different Family
[P00533, P06241]	CCOc1cc(c(c(c1O)C=Nc2ccc3c(c2)[nH]c(=O)[nH]3)Br)Br	P06241	P00533	4.164055899906152	4.115204636051019	0.04885126385513239	Different Family
[P00533, P06241]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P06241	P00533	8.301029995663981	5.453704164878557	2.847325830785424	Different Family
[P00533, P06241]	CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	P06241	P00533	5.061480274823508	4.539583303374264	0.5218969714492445	Different Family
[P00533, P06241]	CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C	P06241	P00533	5.667965722972482	6.325138859262188	0.6571731362897069	Different Family
[P00533, P06241]	CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC	P06241	P00533	5.296708621881339	5.530619864150075	0.23391124226873572	Different Family
[P00533, P06241]	COc1cc(c(c(c1O)C=Nc2ccc3c(c2)[nH]c(=O)[nH]3)Br)Br	P06241	P00533	4.412625827926934	4.052223291535261	0.36040253639167297	Different Family
[P00533, P06241]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P06241	P00533	5.545612532853045	5.217742426336699	0.32787010651634585	Different Family
[P00533, P06241]	COc1ccc(cc1)N2Cc3cnc(nc3N(C2=O)C4CCC(C4)O)Nc5ccc(cc5)F	P06241	P00533	6.33161408331	6.2636034977233574	0.06801058558664241	Different Family
[P00533, P06241]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P06241	P00533	5.09848719087006	4.25469874696885	0.84378844390121	Different Family
[P00533, P06241]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P06241	P00533	6.027334407733889	6.248720896016658	0.22138648828276875	Different Family
[P00533, P06241]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06241	P00533	6.882728704344236	7.823908740944319	0.9411800366000831	Different Family
[P00533, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P06241	P00533	9.0	5.2839966563652006	3.7160033436347994	Different Family
[P00533, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06241	P00533	9.698970004336019	6.7447274948966935	2.954242509439325	Different Family
[P00533, P06241]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06241	P00533	7.638272163982407	6.015472686656207	1.6227994773261996	Different Family
[P00533, P06241]	[Cl-]	P06241	P00533	5.726327538057395	5.659873293894568	0.06645424416282619	Different Family
[P00533, P06241]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P06241	P00533	5.458670422333307	6.1257501772215965	0.6670797548882899	Different Family
[P00533, P06241]	c1cc(c(c(c1)O)O)O	P06241	P00533	6.001304841688344	5.910094888560602	0.09120995312774216	Different Family
[P00533, P06241]	c1cc(c(cc1CC(C(=O)O)N)O)O	P06241	P00533	5.668370282370068	5.540607512240769	0.1277627701292987	Different Family
[P00533, P06241]	c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl	P06241	P00533	5.380906669373258	4.533785052670012	0.8471216167032454	Different Family
[P00533, P06241]	c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	P06241	P00533	5.900353882876769	5.26874171439487	0.6316121684818992	Different Family
[P00533, P06241]	c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	P06241	P00533	4.915924432221326	4.489401376500078	0.4265230557212476	Different Family
[P00533, P06241]	c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O	P06241	P00533	4.235226283088959	4.599980364934842	0.36475408184588254	Different Family
[P00533, P06241]	c1cc2c(cc(c(c2nc1)O)I)I	P06241	P00533	5.803823814960027	5.7237680420781665	0.0800557728818605	Different Family
[P00533, P06241]	c1ccc(c(c1)O)O	P06241	P00533	4.758677697111227	4.584308989059276	0.1743687080519507	Different Family
[P00533, P06241]	c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	P06241	P00533	4.49687692792316	4.158509134666999	0.33836779325616106	Different Family
[P00533, P06241]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P06241	P00533	5.375305468727919	5.997833938243493	0.622528469515574	Different Family
[P00533, P06241]	c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO	P06241	P00533	5.097453220686009	4.396779821991733	0.7006733986942759	Different Family
[P06241, P07947]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P06241	P07947	5.910802209189103	6.247183568811729	0.33638135962262616	Same Family
[P06241, P07947]	CCc1ccc(cc1)c2ccc3c(c2)-c4c(cn[nH]4)S(=O)(=O)N3C	P06241	P07947	5.552841968657781	5.7447274948966935	0.19188552623891297	Same Family
[P06241, P07947]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P06241	P07947	8.301029995663981	9.096910013008056	0.795880017344075	Same Family
[P06241, P07947]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P06241	P07947	7.42021640338319	7.920818753952375	0.500602350569185	Same Family
[P06241, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P06241	P07947	7.568636235841013	7.443697499232713	0.1249387366082999	Same Family
[P06241, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P06241	P07947	5.706858516549069	6.157390760389438	0.45053224384036916	Same Family
[P06241, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P06241	P07947	6.039529222465701	6.46344155742847	0.42391233496276914	Same Family
[P06241, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P06241	P07947	6.507239610973162	7.1487416512809245	0.6415020403077625	Same Family
[P06241, P07947]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06241	P07947	6.882728704344236	7.356547323513813	0.47381861916957746	Same Family
[P06241, P07947]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P06241	P07947	9.0	8.698970004336019	0.30102999566398125	Same Family
[P06241, P07947]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06241	P07947	9.698970004336019	9.301029995663981	0.3979400086720375	Same Family
[P06241, P07947]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06241	P07947	7.638272163982407	9.0	1.361727836017593	Same Family
[P06239, P06241]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06241	P06239	4.355561410532162	6.96479633912994	2.609234928597778	Same Family
[P06239, P06241]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P06241	P06239	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[P06239, P06241]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P06241	P06239	8.301029995663981	7.187086643357144	1.113943352306837	Same Family
[P06239, P06241]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P06241	P06239	6.657577319177793	5.698970004336019	0.9586073148417746	Same Family
[P06239, P06241]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P06241	P06239	7.3979400086720375	6.698970004336019	0.6989700043360187	Same Family
[P06239, P06241]	CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	P06241	P06239	5.400662867007511	5.258139605934736	0.1425232610727747	Same Family
[P06239, P06241]	CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN	P06241	P06239	5.428174750959171	5.167810538931487	0.26036421202768345	Same Family
[P06239, P06241]	CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C	P06241	P06239	5.5003129173815966	5.187153463032929	0.31315945434866777	Same Family
[P06239, P06241]	CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	P06241	P06239	5.287016119731355	4.496032367783781	0.7909837519475742	Same Family
[P06239, P06241]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P06241	P06239	5.95233580539844	4.801727901530653	1.1506079038677868	Same Family
[P06239, P06241]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P06241	P06239	5.922632094715843	5.095122233036595	0.827509861679248	Same Family
[P06239, P06241]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P06241	P06239	6.525783735923745	5.497299824689438	1.0284839112343072	Same Family
[P06239, P06241]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	P06241	P06239	8.0	5.7447274948966935	2.2552725051033065	Same Family
[P06239, P06241]	CN1CCC(CC1)N2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6ccc(cc6F)C(F)(F)F)c(ncn4)N	P06241	P06239	5.97061622231479	7.668621084159213	1.6980048618444226	Same Family
[P06239, P06241]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P06241	P06239	6.422508200162775	7.0	0.5774917998372251	Same Family
[P06239, P06241]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P06241	P06239	5.545612532853045	4.70071066591232	0.8449018669407247	Same Family
[P06239, P06241]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P06241	P06239	5.468521082957745	5.1938200260161125	0.27470105694163216	Same Family
[P06239, P06241]	Cc1c(c2c(c(c1O)C)CCC(O2)(C)CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)C	P06241	P06239	5.782779344355482	4.766065203269315	1.0167141410861662	Same Family
[P06239, P06241]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P06241	P06239	5.09848719087006	4.101461297990865	0.9970258928791944	Same Family
[P06239, P06241]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P06241	P06239	6.027334407733889	5.903437561625864	0.12389684610802476	Same Family
[P06239, P06241]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06241	P06239	5.958607314841775	5.619788758288394	0.338818556553381	Same Family
[P06239, P06241]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P06241	P06239	7.568636235841013	6.711541522017397	0.8570947138236162	Same Family
[P06239, P06241]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06241	P06239	6.882728704344236	7.161150909262744	0.2784222049185088	Same Family
[P06239, P06241]	Cc1ccc2cc3c4ccccc4ccc3c5c2c1CC5	P06241	P06239	4.598996020100517	4.25608278543367	0.3429132346668471	Same Family
[P06239, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P06241	P06239	9.0	9.0	0.0	Same Family
[P06239, P06241]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06241	P06239	9.698970004336019	9.397940008672037	0.30102999566398125	Same Family
[P06239, P06241]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06241	P06239	7.638272163982407	7.886056647693163	0.24778448371075612	Same Family
[P06239, P06241]	Cn1c2ccc(cc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N)C#N	P06241	P06239	4.488116639021126	5.458420756053419	0.9703041170322937	Same Family
[P06239, P06241]	Cn1c2ccc(cc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N)Cl	P06241	P06239	4.866461091629782	7.576831443935097	2.710370352305315	Same Family
[P06239, P06241]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06241	P06239	3.8013429130455774	3.9469215565165805	0.14557864347100313	Same Family
[P06239, P06241]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06241	P06239	4.585026652029182	4.698970004336019	0.11394335230683694	Same Family
[P06239, P06241]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P06241	P06239	5.458670422333307	5.613947151059611	0.15527672872630394	Same Family
[P06239, P06241]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	P06241	P06239	7.657577319177793	7.102372908709558	0.5552044104682352	Same Family
[P06239, P06241]	c1cc(c(cc1CC(C(=O)O)N)O)O	P06241	P06239	5.668370282370068	5.428407616638693	0.23996266573137515	Same Family
[P06239, P06241]	c1cc2c(cc(c(c2nc1)O)I)I	P06241	P06239	5.803823814960027	5.608888386297197	0.19493542866282976	Same Family
[P06239, P06241]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P06241	P06239	5.375305468727919	5.5395532161192795	0.16424774739136083	Same Family
[P06241, Q16539]	CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)c5ccc(cc5)N(C)C)C)O	P06241	Q16539	4.670459752343336	4.080602844573749	0.5898569077695868	Different Group
[P06241, Q16539]	CC(C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	P06241	Q16539	5.32771737521108	6.0675262353228465	0.7398088601117667	Different Group
[P06241, Q16539]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P06241	Q16539	5.95233580539844	5.130416292286577	0.8219195131118635	Different Group
[P06241, Q16539]	CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O	P06241	Q16539	4.846703550644695	4.482764502534909	0.3639390481097857	Different Group
[P06241, Q16539]	Cc1c(c2c(c(c1O)C)CCC(O2)(C)CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)C	P06241	Q16539	5.782779344355482	5.25212229418021	0.5306570501752716	Different Group
[P06241, Q16539]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P06241	Q16539	5.09848719087006	4.739356293264975	0.3591308976050849	Different Group
[P06241, Q16539]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P06241	Q16539	6.027334407733889	6.1830961606243395	0.15576175289045047	Different Group
[P06241, Q16539]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P06241	Q16539	5.458670422333307	7.057495893831919	1.5988254714986123	Different Group
[P06241, Q16539]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	P06241	Q16539	7.657577319177793	6.425968732272281	1.2316085869055122	Different Group
[P06241, Q16539]	c1cc2c(cc(c(c2nc1)O)I)I	P06241	Q16539	5.803823814960027	6.438898616350944	0.6350748013909167	Different Group
[P06241, P12931]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06241	P12931	4.355561410532162	5.043351420794797	0.6877900102626349	Same Family
[P06241, P12931]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P06241	P12931	8.698970004336019	8.698970004336019	0.0	Same Family
[P06241, P12931]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P06241	P12931	5.910802209189103	5.610568183714541	0.3002340254745617	Same Family
[P06241, P12931]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P06241	P12931	7.42021640338319	7.568636235841013	0.1484198324578232	Same Family
[P06241, P12931]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4ccc(cc4Cl)Cl	P06241	P12931	5.5376020021010435	6.0	0.4623979978989565	Same Family
[P06241, P12931]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P06241	P12931	4.5638373529592435	4.517126416391246	0.04671093656799741	Same Family
[P06241, P12931]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P06241	P12931	6.422508200162775	6.732828271596986	0.31032007143421136	Same Family
[P06241, P12931]	COc1cc2c(cc1OCCCN3CCC(CC3)O)ncc(c2Nc4ccc(cc4Cl)Cl)C#N	P06241	P12931	5.346787486224656	5.853871964321762	0.5070844780971058	Same Family
[P06241, P12931]	COc1cc2c(cc1OCCCN3CCOCC3)ncc(c2Nc4ccc(cc4Cl)Cl)C#N	P06241	P12931	5.494850021680094	6.026872146400302	0.5320221247202079	Same Family
[P06241, P12931]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P06241	P12931	7.040958607678906	6.508638306165727	0.5323203015131792	Same Family
[P06241, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P06241	P12931	5.706858516549069	5.982966660701219	0.27610814415215046	Same Family
[P06241, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P06241	P12931	6.039529222465701	6.518557371497695	0.4790281490319943	Same Family
[P06241, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P06241	P12931	6.507239610973162	6.8996294548824375	0.39238984390927545	Same Family
[P06241, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06241	P12931	6.882728704344236	7.3979400086720375	0.5152113043278019	Same Family
[P06241, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06241	P12931	9.698970004336019	9.41195437047216	0.2870156338638594	Same Family
[P06241, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06241	P12931	7.638272163982407	8.174360993000928	0.5360888290185208	Same Family
[P06241, P12931]	Cn1cc(cn1)c2cc(c3nnc(n3c2)Sc4ccc5c(c4)c6c(cn5)N(C(=O)CO6)C)F	P06241	P12931	4.9522968918656955	4.8109871953997585	0.14130969646593705	Same Family
[P06241, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06241	P12931	3.8013429130455774	3.8239087409443187	0.022565827898741286	Same Family
[P06241, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06241	P12931	4.585026652029182	4.7447274948966935	0.15970084286751174	Same Family
[P07333, P17948]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P17948	7.366531544420414	5.54882784248746	1.8177037019329534	Different Family
[P07333, P17948]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P07333	P17948	8.104025267640935	8.367542707815275	0.26351744017433987	Different Family
[P07333, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P17948	7.107905397309519	8.522878745280337	1.4149733479708182	Different Family
[P07333, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	P17948	8.943095148663527	8.267606240177031	0.6754889084864963	Different Family
[P07333, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P17948	8.096910013008056	8.698970004336019	0.6020599913279625	Different Family
[P07333, P17948]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07333	P17948	7.337242168318426	7.698970004336019	0.36172783601759306	Different Family
[P07333, P17948]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P07333	P17948	8.872895201635192	8.838631997765026	0.03426320387016624	Different Family
[P07333, P17948]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P17948	7.2441251443275085	6.769551078621726	0.47457406570578264	Different Family
[P07333, P17948]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P07333	P17948	8.0	8.494850021680094	0.49485002168009373	Different Family
[P07333, P17948]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P17948	6.835647144215563	8.0	1.1643528557844371	Different Family
[P07333, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P07333	P17948	8.562249437179611	8.721246399047171	0.15899696186755996	Different Family
[P07333, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P07333	P17948	8.250263684430939	8.6903698325741	0.44010614814316185	Different Family
[P07333, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P17948	8.522878745280337	8.698970004336019	0.17609125905568135	Different Family
[P07333, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P17948	5.275724130399211	5.275724130399211	0.0	Different Family
[P07333, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P17948	5.6020599913279625	5.585026652029182	0.017033339298780703	Different Family
[P07333, P17948]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P07333	P17948	8.559810459746613	8.790435346129012	0.2306248863823992	Different Family
[P07333, P17948]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P17948	7.410050398674293	8.090022885540245	0.6799724868659522	Different Family
[P07333, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P17948	5.468521082957745	5.522878745280337	0.05435766232259276	Different Family
[P07333, P09619]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P09619	7.366531544420414	5.702896349850744	1.66363519456967	Same Family
[P07333, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	P09619	8.943095148663527	8.794190147018384	0.14890500164514364	Same Family
[P07333, P09619]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P07333	P09619	8.0	7.585026652029182	0.4149733479708182	Same Family
[P07333, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P09619	4.6020599913279625	5.7121982700697735	1.110138278741811	Same Family
[P07333, P09619]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P09619	8.522878745280337	7.180456064458132	1.3424226808222057	Same Family
[P07333, P09619]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P07333	P09619	8.0	7.886056647693163	0.11394335230683694	Same Family
[P07333, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P07333	P09619	5.9562796694805495	7.142667503568732	1.1863878340881824	Same Family
[P07333, P09619]	Cc1ccc(cc1OC2CCN(CC2)C(=O)c3ccncc3)NC(=O)c4cccc(c4)C(F)(F)F	P07333	P09619	6.876148359032914	6.920818753952375	0.044670394919460676	Same Family
[P07333, P09619]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P09619	6.835647144215563	7.075720713938118	0.2400735697225551	Same Family
[P07333, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07333	P09619	8.215378608973456	7.552841968657781	0.6625366403156754	Same Family
[P07333, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P09619	5.275724130399211	5.337242168318426	0.06151803791921484	Same Family
[P07333, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P09619	5.6020599913279625	5.657577319177793	0.05551732784983088	Same Family
[P07333, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P09619	5.468521082957745	5.698970004336019	0.2304489213782741	Same Family
[P07333, P10721]	CC(=O)N1CCN(CC1)C(C)(C)c2ccc(c(c2)C3=CCC(CC3)(C)C)NC(=O)c4[nH]cc(n4)C#N	P07333	P10721	8.769551078621726	7.3979400086720375	1.3716110699496884	Same Family
[P07333, P10721]	CC(=O)N1CCN(CC1)CC(C)(C)c2ccc(c(c2)C3=CCC(CC3)(C)C)NC(=O)c4[nH]cc(n4)C#N	P07333	P10721	8.244125144327509	5.7447274948966935	2.499397649430815	Same Family
[P07333, P10721]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P10721	7.366531544420414	6.531652669587842	0.8348788748325715	Same Family
[P07333, P10721]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P07333	P10721	8.104025267640935	7.27531461176264	0.8287106558782948	Same Family
[P07333, P10721]	CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC	P07333	P10721	5.464705879957229	6.657577319177793	1.1928714392205642	Same Family
[P07333, P10721]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P07333	P10721	7.823908740944319	8.096910013008056	0.2730012720637376	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)CN4CCN(CC4)CCO)C	P07333	P10721	8.698970004336019	6.443697499232713	2.2552725051033056	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)CN4CCS(=O)(=O)CC4)C	P07333	P10721	8.455931955649724	7.0	1.4559319556497243	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)CNCCOC)C	P07333	P10721	9.221848749616356	6.733622810503751	2.4882259391126054	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)CNCCS(=O)(=O)C)C	P07333	P10721	8.823908740944319	6.142667503568732	2.6812412373755867	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)CO)C	P07333	P10721	8.698970004336019	5.721246399047171	2.9777236052888476	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)N4CCN(CC4)C)C	P07333	P10721	8.638272163982407	6.292429823902063	2.3458423400803436	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)N4CCN(CC4)CCO)C	P07333	P10721	9.154901959985743	7.886056647693163	1.26884531229258	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)N4CCOCC4)C	P07333	P10721	9.045757490560675	5.522878745280337	3.5228787452803374	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)NCCN4CCOCC4)C	P07333	P10721	8.920818753952375	6.717076090663241	2.203742663289134	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)NCCS(=O)(=O)C)C	P07333	P10721	8.823908740944319	5.721246399047171	3.1026623418971475	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)Nc4ccccn4)C	P07333	P10721	7.721246399047171	5.3979400086720375	2.3233063903751336	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)O)C	P07333	P10721	8.721246399047171	5.6020599913279625	3.1191864077192086	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)C(C)(C)OCCN(C)C)C	P07333	P10721	8.67778070526608	6.6020599913279625	2.075720713938118	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)CCN4CCOCC4)C	P07333	P10721	9.096910013008056	6.522878745280337	2.574031267727719	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)CCO)C	P07333	P10721	8.337242168318426	5.619788758288394	2.717453410030032	Same Family
[P07333, P10721]	CC1(CCC(=CC1)c2cc(ccc2NC(=O)c3[nH]cc(n3)C#N)CN4CCN(CC4)CCO)C	P07333	P10721	9.096910013008056	6.275724130399211	2.8211858826088454	Same Family
[P07333, P10721]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P07333	P10721	7.978810700930062	8.920818753952375	0.9420080530223132	Same Family
[P07333, P10721]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P07333	P10721	8.161150909262744	8.102372908709558	0.05877800055318616	Same Family
[P07333, P10721]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P10721	8.096910013008056	7.585026652029182	0.5118833609788744	Same Family
[P07333, P10721]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P07333	P10721	7.096910013008056	7.522878745280337	0.42596873227228116	Same Family
[P07333, P10721]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P07333	P10721	8.045757490560675	7.920818753952375	0.1249387366082999	Same Family
[P07333, P10721]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P07333	P10721	6.364749777603109	6.280555225880322	0.08419455172278667	Same Family
[P07333, P10721]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P07333	P10721	8.872895201635192	7.90031935889075	0.9725758427444422	Same Family
[P07333, P10721]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P10721	7.2441251443275085	6.739928612014925	0.5041965323125837	Same Family
[P07333, P10721]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P10721	8.522878745280337	7.795880017344075	0.7269987279362624	Same Family
[P07333, P10721]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P07333	P10721	5.552841968657781	5.167491087293763	0.3853508813640172	Same Family
[P07333, P10721]	Cc1ccc(cc1OC2CCN(CC2)C(=O)c3ccncc3)NC(=O)c4cccc(c4)C(F)(F)F	P07333	P10721	6.876148359032914	7.00436480540245	0.1282164463695361	Same Family
[P07333, P10721]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P10721	6.835647144215563	7.130768280269024	0.2951211360534609	Same Family
[P07333, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P07333	P10721	8.562249437179611	8.368556230986828	0.1936932061927834	Same Family
[P07333, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P07333	P10721	8.250263684430939	7.566870482419515	0.6833932020114242	Same Family
[P07333, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P10721	8.522878745280337	8.221848749616356	0.30102999566398125	Same Family
[P07333, P10721]	c1cc(c(cc1CCN2CCOCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P07333	P10721	8.853871964321762	6.920818753952375	1.933053210369387	Same Family
[P07333, P10721]	c1cc(c(cc1CCO)C2=CCCCC2)NC(=O)c3[nH]cc(n3)C#N	P07333	P10721	8.167491087293763	5.795880017344075	2.3716110699496884	Same Family
[P07333, P10721]	c1cc(c(cc1CN2CCOCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P07333	P10721	8.494850021680094	6.050609993355088	2.444240028325006	Same Family
[P07333, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P10721	5.275724130399211	5.154901959985743	0.12082217041346777	Same Family
[P07333, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P10721	5.6020599913279625	6.102372908709558	0.5003129173815957	Same Family
[P07333, P10721]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P07333	P10721	8.559810459746613	7.636806309385258	0.9230041503613551	Same Family
[P07333, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P10721	5.468521082957745	5.657577319177793	0.18905623622004875	Same Family
[P07333, P10721]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P07333	P10721	4.2441251443275085	3.272458742971444	0.9716664013560647	Same Family
[P07333, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P35916	7.366531544420414	5.925183559354825	1.4413479850655886	Different Family
[P07333, P35916]	CC(C)(c1ccc(cn1)c2cnc3c(n2)N(C(=O)CN3)C4CCC(CC4)OC)O	P07333	P35916	7.552841968657781	6.186419011431808	1.3664229572259723	Different Family
[P07333, P35916]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P35916	8.096910013008056	8.522878745280337	0.42596873227228116	Different Family
[P07333, P35916]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07333	P35916	7.337242168318426	7.522878745280337	0.18563657696191171	Different Family
[P07333, P35916]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P07333	P35916	8.045757490560675	8.397940008672037	0.3521825181113627	Different Family
[P07333, P35916]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P35916	7.2441251443275085	7.060480747381382	0.18364439694612678	Different Family
[P07333, P35916]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P07333	P35916	5.552841968657781	5.431798275933005	0.12104369272477555	Different Family
[P07333, P35916]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P07333	P35916	8.0	8.958607314841775	0.9586073148417746	Different Family
[P07333, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P35916	6.835647144215563	7.327902142064283	0.49225499784872007	Different Family
[P07333, P35916]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P35916	8.522878745280337	7.886056647693163	0.6368220975871743	Different Family
[P07333, P35916]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P35916	7.410050398674293	8.119987161633228	0.709936762958935	Different Family
[P07333, P35916]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P07333	P35916	6.31069114087638	6.562249437179612	0.2515582963032319	Different Family
[P07333, P35916]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P07333	P35916	6.2403321553103694	6.06198090252379	0.17835125278657937	Different Family
[P07333, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P36888	7.366531544420414	7.657577319177793	0.2910457747573796	Same Family
[P07333, P36888]	CC(C)(CN)COc1cccc2c1nc(cc2)c3cnc4n3ccc(c4)OCCOC	P07333	P36888	7.136677139879544	7.327902142064283	0.1912250021847388	Same Family
[P07333, P36888]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P07333	P36888	8.104025267640935	8.714442690992227	0.6104174233512918	Same Family
[P07333, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P36888	7.107905397309519	7.1487416512809245	0.040836253971405334	Same Family
[P07333, P36888]	CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCOCC5)OC	P07333	P36888	5.853871964321762	7.0	1.1461280356782382	Same Family
[P07333, P36888]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P07333	P36888	7.823908740944319	8.698970004336019	0.8750612633917001	Same Family
[P07333, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P07333	P36888	6.847711655616943	7.713921221523496	0.8662095659065523	Same Family
[P07333, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	P36888	8.943095148663527	9.698970004336019	0.7558748556724915	Same Family
[P07333, P36888]	CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O	P07333	P36888	7.508638306165727	8.524295382979435	1.0156570768137083	Same Family
[P07333, P36888]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P07333	P36888	6.809668301829708	7.756255301901422	0.9465870000717143	Same Family
[P07333, P36888]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P07333	P36888	7.978810700930062	8.698970004336019	0.720159303405957	Same Family
[P07333, P36888]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P07333	P36888	8.161150909262744	9.0	0.8388490907372557	Same Family
[P07333, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P36888	8.096910013008056	8.045757490560675	0.05115252244738144	Same Family
[P07333, P36888]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P07333	P36888	8.0	7.912928794093465	0.08707120590653528	Same Family
[P07333, P36888]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07333	P36888	7.337242168318426	7.301029995663981	0.03621217265444443	Same Family
[P07333, P36888]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P07333	P36888	6.364749777603109	8.254432191740108	1.889682414136999	Same Family
[P07333, P36888]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P07333	P36888	8.872895201635192	8.913640169325252	0.04074496769005975	Same Family
[P07333, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P36888	7.2441251443275085	7.568636235841013	0.32451109151350455	Same Family
[P07333, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P36888	8.522878745280337	8.0	0.5228787452803374	Same Family
[P07333, P36888]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P07333	P36888	5.552841968657781	8.0	2.4471580313422194	Same Family
[P07333, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P07333	P36888	8.562249437179611	8.742321425130816	0.18007198795120516	Same Family
[P07333, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P07333	P36888	8.250263684430939	8.661543506395395	0.411279821964456	Same Family
[P07333, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P36888	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P07333, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P36888	5.275724130399211	5.366531544420414	0.09080741402120296	Same Family
[P07333, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P36888	5.6020599913279625	5.481486060122113	0.12057393120584958	Same Family
[P07333, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P07333	P36888	8.559810459746613	8.916489102104872	0.3566786423582595	Same Family
[P07333, P36888]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P07333	P36888	6.31069114087638	6.471083299722345	0.1603921588459647	Same Family
[P07333, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P36888	5.468521082957745	6.142667503568732	0.6741464206109873	Same Family
[P07333, P36888]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P07333	P36888	4.2441251443275085	3.492144128304169	0.7519810160233393	Same Family
[P07333, P16234]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P16234	7.366531544420414	6.431798275933005	0.9347332684874088	Same Family
[P07333, P16234]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P16234	7.107905397309519	6.609064892896621	0.4988405044128985	Same Family
[P07333, P16234]	CC(C)Nc1c2ccc(cc2nnc1C(=O)N)N3CCOCC3	P07333	P16234	7.657577319177793	6.581698708680254	1.075878610497539	Same Family
[P07333, P16234]	CC(C)Nc1c2ccc(cc2nnc1C(=O)N)c3ccc(cc3)S(=O)(=O)C	P07333	P16234	7.920818753952375	6.896196279044043	1.0246224749083321	Same Family
[P07333, P16234]	CC(C1CC1)Nc2c3ccc(cc3nnc2C(=O)N)c4ccc(cc4)S(=O)(=O)C	P07333	P16234	7.769551078621726	7.267606240177032	0.5019448384446941	Same Family
[P07333, P16234]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P07333	P16234	7.823908740944319	8.036212172654444	0.21230343171012578	Same Family
[P07333, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	P16234	8.943095148663527	9.221848749616356	0.27875360095282886	Same Family
[P07333, P16234]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P07333	P16234	7.978810700930062	8.113509274827518	0.134698573897456	Same Family
[P07333, P16234]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P07333	P16234	8.161150909262744	8.207608310501746	0.04645740123900133	Same Family
[P07333, P16234]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P07333	P16234	8.0	8.366531544420413	0.3665315444204129	Same Family
[P07333, P16234]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P16234	6.835647144215563	7.1487416512809245	0.3130945070653617	Same Family
[P07333, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07333	P16234	8.215378608973456	8.00436480540245	0.21101380357100652	Same Family
[P07333, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P07949	7.366531544420414	6.006123085058789	1.3604084593616248	Different Family
[P07333, P07949]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P07949	7.107905397309519	8.301029995663981	1.193124598354462	Different Family
[P07333, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	P07949	8.943095148663527	8.497903821870143	0.4451913267933847	Different Family
[P07333, P07949]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P07333	P07949	6.809668301829708	6.3977953161789305	0.4118729856507777	Different Family
[P07333, P07949]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07333	P07949	7.337242168318426	8.0	0.6627578316815743	Different Family
[P07333, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P07949	4.6020599913279625	5.080921907623926	0.47886191629596375	Different Family
[P07333, P07949]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P07949	8.522878745280337	5.721246399047171	2.8016323462331663	Different Family
[P07333, P07949]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P07333	P07949	8.0	7.7447274948966935	0.25527250510330646	Different Family
[P07333, P07949]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07333	P07949	8.215378608973456	6.363512103646634	1.8518665053268215	Different Family
[P07333, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P07949	5.275724130399211	5.221848749616356	0.0538753807828547	Different Family
[P07333, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P07949	5.6020599913279625	5.431798275933005	0.1702617153949575	Different Family
[P07333, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P07949	5.468521082957745	5.309803919971486	0.1587171629862585	Different Family
[P07333, P07949]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P07333	P07949	6.2403321553103694	6.151195298948196	0.08913685636217306	Different Family
[P06239, P07333]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P07333	P06239	7.096910013008056	5.943095148663527	1.153814864344529	Different Family
[P06239, P07333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P06239	4.6020599913279625	5.958607314841775	1.3565473235138121	Different Family
[P06239, P07333]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P07333	P06239	8.045757490560675	4.931814138253839	3.113943352306836	Different Family
[P06239, P07333]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P06239	7.2441251443275085	5.346787486224656	1.8973376581028525	Different Family
[P06239, P07333]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P06239	8.522878745280337	3.3010299956639813	5.221848749616356	Different Family
[P06239, P07333]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P06239	8.522878745280337	4.698970004336019	3.8239087409443187	Different Family
[P06239, P07333]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07333	P06239	8.215378608973456	9.397940008672037	1.1825613996985815	Different Family
[P06239, P07333]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P06239	5.275724130399211	5.2839966563652006	0.008272525965989708	Different Family
[P06239, P07333]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P06239	5.6020599913279625	5.522878745280337	0.07918124604762511	Different Family
[P06239, P07333]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P06239	5.468521082957745	5.698970004336019	0.2304489213782741	Different Family
[P07333, P12931]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P12931	7.107905397309519	7.431798275933005	0.3238928786234858	Different Family
[P07333, P12931]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P12931	8.096910013008056	4.517126416391246	3.57978359661681	Different Family
[P07333, P12931]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P07333	P12931	7.096910013008056	6.142667503568732	0.9542425094393243	Different Family
[P07333, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P12931	4.6020599913279625	5.2403321553103694	0.6382721639824069	Different Family
[P07333, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P12931	8.522878745280337	4.301029995663981	4.221848749616356	Different Family
[P07333, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07333	P12931	8.215378608973456	9.41195437047216	1.1965757614987034	Different Family
[P07333, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P12931	5.275724130399211	5.337242168318426	0.06151803791921484	Different Family
[P07333, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P12931	5.6020599913279625	5.6020599913279625	0.0	Different Family
[P07333, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P12931	5.468521082957745	5.337242168318426	0.13127891463931896	Different Family
[P07333, P12931]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P07333	P12931	4.2441251443275085	2.9956786262173574	1.2484465181101512	Different Family
[P07333, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07333	P35968	7.366531544420414	5.609418121449565	1.757113422970849	Different Family
[P07333, P35968]	CC(C)(CN)COc1cccc2c1nc(cc2)c3cnc4n3ccc(c4)OCCOC	P07333	P35968	7.136677139879544	6.886056647693163	0.25062049218638105	Different Family
[P07333, P35968]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P07333	P35968	8.104025267640935	8.300162274132754	0.19613700649181887	Different Family
[P07333, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P35968	7.107905397309519	8.397940008672037	1.2900346113625183	Different Family
[P07333, P35968]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P07333	P35968	6.847711655616943	6.6020599913279625	0.24565166428898078	Different Family
[P07333, P35968]	CN1CCC(CC1)Oc2cccc3c2nc(cc3)c4cnc5n4ccc(c5)OCCOC	P07333	P35968	6.505845405981558	7.376750709602099	0.8709053036205416	Different Family
[P07333, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	P35968	8.096910013008056	7.809894379144197	0.2870156338638594	Different Family
[P07333, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P35968	4.6020599913279625	5.107905397309519	0.5058454059815567	Different Family
[P07333, P35968]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P07333	P35968	8.045757490560675	8.048455006504028	0.0026975159433533236	Different Family
[P07333, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P07333	P35968	6.364749777603109	7.5808540301842715	1.2161042525811627	Different Family
[P07333, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5O	P07333	P35968	6.6491987399883525	7.173925197299173	0.5247264573108206	Different Family
[P07333, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OCC5(CCNCC5)F	P07333	P35968	7.055517327849832	7.292429823902063	0.23691249605223152	Different Family
[P07333, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OCC5CCNC5	P07333	P35968	6.521433504406157	7.154901959985743	0.6334684555795862	Different Family
[P07333, P35968]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P07333	P35968	8.872895201635192	8.73754891026957	0.1353462913656216	Different Family
[P07333, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	P35968	7.2441251443275085	7.263621775341393	0.01949663101388488	Different Family
[P07333, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	P35968	8.522878745280337	8.349680610785484	0.17319813449485366	Different Family
[P07333, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P07333	P35968	6.835647144215563	7.97325923198876	1.1376120877731974	Different Family
[P07333, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P07333	P35968	8.562249437179611	8.25770773535858	0.3045417018210319	Different Family
[P07333, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P07333	P35968	8.250263684430939	8.795880017344075	0.545616332913136	Different Family
[P07333, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	P35968	8.522878745280337	8.761439372640169	0.2385606273598313	Different Family
[P07333, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P35968	5.275724130399211	5.301029995663981	0.02530586526477041	Different Family
[P07333, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P35968	5.6020599913279625	6.0	0.3979400086720375	Different Family
[P07333, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P07333	P35968	8.559810459746613	8.649301437839775	0.08949097809316164	Different Family
[P07333, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P35968	5.468521082957745	5.3872161432802645	0.08130493967748009	Different Family
[P04629, P07333]	CC(C)(C1CCN(CC1)c2cc3c(nc2)n(cn3)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC)N	P07333	P04629	8.301029995663981	7.267606240177032	1.0334237554869494	Different Family
[P04629, P07333]	CC(C)(C1CCN(CC1)c2ccc3c(c2)ncn3Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC)N	P07333	P04629	7.886056647693163	6.18575240426808	1.7003042434250828	Different Family
[P04629, P07333]	CC(C)(c1cn(nn1)c2cc3c(nc2)n(cn3)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC)N	P07333	P04629	8.154901959985743	7.055517327849832	1.0993846321359113	Different Family
[P04629, P07333]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	P04629	7.107905397309519	8.522878745280337	1.4149733479708182	Different Family
[P04629, P07333]	CC(C)c1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5cnn(c5)C)nc3N	P07333	P04629	8.301029995663981	9.698970004336019	1.3979400086720375	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3c4c(cc(cn4)C#CCCO)nc3N	P07333	P04629	6.863279432843593	9.0	2.1367205671564067	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3c4c(cc(cn4)c5cnn(c5)C)nc3N	P07333	P04629	7.721246399047171	9.397940008672037	1.6766936096248664	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3cnc4c3ccc(c4)C#CCCO	P07333	P04629	5.329754146925876	6.1598939055432425	0.8301397586173662	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3cnc4c3ccc(c4)c5ccc(cc5)F	P07333	P04629	5.384049948343599	5.906578314837765	0.522528366494166	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3cnc4c3ccc(c4)c5cnn(c5)C	P07333	P04629	6.795880017344075	6.991399828238082	0.19551981089400705	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)C(F)(F)F)n3cnc4c3ncc(c4)c5cnn(c5)C	P07333	P04629	7.251811972993799	8.154901959985743	0.9030899869919438	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)OC)n3c4ccc(cc4nc3N)c5ccc(cc5)F	P07333	P04629	6.163675884293248	7.070581074285707	0.9069051899924592	Different Family
[P04629, P07333]	CC(c1ccc(c(c1)OC)OCc2ccc(nc2)OC)n3c4ccc(cc4nc3N)c5cnn(c5)C	P07333	P04629	7.136677139879544	8.522878745280337	1.3862016054007933	Different Family
[P04629, P07333]	CC(c1ccc(nc1)OC)Oc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5ccc(nc5)OC	P07333	P04629	6.987162775294828	6.795880017344075	0.191282757950753	Different Family
[P04629, P07333]	CC(c1ccc(nc1)OC)Oc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5ccnc(c5)F	P07333	P04629	6.991399828238082	6.667561540084395	0.323838288153687	Different Family
[P04629, P07333]	CC(c1ccc(nc1)OC)Oc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5ccnn5C	P07333	P04629	7.086186147616283	6.347753658996677	0.7384324886196065	Different Family
[P04629, P07333]	CC(c1ccc(nc1)OC)Oc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5cnn(c5)C	P07333	P04629	7.236572006437063	7.455931955649724	0.21935994921266122	Different Family
[P04629, P07333]	CC12CCCN(C1)C(=C2)c3cc4c(nc3)n(cn4)Cc5ccc(c(c5)OC)OCc6ccc(nc6)OC	P07333	P04629	7.823908740944319	6.696803942579511	1.1271047983648073	Different Family
[P04629, P07333]	CC12CCCN(C1)C(=C2)c3ccc4c(c3)ncn4Cc5ccc(c(c5)OC)OCc6ccc(nc6)OC	P07333	P04629	6.79317412396815	5.8297382846050425	0.9634358393631075	Different Family
[P04629, P07333]	CCC(c1ccc(nc1)OC)Oc2ccc(cc2OC)Cn3c4c(cc(cn4)c5cnn(c5)C)nc3N	P07333	P04629	7.229147988357856	7.494850021680094	0.2657020333222375	Different Family
[P04629, P07333]	CN1CCN(C(=O)C1)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC)N	P07333	P04629	6.481486060122113	5.0467236633326955	1.4347623967894174	Different Family
[P04629, P07333]	CN1CCN(C(=O)C1)c2ccc3c(c2)ncn3Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	6.3655227298392685	5.220403508742176	1.1451192210970929	Different Family
[P04629, P07333]	CN1CCN(CC1)c2cc3c(nc2)n(cn3)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	7.858349385648225	6.609758534074384	1.2485908515738409	Different Family
[P04629, P07333]	CN1CCN(CC1)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC)N	P07333	P04629	7.522878745280337	6.229147988357856	1.2937307569224812	Different Family
[P04629, P07333]	CN1CCN(CC1)c2ccc3c(c2)ncn3Cc4cc(c(cc4F)OCc5ccc(nc5)OC)OC	P07333	P04629	6.421360790031928	6.0695604052333	0.3518003847986275	Different Family
[P04629, P07333]	CN1CCN(CC1)c2ccc3c(c2)ncn3Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	7.494850021680094	5.94692155651658	1.5479284651635137	Different Family
[P04629, P07333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	P04629	4.6020599913279625	5.080921907623926	0.47886191629596375	Different Family
[P04629, P07333]	COc1cc(ccc1OCc2ccc(nc2)C(F)F)Cn3cnc4c3ncc(c4)C#CCCO	P07333	P04629	7.6020599913279625	7.769551078621726	0.16749108729376339	Different Family
[P04629, P07333]	COc1ccc(cc1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5ccc(nc5)P(=O)(C)C)nc3N	P07333	P04629	8.698970004336019	9.301029995663981	0.6020599913279625	Different Family
[P04629, P07333]	COc1ccc(cc1)COc2ccc(cc2OC)Cn3c4ccc(cc4nc3N)c5ccc(nc5)P(=O)(C)C	P07333	P04629	9.0	8.154901959985743	0.8450980400142569	Different Family
[P04629, P07333]	COc1ccc(cc1)COc2ccc(cc2OC)Cn3c4ccc(cc4nc3N)c5ccncc5	P07333	P04629	8.698970004336019	8.096910013008056	0.6020599913279625	Different Family
[P04629, P07333]	COc1ccc(cc1)COc2ccc(cc2OC)Cn3c4ccc(cc4nc3N)c5cncnc5	P07333	P04629	8.397940008672037	7.0655015487564325	1.332438459915605	Different Family
[P04629, P07333]	COc1ccc(cc1)COc2ccc(cc2OC)Cn3c4ccc(cc4nc3N)c5cnn(c5)CCN6CCOCC6	P07333	P04629	8.397940008672037	8.522878745280337	0.1249387366082999	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)C#CC5CCCCC5)nc3N	P07333	P04629	6.671620396561262	7.187086643357144	0.5154662467958824	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)C#CCCO)nc3N	P07333	P04629	7.886056647693163	8.154901959985743	0.26884531229258	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5ccc(cc5)F)nc3N	P07333	P04629	8.045757490560675	8.045757490560675	0.0	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5ccccc5)nc3N	P07333	P04629	8.154901959985743	8.221848749616356	0.06694678963061307	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5ccccn5)nc3N	P07333	P04629	8.301029995663981	8.397940008672037	0.09691001300805624	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5cccnc5)nc3N	P07333	P04629	8.221848749616356	8.301029995663981	0.07918124604762511	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5ccncc5)nc3N	P07333	P04629	8.698970004336019	8.698970004336019	0.0	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5cncnc5)nc3N	P07333	P04629	7.958607314841775	7.292429823902063	0.6661774909397113	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)C5=CC6(CCCN5C6)O	P07333	P04629	6.82102305270683	5.935542010773082	0.8854810419337484	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)C5CCNCC5	P07333	P04629	6.444905551421681	4.954677021213342	1.4902285302083387	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)C5CCOCC5	P07333	P04629	7.568636235841013	6.100726812682396	1.4679094231586172	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)N5CC6(C5)CCNCC6	P07333	P04629	7.920818753952375	6.8696662315049934	1.0511525224473814	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)N5CCC(CC5)N	P07333	P04629	7.508638306165727	5.987162775294828	1.521475530870899	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)c5ccnnc5	P07333	P04629	7.522878745280337	6.077793722560983	1.4450850227193541	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)c5cnn(c5)C6CCNCC6	P07333	P04629	8.698970004336019	8.221848749616356	0.4771212547196626	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)c5nc(on5)C6CCNCC6	P07333	P04629	7.823908740944319	6.51427857351842	1.3096301674258983	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)c5nnc(o5)C6CCCNC6	P07333	P04629	7.552841968657781	6.36251027048749	1.190331698170291	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ccc(c4)n5cc(nn5)C6CCCNC6	P07333	P04629	8.221848749616356	6.756961951313706	1.4648867983026506	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)C5=CC6(CCCN5C6)O	P07333	P04629	7.3872161432802645	6.443697499232713	0.9435186440475514	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CC6(C5)CCNCC6	P07333	P04629	8.154901959985743	7.6020599913279625	0.5528419686577806	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CCC(CC5)N	P07333	P04629	7.920818753952375	6.634512015109101	1.2863067388432743	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CCCC5C(=O)O	P07333	P04629	7.494850021680094	8.096910013008056	0.6020599913279625	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CCN(CC5)C6CC6	P07333	P04629	7.795880017344075	6.94692155651658	0.8489584608274949	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CCN6CCC5CC6	P07333	P04629	7.443697499232713	6.327902142064283	1.1157953571684303	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)N5CCOCC5	P07333	P04629	8.096910013008056	7.045757490560675	1.0511525224473814	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5cnn(c5)C6CCNCC6	P07333	P04629	8.698970004336019	9.0	0.30102999566398125	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5nc(on5)C6CCNCC6	P07333	P04629	8.154901959985743	7.585026652029182	0.5698753079565613	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5nnc(o5)C6CCNCC6	P07333	P04629	7.886056647693163	7.292429823902063	0.5936268237910998	Different Family
[P04629, P07333]	COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)n5cc(nn5)C6CCCNC6	P07333	P04629	8.522878745280337	7.494850021680094	1.0280287236002437	Different Family
[P04629, P07333]	Cc1c(c(n(n1)C)C)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	8.301029995663981	7.853871964321762	0.44715803134221943	Different Family
[P04629, P07333]	Cc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c4)c5cnn(c5)C6CCNCC6	P07333	P04629	8.522878745280337	9.045757490560675	0.5228787452803374	Different Family
[P04629, P07333]	Cc1nc(cs1)COc2ccc(cc2OC)Cn3c4c(cc(cn4)c5cnn(c5)C)nc3N	P07333	P04629	8.301029995663981	9.301029995663981	1.0	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OC(c5ccc(nc5)OC)C6CC6	P07333	P04629	6.100179497572904	7.236572006437063	1.1363925088641595	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OC5CCCc6c5cnc(c6)OC	P07333	P04629	6.116338564846383	7.4089353929735005	1.2925968281271176	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)C(C(F)(F)F)(F)F	P07333	P04629	7.552841968657781	9.522878745280337	1.9700367766225568	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)C(F)(F)F	P07333	P04629	8.301029995663981	9.698970004336019	1.3979400086720375	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)CC(F)(F)F	P07333	P04629	8.0	9.698970004336019	1.6989700043360187	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)OC	P07333	P04629	8.698970004336019	9.522878745280337	0.8239087409443187	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)OC(F)(F)F	P07333	P04629	8.096910013008056	9.698970004336019	1.6020599913279625	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(cc5)SC(F)(F)F	P07333	P04629	7.7447274948966935	9.698970004336019	1.9542425094393252	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(nc5)C(F)(F)F	P07333	P04629	8.301029995663981	9.698970004336019	1.3979400086720375	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(nc5)C6CC6	P07333	P04629	8.522878745280337	9.698970004336019	1.1760912590556813	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	8.522878745280337	9.221848749616356	0.6989700043360187	Different Family
[P04629, P07333]	Cn1cc(cn1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5csc(n5)C(F)(F)F	P07333	P04629	8.154901959985743	9.698970004336019	1.5440680443502757	Different Family
[P04629, P07333]	Cn1cc(cn1)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)OC)OCc5ccc(cc5)OC)N	P07333	P04629	8.698970004336019	9.0	0.30102999566398125	Different Family
[P04629, P07333]	Cn1ccc(n1)c2cc3c(nc2)n(c(n3)N)Cc4ccc(c(c4)OC)OCc5ccc(nc5)OC	P07333	P04629	8.301029995663981	8.522878745280337	0.22184874961635614	Different Family
[P04629, P07333]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07333	P04629	5.275724130399211	8.306939584650792	3.031215454251581	Different Family
[P04629, P07333]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07333	P04629	5.6020599913279625	9.0	3.3979400086720375	Different Family
[P04629, P07333]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07333	P04629	5.468521082957745	6.070581074285707	0.6020599913279625	Different Family
[P04629, P07333]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P07333	P04629	4.2441251443275085	3.3334820194451193	0.9106431248823892	Different Family
[P07333, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	Q02763	7.107905397309519	7.479303657420887	0.3713982601113681	Different Family
[P07333, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	Q02763	8.943095148663527	6.671212799645465	2.271882349018062	Different Family
[P07333, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P07333	Q02763	8.096910013008056	5.337242168318426	2.7596678446896306	Different Family
[P07333, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P07333	Q02763	7.096910013008056	5.497572880015567	1.5993371329924893	Different Family
[P07333, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	Q02763	4.6020599913279625	7.365243527891042	2.76318353656308	Different Family
[P07333, Q02763]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P07333	Q02763	8.045757490560675	5.0915149811213505	2.9542425094393243	Different Family
[P07333, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	Q02763	7.2441251443275085	7.769551078621726	0.5254259342942174	Different Family
[P07333, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	Q02763	8.522878745280337	6.769551078621726	1.7533276666586115	Different Family
[P07333, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P07333	Q02763	8.522878745280337	6.139672321724138	2.3832064235561994	Different Family
[P07333, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P07333	Q02763	7.410050398674293	7.803768480298833	0.3937180816245407	Different Family
[O14965, P07333]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P07333	O14965	8.104025267640935	5.441309425467385	2.66271584217355	Different Group
[O14965, P07333]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07333	O14965	7.107905397309519	7.376750709602099	0.26884531229258	Different Group
[O14965, P07333]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P07333	O14965	6.847711655616943	7.096910013008056	0.24919835739111296	Different Group
[O14965, P07333]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07333	O14965	8.943095148663527	8.160579629225387	0.7825155194381406	Different Group
[O14965, P07333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07333	O14965	4.6020599913279625	4.6020599913279625	0.0	Different Group
[O14965, P07333]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P07333	O14965	8.872895201635192	6.244018488604927	2.628876713030265	Different Group
[O14965, P07333]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07333	O14965	8.522878745280337	6.119186407719209	2.4036923375611288	Different Group
[O14965, P07333]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P07333	O14965	5.552841968657781	5.823908740944319	0.2710667722865381	Different Group
[O14965, P07333]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P07333	O14965	8.562249437179611	6.4470885497834916	2.1151608873961196	Different Group
[O14965, P07333]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P07333	O14965	8.250263684430939	6.605005790081489	1.6452578943494496	Different Group
[O14965, P07333]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P07333	O14965	8.559810459746613	5.747181901218205	2.8126285585284077	Different Group
[O14965, P07333]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P07333	O14965	6.2403321553103694	9.522878745280337	3.282546589969968	Different Group
[P00519, P17948]	CC(C)(C)NC(=O)Nc1ccc2c(c1)c(n[nH]2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P00519	P17948	7.522878745280337	9.0	1.4771212547196626	Different Family
[P00519, P17948]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P00519	P17948	5.30189945437661	5.088309841246139	0.21358961313047065	Different Family
[P00519, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P17948	6.692308678930553	8.267606240177031	1.5752975612464777	Different Family
[P00519, P17948]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00519	P17948	6.82102305270683	7.0	0.1789769472931697	Different Family
[P00519, P17948]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P17948	8.34518491628705	7.4089353929735005	0.936249523313549	Different Family
[P00519, P17948]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P17948	5.107905397309519	8.0	2.892094602690481	Different Family
[P00519, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P17948	5.2839966563652006	5.275724130399211	0.008272525965989708	Different Family
[P00519, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P17948	5.619788758288394	5.585026652029182	0.034762106259211834	Different Family
[P00519, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P17948	5.42021640338319	5.522878745280337	0.10266234189714751	Different Family
[P00519, P17948]	c1ccc(cc1)COc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P17948	7.221848749616356	8.522878745280337	1.3010299956639813	Different Family
[P00519, P17948]	c1ccc(cc1)COc2ccc3c(c2)n[nH]c3c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P17948	6.698970004336019	7.958607314841775	1.259637310505756	Different Family
[P00519, P17948]	c1ccc(cc1)Oc2ccc3c(c2)c([nH]n3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P17948	7.522878745280337	7.552841968657781	0.02996322337744317	Different Family
[P00519, P17948]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P00519	P17948	6.221848749616356	7.552841968657781	1.3309932190414244	Different Family
[P00519, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P00519	P09619	5.154901959985743	5.142667503568732	0.012234456417011152	Different Family
[P00519, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P00519	P09619	4.568636235841013	4.154901959985743	0.41373427585527	Different Family
[P00519, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P00519	P09619	4.823908740944319	4.795880017344075	0.028028723600243666	Different Family
[P00519, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P09619	6.692308678930553	8.794190147018384	2.1018814680878304	Different Family
[P00519, P09619]	CCN1CCN(CC1)C2CCc3c2ccc(c3)C(=O)Nc4ccc(c(c4)Nc5nccc(n5)c6cccnc6)C	P00519	P09619	8.200659450546418	7.823908740944319	0.3767507096020992	Different Family
[P00519, P09619]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P09619	7.301029995663981	5.96537154337468	1.3356584522893016	Different Family
[P00519, P09619]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00519	P09619	5.645507399410564	5.677367288307777	0.03185988889721347	Different Family
[P00519, P09619]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P09619	7.698970004336019	5.976747540366288	1.7222224639697306	Different Family
[P00519, P09619]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P00519	P09619	7.273109859258178	7.585026652029182	0.3119167927710036	Different Family
[P00519, P09619]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P00519	P09619	6.346787486224656	8.301029995663981	1.9542425094393252	Different Family
[P00519, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P09619	5.892790030352131	5.7121982700697735	0.18059176028235768	Different Family
[P00519, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P09619	4.031517051446065	6.167491087293763	2.135974035847698	Different Family
[P00519, P09619]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P00519	P09619	7.657577319177793	8.3767507096021	0.7191733904243058	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P09619	6.8671002300555175	6.114412643810344	0.7526875862451732	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P09619	5.529736553034922	4.450996737974212	1.0787398150607093	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCC(C6)N(C)C	P00519	P09619	7.036058294834646	7.7508447231052	0.7147864282705534	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)C	P00519	P09619	6.386158178123931	7.3872161432802645	1.0010579651563338	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)OC(C)(C)C	P00519	P09619	5.689519108537325	6.632644078973981	0.9431249704366564	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(C)C	P00519	P09619	8.267606240177031	7.7447274948966935	0.5228787452803374	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)CCO	P00519	P09619	7.920818753952375	7.698970004336019	0.22184874961635614	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCNCC6	P00519	P09619	8.207608310501746	7.920818753952375	0.28678955654937077	Different Family
[P00519, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3ccncc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C	P00519	P09619	7.638272163982407	7.619788758288394	0.0184834056940133	Different Family
[P00519, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P09619	5.2839966563652006	5.337242168318426	0.05324551195322513	Different Family
[P00519, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P09619	5.619788758288394	5.657577319177793	0.03778856088939975	Different Family
[P00519, P09619]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P00519	P09619	5.886056647693163	6.767003889607846	0.8809472419146829	Different Family
[P00519, P09619]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P00519	P09619	4.958607314841775	4.552841968657781	0.40576534618399407	Different Family
[P00519, P09619]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P09619	6.567030709125595	9.397940008672037	2.830909299546443	Different Family
[P00519, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P09619	5.42021640338319	5.698970004336019	0.27875360095282886	Different Family
[P00519, P09619]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00519	P09619	7.619788758288394	7.0	0.6197887582883936	Different Family
[P00519, P09619]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00519	P09619	7.292429823902063	6.614393726401688	0.6780360975003754	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N	P00519	P10721	7.136677139879544	8.16692828635422	1.0302511464746766	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C	P00519	P10721	6.906578314837765	8.576831443935097	1.6702531290973317	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C	P00519	P10721	7.214670164989233	8.308541432456234	1.0938712674670015	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCOCC6	P00519	P10721	6.421360790031928	8.140168658490976	1.7188078684590486	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	P00519	P10721	7.3979400086720375	8.050637409205253	0.6526974005332153	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc(c3)Nc4c5ccccc5ncn4	P00519	P10721	7.638272163982407	7.521433504406157	0.11683865957625006	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)[N+](=O)[O-])NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)[N+](=O)[O-]	P00519	P10721	6.804100347590766	6.677563666526421	0.12653668106434512	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)[N+](=O)[O-])NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	P00519	P10721	7.376750709602099	7.7784467716313666	0.40169606202926733	Different Family
[P00519, P10721]	CC(C)(C)c1cc(n(n1)c2cccc(c2)[N+](=O)[O-])NC(=O)Nc3cccc(c3)Nc4c5ccccc5ncn4	P00519	P10721	8.045757490560675	7.534617148551582	0.5111403420090932	Different Family
[P00519, P10721]	CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cc(nn4c5cccc(c5)C)C(C)(C)C	P00519	P10721	6.411168274405793	7.234612093494794	0.8234438190890012	Different Family
[P00519, P10721]	CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cc(nn4c5cccc(c5)N)C(C)(C)C	P00519	P10721	6.950781977329818	7.887397067017049	0.9366150896872307	Different Family
[P00519, P10721]	CCN1CCN(CC1)C2CCc3c2ccc(c3)C(=O)Nc4ccc(c(c4)Nc5nccc(n5)c6cccnc6)C	P00519	P10721	8.200659450546418	7.585026652029182	0.6156327985172361	Different Family
[P00519, P10721]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P10721	7.301029995663981	6.051587034221399	1.2494429614425826	Different Family
[P00519, P10721]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P10721	7.698970004336019	5.82131076022441	1.8776592441116087	Different Family
[P00519, P10721]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P10721	7.851037714389285	6.39040559077478	1.4606321236145057	Different Family
[P00519, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P10721	5.903089986991944	5.718591958885132	0.1844980281068116	Different Family
[P00519, P10721]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P10721	6.8326826652518236	5.880084589742009	0.9525980755098145	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P00519	P10721	6.1250545639144685	8.001740661576301	1.8766860976618327	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P10721	6.8671002300555175	7.260111344915457	0.3930111148599398	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P10721	5.529736553034922	7.488116639021126	1.958380085986204	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl	P00519	P10721	5.158015195409886	6.610833915635467	1.4528187202255811	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCC(C6)N(C)C	P00519	P10721	7.036058294834646	7.3936399227910785	0.35758162795643234	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)C	P00519	P10721	6.386158178123931	6.276544327964814	0.10961385015911684	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)OC(C)(C)C	P00519	P10721	5.689519108537325	5.925915310971757	0.23639620243443193	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(C)C	P00519	P10721	8.267606240177031	7.638272163982407	0.629334076194624	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)CCO	P00519	P10721	7.920818753952375	7.494850021680094	0.42596873227228116	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCNCC6	P00519	P10721	8.207608310501746	7.795880017344075	0.4117282931576707	Different Family
[P00519, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3ccncc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C	P00519	P10721	7.638272163982407	6.279014255846261	1.3592579081361462	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	P00519	P10721	8.443697499232712	6.628932137728264	1.8147653615044481	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00519	P10721	7.6777807052660805	6.537602002101044	1.1401787031650361	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	P00519	P10721	7.886056647693163	6.115771230367396	1.7702854173257672	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	P00519	P10721	8.638272163982407	6.308918507877031	2.3293536561053756	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	P00519	P10721	8.327902142064282	6.621602099051862	1.70630004301242	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	P00519	P10721	8.638272163982407	6.375717904164332	2.2625542598180752	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	P00519	P10721	8.853871964321762	6.6020599913279625	2.2518119729937993	Different Family
[P00519, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00519	P10721	8.55284196865778	6.196542884351586	2.356299084306195	Different Family
[P00519, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P10721	5.2839966563652006	5.154901959985743	0.12909469637945747	Different Family
[P00519, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P10721	5.619788758288394	6.102372908709558	0.48258415042116454	Different Family
[P00519, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P10721	5.1938200260161125	6.173925197299173	0.9801051712830606	Different Family
[P00519, P10721]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P00519	P10721	5.886056647693163	6.301029995663981	0.4149733479708182	Different Family
[P00519, P10721]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P10721	6.567030709125595	8.0	1.4329692908744054	Different Family
[P00519, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P10721	5.42021640338319	5.657577319177793	0.2373609157946035	Different Family
[P00519, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	P36888	7.6020599913279625	7.346787486224656	0.25527250510330646	Different Family
[P00519, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P36888	6.692308678930553	9.698970004336019	3.0066613254054655	Different Family
[P00519, P36888]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P00519	P36888	5.792365632611038	7.756255301901422	1.963889669290384	Different Family
[P00519, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P36888	7.301029995663981	7.698970004336019	0.3979400086720375	Different Family
[P00519, P36888]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00519	P36888	5.645507399410564	5.166852888087215	0.4786545113233487	Different Family
[P00519, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P36888	7.698970004336019	7.698970004336019	0.0	Different Family
[P00519, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P36888	7.851037714389285	6.174573882232177	1.6764638321571086	Different Family
[P00519, P36888]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P00519	P36888	7.273109859258178	7.912928794093465	0.6398189348352865	Different Family
[P00519, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P36888	4.031517051446065	6.568636235841013	2.537119184394948	Different Family
[P00519, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P00519	P36888	6.1250545639144685	6.928854709548917	0.8038001456344483	Different Family
[P00519, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P36888	6.8671002300555175	6.054531414868181	0.8125688151873369	Different Family
[P00519, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P36888	5.529736553034922	6.011485634166334	0.48174908113141246	Different Family
[P00519, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P36888	5.107905397309519	7.657577319177793	2.549671921868274	Different Family
[P00519, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P36888	5.2839966563652006	5.366531544420414	0.08253488805521325	Different Family
[P00519, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P36888	5.619788758288394	5.481486060122113	0.1383026981662807	Different Family
[P00519, P36888]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P00519	P36888	5.886056647693163	7.439713034397075	1.5536563867039117	Different Family
[P00519, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P36888	5.42021640338319	6.142667503568732	0.722451100185542	Different Family
[P00519, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P00519	P06213	5.154901959985743	4.443697499232712	0.7112044607530308	Different Family
[P00519, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P00519	P06213	4.568636235841013	4.187086643357144	0.38154959248386877	Different Family
[P00519, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P00519	P06213	4.823908740944319	4.3872161432802645	0.4366925976640541	Different Family
[P00519, P06213]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P06213	6.692308678930553	7.286308885233723	0.5940002063031695	Different Family
[P00519, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P06213	5.118615343229427	4.522878745280337	0.5957365979490898	Different Family
[P00519, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P06213	5.498940737782249	4.730020323354676	0.7689204144275728	Different Family
[P00519, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P06213	4.675511766692344	4.522878745280337	0.1526330214120062	Different Family
[P00519, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P06213	4.522878745280337	4.522878745280337	0.0	Different Family
[P00519, P06213]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5cc6cc[nH]c6nc5	P00519	P06213	6.54515513999149	5.889410289700751	0.6557448502907386	Different Family
[P00519, P06213]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P06213	8.34518491628705	6.698970004336019	1.6462149119510308	Different Family
[P00519, P06213]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P06213	5.892790030352131	5.376750709602099	0.516039320750032	Different Family
[P00519, P06213]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P06213	4.031517051446065	4.717076090663241	0.6855590392171758	Different Family
[P00519, P06213]	COc1ccc(cc1)CNc2ccnc3c2c4ccccc4o3	P00519	P06213	3.406713932979543	3.2062096153091812	0.2005043176703616	Different Family
[P00519, P06213]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	P06213	6.040958607678906	5.3325470471100465	0.7084115605688597	Different Family
[P00519, P06213]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P06213	6.0915149811213505	5.209011524911184	0.8825034562101663	Different Family
[P00519, P06213]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P06213	5.2839966563652006	5.221848749616356	0.062147906748844406	Different Family
[P00519, P06213]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P06213	5.619788758288394	5.275724130399211	0.3440646278891828	Different Family
[P00519, P06213]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P06213	5.1938200260161125	5.807697862331014	0.6138778363149013	Different Family
[P00519, P06213]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P00519	P06213	4.958607314841775	3.8239087409443187	1.134698573897456	Different Family
[P00519, P06213]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P06213	5.42021640338319	5.0655015487564325	0.35471485462675734	Different Family
[P00519, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P16234	6.692308678930553	9.221848749616356	2.529540070685803	Different Family
[P00519, P16234]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P16234	7.301029995663981	6.172630726946175	1.1283992687178062	Different Family
[P00519, P16234]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00519	P16234	5.645507399410564	5.444180316938809	0.2013270824717548	Different Family
[P00519, P16234]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P16234	7.698970004336019	5.892790030352131	1.8061799739838875	Different Family
[P00519, P16234]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P00519	P16234	7.657577319177793	7.346787486224656	0.31078983295313733	Different Family
[P00519, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P16234	5.903089986991944	5.943095148663527	0.04000516167158352	Different Family
[P00519, P16234]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P16234	6.8326826652518236	6.182434630440219	0.6502480348116046	Different Family
[P00519, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P00519	P16234	6.1250545639144685	7.585695311871668	1.4606407479572	Different Family
[P00519, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P16234	6.8671002300555175	8.086186147616283	1.2190859175607658	Different Family
[P00519, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P16234	5.529736553034922	7.076393356982541	1.5466568039476192	Different Family
[P00519, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl	P00519	P16234	5.158015195409886	6.856985199745905	1.6989700043360187	Different Family
[P00519, P16234]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P16234	5.1938200260161125	6.045757490560675	0.8519374645445623	Different Family
[P00519, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P16234	6.567030709125595	8.920818753952375	2.3537880448267803	Different Family
[P00519, P00533]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P00519	P00533	5.154901959985743	7.107905397309519	1.9530034373237761	Different Family
[P00519, P00533]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P00519	P00533	4.568636235841013	5.920818753952375	1.3521825181113618	Different Family
[P00519, P00533]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P00519	P00533	4.823908740944319	5.886056647693163	1.0621479067488444	Different Family
[P00519, P00533]	CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	P00519	P00533	6.853871964321762	6.214670164989233	0.639201799332529	Different Family
[P00519, P00533]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P00519	P00533	6.086186147616283	6.292429823902063	0.20624367628578	Different Family
[P00519, P00533]	CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	P00519	P00533	7.154901959985743	6.020451625295905	1.1344503346898378	Different Family
[P00519, P00533]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P00533	6.692308678930553	6.998856140607032	0.3065474616764785	Different Family
[P00519, P00533]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P00519	P00533	6.247183568811729	7.494850021680094	1.2476664528683648	Different Family
[P00519, P00533]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P00519	P00533	5.769551078621726	6.154901959985743	0.3853508813640172	Different Family
[P00519, P00533]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00519	P00533	5.645507399410564	9.698970004336019	4.053462604925455	Different Family
[P00519, P00533]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00519	P00533	6.82102305270683	6.639661862517983	0.18136119018884767	Different Family
[P00519, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P00533	5.118615343229427	4.522878745280337	0.5957365979490898	Different Family
[P00519, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P00533	5.498940737782249	4.522878745280337	0.9760619925019114	Different Family
[P00519, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P00533	4.675511766692344	4.522878745280337	0.1526330214120062	Different Family
[P00519, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P00533	4.522878745280337	4.522878745280337	0.0	Different Family
[P00519, P00533]	CN1CCN(CC1)Cc2cc(co2)c3cc4c(cc3OC)c(c(cn4)C#N)Nc5cc(c(cc5Cl)Cl)OC	P00519	P00533	9.397940008672037	6.638272163982407	2.7596678446896306	Different Family
[P00519, P00533]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P00533	5.892790030352131	4.6020599913279625	1.2907300390241687	Different Family
[P00519, P00533]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P00533	4.031517051446065	4.645365019512084	0.6138479680660192	Different Family
[P00519, P00533]	COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	P00519	P00533	6.468521082957745	5.638272163982407	0.8302489189753377	Different Family
[P00519, P00533]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P00533	5.903089986991944	6.045757490560675	0.14266750356873104	Different Family
[P00519, P00533]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P00533	6.0915149811213505	6.229147988357856	0.13763300723650573	Different Family
[P00519, P00533]	Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	P00519	P00533	5.920818753952375	6.411168274405793	0.4903495204534183	Different Family
[P00519, P00533]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00519	P00533	7.6777807052660805	6.42021640338319	1.2575643018828906	Different Family
[P00519, P00533]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00519	P00533	8.55284196865778	7.086186147616283	1.4666558210414973	Different Family
[P00519, P00533]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P00519	P00533	7.7447274948966935	6.585026652029182	1.1597008428675117	Different Family
[P00519, P00533]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	P00533	4.919734372660155	5.367542707815276	0.44780833515512075	Different Family
[P00519, P00533]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	P00533	4.786216700664696	5.388276691992658	0.6020599913279625	Different Family
[P00519, P00533]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P00533	5.1938200260161125	5.638272163982407	0.44445213796629446	Different Family
[P00519, P00533]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P00519	P00533	4.958607314841775	7.481486060122113	2.5228787452803383	Different Family
[P00519, P00533]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P00519	P00533	7.251811972993799	7.568636235841013	0.31682426284721377	Different Family
[P00519, P00533]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00519	P00533	7.619788758288394	7.376750709602099	0.24303804868629442	Different Family
[P00519, P00533]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00519	P00533	7.292429823902063	8.698970004336019	1.4065401804339555	Different Family
[P00519, P07949]	CC(C)n1c2c(c(n1)C#Cc3cccc(c3)N)c(ncn2)N	P00519	P07949	6.338270816575266	6.958607314841775	0.6203364982665089	Different Family
[P00519, P07949]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P00519	P07949	5.30189945437661	6.6777807052660805	1.3758812508894707	Different Family
[P00519, P07949]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	P07949	7.6020599913279625	7.337242168318426	0.2648178230095368	Different Family
[P00519, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P07949	6.692308678930553	8.497903821870143	1.8055951429395893	Different Family
[P00519, P07949]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P00519	P07949	6.247183568811729	6.459670525209126	0.212486956397397	Different Family
[P00519, P07949]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P00519	P07949	5.792365632611038	6.3977953161789305	0.6054296835678921	Different Family
[P00519, P07949]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P07949	7.301029995663981	8.154901959985743	0.8538719643217618	Different Family
[P00519, P07949]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P00519	P07949	5.9177536797931	6.223298816011589	0.30554513621848844	Different Family
[P00519, P07949]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P00519	P07949	6.935542010773082	6.539102157243452	0.39643985352963007	Different Family
[P00519, P07949]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00519	P07949	6.82102305270683	7.07860800348583	0.257584950779	Different Family
[P00519, P07949]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P07949	7.698970004336019	9.0	1.3010299956639813	Different Family
[P00519, P07949]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P07949	7.851037714389285	7.508638306165727	0.3423994082235584	Different Family
[P00519, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P07949	5.892790030352131	5.080921907623926	0.811868122728205	Different Family
[P00519, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P07949	5.903089986991944	6.017728766960431	0.11463877996848737	Different Family
[P00519, P07949]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P07949	6.8326826652518236	7.958607314841775	1.125924649589951	Different Family
[P00519, P07949]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P07949	5.199076818186782	5.181510177795786	0.017566640390995758	Different Family
[P00519, P07949]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P07949	5.107905397309519	6.1938200260161125	1.0859146287065933	Different Family
[P00519, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P07949	5.2839966563652006	5.221848749616356	0.062147906748844406	Different Family
[P00519, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P07949	5.619788758288394	5.431798275933005	0.18799048235538862	Different Family
[P00519, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P07949	5.1938200260161125	8.096910013008056	2.9030899869919438	Different Family
[P00519, P07949]	c1cc(ccc1C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N)Cl	P00519	P07949	4.221848749616356	6.161150909262744	1.9393021596463882	Different Family
[P00519, P07949]	c1cc(sc1)c2c3c(nc(c2C#N)SCc4ccc(cc4)F)CCCC3	P00519	P07949	4.130768280269024	5.318758762624412	1.1879904823553886	Different Family
[P00519, P07949]	c1ccc(cc1)C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N	P00519	P07949	6.537602002101044	5.468521082957745	1.0690809191432997	Different Family
[P00519, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P07949	5.42021640338319	5.309803919971486	0.11041248341170373	Different Family
[P00519, P07949]	c1ccc(cc1)CSc2c(c(c3c(n2)CCCC3)c4cccs4)C#N	P00519	P07949	4.142667503568732	5.795880017344075	1.653212513775343	Different Family
[P00519, P07947]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P00519	P07947	5.218244625347531	5.0996328713435295	0.11861175400400192	Different Family
[P00519, P07947]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P07947	6.692308678930553	8.356547323513812	1.6642386445832589	Different Family
[P00519, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P00519	P07947	6.692503962086787	6.794795636051855	0.10229167396506789	Different Family
[P00519, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P00519	P07947	5.892111974817201	6.304518323509803	0.41240634869260173	Different Family
[P00519, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P00519	P07947	6.2380721615794705	6.546681659952962	0.3086094983734915	Different Family
[P00519, P07947]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P00519	P07947	5.9177536797931	6.247183568811729	0.3294298890186287	Different Family
[P00519, P07947]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P00519	P07947	6.935542010773082	7.920818753952375	0.985276743179293	Different Family
[P00519, P07947]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P00519	P07947	4.599462010608054	4.656394491895829	0.05693248128777473	Different Family
[P00519, P07947]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.872895201635193	5.991399828238082	0.1185046266028893	Different Family
[P00519, P07947]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P07947	5.270025714300444	5.150580586203101	0.1194451280973432	Different Family
[P00519, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	P07947	5.863279432843593	5.696803942579511	0.16647549026408193	Different Family
[P00519, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.6439741428068775	5.272458742971444	0.3715153998354337	Different Family
[P00519, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P07947	5.603800652904264	5.617982957425132	0.014182304520867994	Different Family
[P00519, P07947]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P07947	5.112945621949043	4.954677021213342	0.15826860073570082	Different Family
[P00519, P07947]	COc1ccccc1Nc2c3c(ccn2)nc(cn3)c4ccccc4	P00519	P07947	4.779630367548606	4.689731633367552	0.08989873418105354	Different Family
[P00519, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P07947	6.8326826652518236	7.443697499232713	0.6110148339808896	Different Family
[P00519, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P00519	P07947	5.139721900247765	6.157390760389438	1.017668860141673	Different Family
[P00519, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P00519	P07947	5.123493495734119	6.46344155742847	1.3399480616943507	Different Family
[P00519, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P07947	5.199076818186782	7.1487416512809245	1.9496648330941424	Different Family
[P00519, P07947]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P07947	5.164943898279883	5.054531414868181	0.11041248341170284	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.575118363368933	5.0915149811213505	0.4836033822475825	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P07947	4.938547520912807	4.898596649444669	0.039950871468137805	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.595166283380062	5.20690839982342	0.38825788355664237	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3cc(ncc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P07947	4.889410289700751	4.565271458220242	0.3241388314805089	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.059981844992337	4.636200054520891	0.4237817904714465	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P07947	5.665546248849069	5.2549252084179425	0.4106210404311268	Different Family
[P00519, P07947]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P07947	5.278189384787454	5.291579099865287	0.013389715077833486	Different Family
[P00519, P11309]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(cc3)OC	P00519	P11309	4.681102285372513	4.430626090384954	0.25047619498755935	Different Group
[P00519, P11309]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P00519	P11309	5.481486060122113	7.299988937677887	1.8185028775557743	Different Group
[P00519, P11309]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P00519	P11309	4.599462010608054	4.7848914189469065	0.18542940833885257	Different Group
[P00519, P11309]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.872895201635193	4.928117992693875	0.9447772089413178	Different Group
[P00519, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	P11309	5.863279432843593	5.0670191780768015	0.7962602547667919	Different Group
[P00519, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.6439741428068775	5.548213564475709	0.09576057833116813	Different Group
[P00519, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P11309	5.603800652904264	5.356547323513812	0.24725332939045153	Different Group
[P00519, P11309]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P11309	5.112945621949043	4.945386945443112	0.16755867650593093	Different Group
[P00519, P11309]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P11309	6.567030709125595	7.267606240177032	0.7005755310514372	Different Group
[P00519, P11309]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P11309	5.164943898279883	4.505845405981558	0.6590984922983258	Different Group
[P00519, P11309]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.575118363368933	5.308918507877031	0.2661998554919016	Different Group
[P00519, P11309]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.595166283380062	5.55129368009492	0.0438726032851422	Different Group
[P00519, P11309]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.059981844992337	4.562249437179612	0.497732407812725	Different Group
[P00519, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P11309	5.665546248849069	5.583359492661719	0.08218675618735016	Different Group
[P00519, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P11309	5.278189384787454	5.080921907623926	0.19726747716352744	Different Group
[P00519, P06239]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P00519	P06239	6.086186147616283	7.102372908709558	1.0161867610932749	Different Family
[P00519, P06239]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P00519	P06239	6.692503962086787	6.578396073130169	0.11410788895661828	Different Family
[P00519, P06239]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P00519	P06239	5.892111974817201	6.209714835966758	0.31760286114955694	Different Family
[P00519, P06239]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P00519	P06239	6.2380721615794705	6.30715308072277	0.06908091914329972	Different Family
[P00519, P06239]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P00519	P06239	5.769551078621726	7.2839966563652006	1.5144455777434747	Different Family
[P00519, P06239]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	P00519	P06239	5.337242168318426	5.481486060122113	0.14424389180368724	Different Family
[P00519, P06239]	CN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	P00519	P06239	5.251811972993799	4.962573502059376	0.2892384709344231	Different Family
[P00519, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P06239	5.118615343229427	6.214670164989233	1.0960548217598056	Different Family
[P00519, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P06239	5.498940737782249	5.866461091629782	0.36752035384753334	Different Family
[P00519, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P06239	4.675511766692344	4.823330067331851	0.14781830063950707	Different Family
[P00519, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P06239	4.522878745280337	5.434152181326482	0.9112734360461445	Different Family
[P00519, P06239]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P06239	8.34518491628705	6.47755576649368	1.8676291497933697	Different Family
[P00519, P06239]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P06239	7.851037714389285	6.809668301829708	1.0413694125595772	Different Family
[P00519, P06239]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P00519	P06239	6.686132779630847	6.866461091629782	0.1803283119989354	Different Family
[P00519, P06239]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P06239	5.892790030352131	5.958607314841775	0.06581728448964341	Different Family
[P00519, P06239]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P00519	P06239	7.657577319177793	7.0	0.6575773191777934	Different Family
[P00519, P06239]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P06239	5.903089986991944	6.212221349969987	0.309131362978043	Different Family
[P00519, P06239]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P06239	6.0915149811213505	6.657577319177793	0.5660623380564429	Different Family
[P00519, P06239]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P06239	6.8326826652518236	6.711541522017397	0.12114114323442671	Different Family
[P00519, P06239]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P00519	P06239	6.1250545639144685	4.95663772197887	1.1684168419355982	Different Family
[P00519, P06239]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P06239	6.8671002300555175	5.839231438138872	1.0278687919166458	Different Family
[P00519, P06239]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P06239	5.529736553034922	4.350470434052181	1.1792661189827403	Different Family
[P00519, P06239]	Cc1ccc(cc1c2cn3c4c(=O)[nH]c(=O)n(c4nc3n2c5ccccc5OC)C)O	P00519	P06239	9.036212172654444	8.886056647693163	0.15015552496128137	Different Family
[P00519, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P06239	3.899629454882437	3.9469215565165805	0.047292101634143435	Different Family
[P00519, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P06239	5.154901959985743	4.698970004336019	0.45593195564972433	Different Family
[P00519, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P06239	5.2839966563652006	5.2839966563652006	0.0	Different Family
[P00519, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P06239	5.619788758288394	5.522878745280337	0.09691001300805624	Different Family
[P00519, P06239]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P06239	5.1938200260161125	6.161150909262744	0.9673308832466319	Different Family
[P00519, P06239]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P06239	6.567030709125595	8.481486060122112	1.9144553509965174	Different Family
[P00519, P06239]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P06239	5.42021640338319	5.698970004336019	0.27875360095282886	Different Family
[P00519, Q16539]	CC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	Q16539	8.318758762624412	6.966576244513051	1.3521825181113618	Different Group
[P00519, Q16539]	CC(=O)Nc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	Q16539	8.301029995663981	6.600326278518962	1.7007037171450197	Different Group
[P00519, Q16539]	CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	Q16539	7.920818753952375	6.52432881167557	1.396489942276805	Different Group
[P00519, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	Q16539	6.692308678930553	7.978810700930062	1.2865020219995085	Different Group
[P00519, Q16539]	CCc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	Q16539	7.657577319177793	6.123782159408358	1.5337951597694355	Different Group
[P00519, Q16539]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	Q16539	8.34518491628705	4.919012953089113	3.4261719631979366	Different Group
[P00519, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	Q16539	5.892790030352131	5.431798275933005	0.4609917544191262	Different Group
[P00519, Q16539]	Cc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	Q16539	7.522878745280337	6.311580177997289	1.2112985672830483	Different Group
[P00519, Q16539]	Cc1ccc(cc1C#Cc2cncc3n2ccn3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P00519	Q16539	9.306939584650792	7.366531544420414	1.9404080402303778	Different Group
[P00519, Q16539]	Cc1ccc(cc1N)Nc2ncc(c(n2)NC)C(=O)Nc3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F	P00519	Q16539	7.154901959985743	7.2076083105017466	0.052706350516003475	Different Group
[P00519, Q16539]	Cn1c(cc(n1)NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCN(CC3)C)C#Cc4cncc5n4ccn5	P00519	Q16539	8.471889591877488	7.455931955649724	1.015957636227764	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	P00519	Q16539	8.443697499232712	8.0	0.4436974992327123	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)CCO	P00519	Q16539	8.086186147616283	6.958607314841775	1.1275788327745087	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00519	Q16539	7.6777807052660805	7.301029995663981	0.3767507096020992	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	P00519	Q16539	7.886056647693163	6.649751981665837	1.2363046660273262	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	P00519	Q16539	8.638272163982407	7.292429823902063	1.3458423400803436	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	P00519	Q16539	8.327902142064282	7.468521082957745	0.8593810591065374	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCl	P00519	Q16539	8.119186407719209	6.8696662315049934	1.2495201762142152	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	P00519	Q16539	8.638272163982407	7.494850021680094	1.1434221423023132	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)O	P00519	Q16539	8.275724130399212	6.978810700930062	1.29691342946915	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	P00519	Q16539	8.853871964321762	7.823908740944319	1.0299632233774432	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00519	Q16539	8.55284196865778	6.853871964321762	1.6989700043360187	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)COCC(CO)O	P00519	Q16539	8.309803919971486	6.481486060122113	1.8283178598493732	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)N	P00519	Q16539	8.602059991327963	6.876148359032914	1.7259116322950483	Different Group
[P00519, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)O	P00519	Q16539	8.585026652029182	6.728158393463501	1.8568682585656804	Different Group
[P00519, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	Q16539	5.1938200260161125	5.318758762624412	0.1249387366082999	Different Group
[P00519, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	Q16539	6.567030709125595	7.958607314841775	1.39157660571618	Different Group
[P00519, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P49841	5.118615343229427	4.522878745280337	0.5957365979490898	Different Group
[P00519, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P49841	5.498940737782249	4.522878745280337	0.9760619925019114	Different Group
[P00519, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P49841	4.675511766692344	4.522878745280337	0.1526330214120062	Different Group
[P00519, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P00519, P49841]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P00519	P49841	5.481486060122113	6.060480747381382	0.5789946872592688	Different Group
[P00519, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P49841	4.031517051446065	5.958607314841775	1.9270902633957094	Different Group
[P00519, P49841]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	P49841	6.040958607678906	5.774690718274137	0.2662678894047694	Different Group
[P00519, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P49841	6.0915149811213505	5.111259039317107	0.9802559418042431	Different Group
[P00519, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P49841	3.899629454882437	3.8601209135987635	0.03950854128367354	Different Group
[P00519, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P49841	5.154901959985743	4.259637310505756	0.8952646494799872	Different Group
[P00519, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P49841	5.1938200260161125	5.7447274948966935	0.5509074688805811	Different Group
[P00519, P49841]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P49841	6.567030709125595	7.886056647693163	1.3190259385675684	Different Group
[P00519, P12931]	CC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	P12931	8.318758762624412	7.366531544420414	0.9522272182039986	Different Family
[P00519, P12931]	CC(=O)Nc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	P12931	8.301029995663981	6.823908740944319	1.4771212547196626	Different Family
[P00519, P12931]	CC(C)(C)NC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P12931	5.025028005701931	6.7121982700697735	1.6871702643678423	Different Family
[P00519, P12931]	CC(C)(C)OC(=O)Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P12931	5.530177984021837	9.0	3.4698220159781634	Different Family
[P00519, P12931]	CC(C)(C)OC(=O)Cc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P12931	6.431798275933005	9.0	2.568201724066995	Different Family
[P00519, P12931]	CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	P12931	7.920818753952375	6.671620396561262	1.249198357391113	Different Family
[P00519, P12931]	CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N5CCCCC5)N	P00519	P12931	6.092588639225414	9.221848749616356	3.129260110390942	Different Family
[P00519, P12931]	CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCN(CC4)C)N	P00519	P12931	5.328827157284917	7.6777807052660805	2.3489535479811634	Different Family
[P00519, P12931]	CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	P00519	P12931	6.853871964321762	6.619788758288394	0.23408320603336819	Different Family
[P00519, P12931]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P00519	P12931	6.086186147616283	6.173925197299173	0.08773904968288981	Different Family
[P00519, P12931]	CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	P00519	P12931	7.154901959985743	7.823908740944319	0.6690067809585756	Different Family
[P00519, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P00519	P12931	6.692503962086787	7.337242168318426	0.6447382062316382	Different Family
[P00519, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P00519	P12931	5.892111974817201	6.958607314841775	1.0664953400245736	Different Family
[P00519, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P00519	P12931	6.2380721615794705	7.1487416512809245	0.910669489701454	Different Family
[P00519, P12931]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P00519	P12931	5.9177536797931	5.610568183714541	0.30718549607855916	Different Family
[P00519, P12931]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P00519	P12931	5.769551078621726	6.42021640338319	0.650665324761464	Different Family
[P00519, P12931]	CCc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	P12931	7.657577319177793	6.6307841425898575	1.026793176587936	Different Family
[P00519, P12931]	CCn1c(ccn1)CNc2cc3cc([nH]c3nc2)C(=O)OC	P00519	P12931	6.120904120499927	5.93292914395463	0.1879749765452967	Different Family
[P00519, P12931]	CN(C)C1CCN(CC1)CCn2c3c(c(n2)c4ccc(c(c4)OC)NCc5ccccc5)c(ncn3)N	P00519	P12931	5.0	8.455931955649724	3.4559319556497243	Different Family
[P00519, P12931]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P00519	P12931	6.935542010773082	7.568636235841013	0.6330942250679312	Different Family
[P00519, P12931]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00519	P12931	5.645507399410564	5.7617029321246065	0.11619553271404293	Different Family
[P00519, P12931]	CN(C)Cc1cc(co1)c2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC	P00519	P12931	9.366531544420413	9.1249387366083	0.241592807812113	Different Family
[P00519, P12931]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00519	P12931	6.82102305270683	7.0435171896479485	0.2224941369411182	Different Family
[P00519, P12931]	CN1CCN(CC1)Cc2cc(co2)c3cc4c(cc3OC)c(c(cn4)C#N)Nc5cc(c(cc5Cl)Cl)OC	P00519	P12931	9.397940008672037	9.10790539730952	0.2900346113625183	Different Family
[P00519, P12931]	CN1CCN(CC1)Cc2cc(co2)c3ccc4c(c3)ncc(c4Nc5cc(c(cc5Cl)Cl)OC)C#N	P00519	P12931	9.366531544420413	8.568636235841012	0.7978953085794007	Different Family
[P00519, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P12931	8.34518491628705	5.363512103646634	2.981672812640415	Different Family
[P00519, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P00519	P12931	6.686132779630847	6.3585258894959	0.3276068901349465	Different Family
[P00519, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P12931	5.892790030352131	5.2403321553103694	0.6524578750417618	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NC(=O)c3c(cccc3Cl)Cl	P00519	P12931	7.431798275933005	7.5376020021010435	0.10580372616803846	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NC(=O)c3ccccc3C(F)(F)F	P00519	P12931	6.357535479757878	5.948076083953893	0.40945939580398516	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3c(cccc3Cl)Cl	P00519	P12931	8.275724130399212	8.022276394711152	0.25344773568805934	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3cc[nH]n3	P00519	P12931	6.2262135550188065	5.831797253157369	0.3944163018614377	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3ccc4c(c3)cc[nH]4	P00519	P12931	7.4089353929735005	6.11975822410452	1.2891771688689806	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3ccccc3Br	P00519	P12931	6.882728704344236	6.774690718274138	0.10803798607009796	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3ccccc3C(F)(F)F	P00519	P12931	6.779891911959945	5.846795099915716	0.9330968120442291	Different Family
[P00519, P12931]	COC(=O)c1cc2cc(cnc2[nH]1)NCc3cccs3	P00519	P12931	6.826813731587726	6.679853713888946	0.1469600176987802	Different Family
[P00519, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P12931	4.031517051446065	4.68837535480105	0.6568583033549844	Different Family
[P00519, P12931]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P00519	P12931	7.657577319177793	6.732828271596986	0.9247490475808071	Different Family
[P00519, P12931]	COc1cc2c(cc1c3cc(oc3)CN4CCN(CC4)c5ccccc5)ncc(c2Nc6cc(c(cc6Cl)Cl)OC)C#N	P00519	P12931	9.366531544420413	8.443697499232712	0.9228340451877006	Different Family
[P00519, P12931]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	P12931	6.040958607678906	5.432973633840939	0.6079849738379668	Different Family
[P00519, P12931]	COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	P00519	P12931	6.468521082957745	6.769551078621726	0.30102999566398125	Different Family
[P00519, P12931]	COc1ccccc1CNc2cc3cc([nH]c3nc2)C(=O)OC	P00519	P12931	6.288192770958809	5.65286521708998	0.6353275538688292	Different Family
[P00519, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P12931	5.903089986991944	5.771086594005312	0.13200339298663177	Different Family
[P00519, P12931]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P00519	P12931	6.42021640338319	6.508638306165727	0.08842190278253703	Different Family
[P00519, P12931]	Cc1cc2c(cc1CNc3cc4cc([nH]c4nc3)C(=O)OC)nc[nH]2	P00519	P12931	6.782516055786093	5.517555208081735	1.2649608477043586	Different Family
[P00519, P12931]	Cc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00519	P12931	7.522878745280337	6.308034897232639	1.214843848047698	Different Family
[P00519, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P00519	P12931	5.139721900247765	5.982966660701219	0.8432447604534543	Different Family
[P00519, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P00519	P12931	5.123493495734119	6.518557371497695	1.3950638757635758	Different Family
[P00519, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P00519	P12931	5.199076818186782	6.8996294548824375	1.7005526366956554	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P00519	P12931	7.318758762624412	7.075720713938118	0.24303804868629442	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3)C(=O)Nc4cc(ccn4)C(F)(F)F	P00519	P12931	7.42021640338319	6.512861624522814	0.907354778860376	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC)NC(=O)c4cccc(c4)C(F)(F)F	P00519	P12931	4.6020599913279625	4.2839966563652006	0.31806333496276196	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)N6CCN(CC6)C)C(F)(F)F	P00519	P12931	4.619788758288394	4.3872161432802645	0.2325726150081291	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)N6CCOCC6)C(F)(F)F	P00519	P12931	4.142667503568732	4.481486060122113	0.338818556553381	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(ccc5F)C(F)(F)F	P00519	P12931	3.6270879970298933	4.0655015487564325	0.4384135517265393	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(nn5C)C(C)(C)C	P00519	P12931	3.835647144215563	4.337242168318426	0.5015950241028628	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(on5)C(C)(C)C	P00519	P12931	4.638272163982407	5.180456064458132	0.5421839004757247	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P00519	P12931	4.431798275933005	4.346787486224656	0.08501078970834897	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cccc(c5)C(C)(C)C	P00519	P12931	4.229147988357856	5.318758762624412	1.0896107742665562	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cccc(c5)C(C)C	P00519	P12931	4.221848749616356	4.337242168318426	0.11539341870206954	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5cccc(c5)C(F)(F)F	P00519	P12931	4.638272163982407	4.958607314841775	0.3203351508593677	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)C(=O)Nc5ncc(s5)C(C)(C)C	P00519	P12931	3.5734887386354246	3.5086383061657274	0.06485043246969724	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)NC(=O)Nc5cccc(c5)C(F)(F)F	P00519	P12931	4.207608310501746	3.2865094569060576	0.9210988535956881	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	4.130768280269024	4.040958607678906	0.08980967259011763	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3NCCCN(C)C)NC(=O)c4cccc(c4)C(F)(F)F	P00519	P12931	3.8041003475907664	3.7986028756795487	0.005497471911217744	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3Nc4ccc(cc4)P(=O)(C)C)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	5.2441251443275085	5.42021640338319	0.17609125905568135	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3Nc4ccccn4)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	3.614393726401688	3.696803942579511	0.08241021617782307	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3Nc4cccnc4)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	4.585026652029182	5.031517051446065	0.4464903994168834	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3Nc4ccncc4)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	5.00436480540245	5.327902142064283	0.3235373366618326	Different Family
[P00519, P12931]	Cc1ccc(cc1C=Cn2cnc3c2ncnc3Nc4ccncn4)NC(=O)c5cccc(c5)C(F)(F)F	P00519	P12931	4.3979400086720375	4.585026652029182	0.1870866433571443	Different Family
[P00519, P12931]	Cc1ccc(cc1CCn2cnc3c2ncnc3NC)NC(=O)c4cccc(c4)C(F)(F)F	P00519	P12931	4.017728766960432	3.5228787452803374	0.4948500216800946	Different Family
[P00519, P12931]	Cc1ccc(cc1N)Nc2ncc(c(n2)NC)C(=O)Nc3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F	P00519	P12931	7.154901959985743	7.045757490560675	0.10914446942506828	Different Family
[P00519, P12931]	Cc1ccc(cc1c2cn3c4c(=O)[nH]c(=O)n(c4nc3n2c5ccccc5OC)C)O	P00519	P12931	9.036212172654444	8.943095148663527	0.09311702399091715	Different Family
[P00519, P12931]	Cc1cccc(c1C(=O)Nc2cc3cc([nH]c3nc2)C(=O)OC)Cl	P00519	P12931	7.552841968657781	7.267606240177032	0.28523572848074874	Different Family
[P00519, P12931]	Cc1cccc(c1CNc2cc3cc([nH]c3nc2)C(=O)OC)Cl	P00519	P12931	8.853871964321762	8.468521082957745	0.3853508813640172	Different Family
[P00519, P12931]	Cc1ccccc1C(=O)Nc2cc3cc([nH]c3nc2)C(=O)OC	P00519	P12931	7.522878745280337	7.292429823902063	0.2304489213782741	Different Family
[P00519, P12931]	Cc1ccccc1CNc2cc3cc([nH]c3nc2)C(=O)OC	P00519	P12931	7.721246399047171	7.920818753952375	0.19957235490520375	Different Family
[P00519, P12931]	Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	P00519	P12931	5.920818753952375	5.958607314841775	0.03778856088939975	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	P00519	P12931	8.443697499232712	7.455931955649724	0.987765543582988	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)CCO	P00519	P12931	8.086186147616283	8.036212172654444	0.04997397496183886	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	P00519	P12931	7.886056647693163	6.467245621007502	1.4188110266856606	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	P00519	P12931	8.638272163982407	7.443697499232713	1.1945746647496938	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	P00519	P12931	8.327902142064282	7.7447274948966935	0.5831746471675885	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCl	P00519	P12931	8.119186407719209	6.363512103646634	1.7556743040725742	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	P00519	P12931	8.638272163982407	7.42021640338319	1.218055760599217	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)O	P00519	P12931	8.275724130399212	6.651695136951839	1.6240289934473724	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	P00519	P12931	8.853871964321762	7.522878745280337	1.3309932190414244	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00519	P12931	8.55284196865778	7.806091604354698	0.7467503643030824	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)COCC(CO)O	P00519	P12931	8.309803919971486	7.180456064458132	1.1293478555133545	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)N	P00519	P12931	8.602059991327963	7.42021640338319	1.1818435879447726	Different Family
[P00519, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)O	P00519	P12931	8.585026652029182	7.366531544420414	1.218495107608768	Different Family
[P00519, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P12931	3.899629454882437	3.8239087409443187	0.07572071393811841	Different Family
[P00519, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P12931	5.154901959985743	4.7447274948966935	0.41017446508904953	Different Family
[P00519, P12931]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P00519	P12931	7.7447274948966935	7.853871964321762	0.10914446942506828	Different Family
[P00519, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P12931	5.2839966563652006	5.337242168318426	0.05324551195322513	Different Family
[P00519, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P12931	5.619788758288394	5.6020599913279625	0.01772876696043113	Different Family
[P00519, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P12931	6.567030709125595	8.102372908709558	1.5353421995839636	Different Family
[P00519, P12931]	c1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	P00519	P12931	6.3979400086720375	4.804100347590766	1.5938396610812715	Different Family
[P00519, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P12931	5.42021640338319	5.337242168318426	0.0829742350647642	Different Family
[P00519, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P00519	P12931	7.251811972993799	6.1904402853647325	1.0613716876290669	Different Family
[P00519, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00519	P12931	7.619788758288394	6.192464971931146	1.4273237863572472	Different Family
[P00519, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00519	P12931	7.292429823902063	7.494850021680094	0.20242019777803044	Different Family
[P00519, P12931]	c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCNC(=N)N)Cc4c[nH]c5c4cccc5)CCCNC(=N)N)Cc6c[nH]c7c6cccc7)CCCNC(=N)N)Cc8c[nH]c9c8cccc9)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N	P00519	P12931	5.508638306165727	5.824875990832918	0.3162376846671915	Different Family
[P00519, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	P35968	7.6020599913279625	7.657577319177793	0.05551732784983088	Different Family
[P00519, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P00519	P35968	7.301029995663981	7.619788758288394	0.3187587626244124	Different Family
[P00519, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P00519	P35968	7.698970004336019	7.6777807052660805	0.021189299069938272	Different Family
[P00519, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P35968	7.851037714389285	6.364516253185088	1.4865214612041973	Different Family
[P00519, P35968]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P00519	P35968	6.346787486224656	7.187086643357144	0.8402991571324883	Different Family
[P00519, P35968]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P00519	P35968	5.481486060122113	5.4089353929735005	0.07255066714861247	Different Family
[P00519, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P35968	5.892790030352131	5.107905397309519	0.784884633042612	Different Family
[P00519, P35968]	COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3	P00519	P35968	5.301029995663981	5.055517327849832	0.2455126678141495	Different Family
[P00519, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.872895201635193	5.701146923590294	0.17174827804489912	Different Family
[P00519, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P35968	5.270025714300444	4.920818753952375	0.3492069603480692	Different Family
[P00519, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	P35968	5.863279432843593	5.795880017344075	0.06739941549951833	Different Family
[P00519, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.6439741428068775	5.688246138944246	0.04427199613736832	Different Family
[P00519, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P35968	5.603800652904264	5.480172006224281	0.12362864667998252	Different Family
[P00519, P35968]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P35968	5.112945621949043	5.053547734986927	0.0593978869621159	Different Family
[P00519, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P35968	5.903089986991944	5.375717904164332	0.527372082827612	Different Family
[P00519, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P00519	P35968	6.42021640338319	5.4089353929735005	1.0112810104096894	Different Family
[P00519, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P00519	P35968	6.8326826652518236	5.795880017344075	1.0368026479077486	Different Family
[P00519, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P35968	5.107905397309519	7.356547323513813	2.248641926204294	Different Family
[P00519, P35968]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P00519	P35968	7.7447274948966935	7.3872161432802645	0.357511351616429	Different Family
[P00519, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	P35968	4.919734372660155	4.875821944525325	0.04391242813483043	Different Family
[P00519, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	P35968	4.786216700664696	4.796967112985289	0.010750412320593483	Different Family
[P00519, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P35968	5.2839966563652006	5.301029995663981	0.017033339298780703	Different Family
[P00519, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P35968	5.619788758288394	6.0	0.38021124171160636	Different Family
[P00519, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P35968	5.1938200260161125	6.356547323513812	1.1627272974976997	Different Family
[P00519, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P35968	6.567030709125595	8.113509274827518	1.546478565701923	Different Family
[P00519, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P35968	5.42021640338319	5.3872161432802645	0.03300026010292534	Different Family
[P00519, P35968]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P35968	5.164943898279883	4.95663772197887	0.20830617630101322	Different Family
[P00519, P35968]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00519	P35968	7.292429823902063	6.071604147743286	1.2208256761587775	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.575118363368933	5.958607314841775	0.3834889514728417	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P35968	4.938547520912807	4.795880017344075	0.14266750356873192	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.595166283380062	5.686132779630847	0.09096649625078435	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.059981844992337	4.768020973168496	0.2919608718238411	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P35968	5.665546248849069	5.806875401645538	0.14132915279646863	Different Family
[P00519, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P35968	5.278189384787454	5.213248577854439	0.06494080693301463	Different Family
[P00519, P04629]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P00519	P04629	5.218244625347531	5.346787486224656	0.12854286087712463	Different Family
[P00519, P04629]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	P04629	7.6020599913279625	7.455931955649724	0.14612803567823818	Different Family
[P00519, P04629]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P04629	8.34518491628705	7.070581074285707	1.2746038420013424	Different Family
[P00519, P04629]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P04629	7.851037714389285	7.522878745280337	0.32815896910894793	Different Family
[P00519, P04629]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P04629	5.892790030352131	5.080921907623926	0.811868122728205	Different Family
[P00519, P04629]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.872895201635193	5.841637507904751	0.03125769373044207	Different Family
[P00519, P04629]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P04629	5.270025714300444	5.174573882232177	0.09545183206826735	Different Family
[P00519, P04629]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	P04629	5.863279432843593	5.838631997765025	0.02464743507856859	Different Family
[P00519, P04629]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.6439741428068775	5.429457060118103	0.21451708268877479	Different Family
[P00519, P04629]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P04629	5.603800652904264	5.605548319173784	0.001747666269520387	Different Family
[P00519, P04629]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P04629	5.112945621949043	5.028724151261895	0.08422147068714825	Different Family
[P00519, P04629]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P04629	5.903089986991944	5.56431486205837	0.33877512493357376	Different Family
[P00519, P04629]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P04629	5.107905397309519	7.337242168318426	2.2293367710089065	Different Family
[P00519, P04629]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	P04629	4.919734372660155	5.009217308196862	0.08948293553670705	Different Family
[P00519, P04629]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	P04629	4.786216700664696	5.112945621949043	0.3267289212843476	Different Family
[P00519, P04629]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P04629	5.2839966563652006	8.306939584650792	3.022942928285591	Different Family
[P00519, P04629]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P04629	5.619788758288394	9.0	3.3802112417116064	Different Family
[P00519, P04629]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P04629	5.42021640338319	6.070581074285707	0.6503646709025173	Different Family
[P00519, P04629]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P04629	5.164943898279883	5.108462542327436	0.05648135595244774	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.575118363368933	5.235823867609669	0.3392944957592636	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P00519	P04629	4.938547520912807	4.862013267276469	0.07653425363633826	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.595166283380062	5.465973893943865	0.1291923894361977	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.059981844992337	5.0343280287798935	0.02565381621244356	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P04629	5.665546248849069	5.490797477668897	0.1747487711801723	Different Family
[P00519, P04629]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P04629	5.278189384787454	5.274088367704952	0.00410101708250199	Different Family
[O60674, P00519]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	O60674	6.692308678930553	9.060955120789046	2.368646441858493	Different Family
[O60674, P00519]	CCc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)C(F)(F)F	P00519	O60674	6.494850021680094	8.698970004336019	2.204119982655925	Different Family
[O60674, P00519]	CCc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	P00519	O60674	6.6777807052660805	8.522878745280337	1.845098040014257	Different Family
[O60674, P00519]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P00519	O60674	6.686132779630847	8.221848749616356	1.5357159699855094	Different Family
[O60674, P00519]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	O60674	5.903089986991944	5.940108206919151	0.037018219927206886	Different Family
[O60674, P00519]	Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)C(F)(F)F	P00519	O60674	6.119186407719209	8.0	1.8808135922807914	Different Family
[O60674, P00519]	Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	P00519	O60674	6.366531544420414	7.698970004336019	1.332438459915605	Different Family
[O60674, P00519]	Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)NC)Cl	P00519	O60674	6.318758762624412	7.455931955649724	1.137173193025312	Different Family
[O60674, P00519]	Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)NC)C(=O)N)Cl	P00519	O60674	5.995678626217358	7.366531544420414	1.370852918203056	Different Family
[O60674, P00519]	Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl	P00519	O60674	6.6020599913279625	7.657577319177793	1.0555173278498309	Different Family
[O60674, P00519]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	O60674	5.107905397309519	6.638272163982407	1.5303667666728877	Different Family
[O60674, P00519]	c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)C(F)(F)F	P00519	O60674	5.512861624522814	7.6777807052660805	2.1649190807432666	Different Family
[O60674, P00519]	c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	P00519	O60674	6.318758762624412	8.096910013008056	1.7781512503836439	Different Family
[O60674, P00519]	c1cc(c(cc1Cl)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	P00519	O60674	6.154901959985743	7.920818753952375	1.7659167939666318	Different Family
[O60674, P00519]	c1cc(c(cc1OC(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	P00519	O60674	5.958607314841775	7.619788758288394	1.661181443446619	Different Family
[O60674, P00519]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	O60674	5.2839966563652006	5.251811972993799	0.032184683371401235	Different Family
[O60674, P00519]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	O60674	5.619788758288394	5.568636235841013	0.051152522447380555	Different Family
[O60674, P00519]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	O60674	5.1938200260161125	5.958607314841775	0.7647872888256622	Different Family
[O60674, P00519]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	O60674	5.42021640338319	5.327902142064283	0.09231426131890696	Different Family
[P00519, P11362]	CC(C)(C)NC(=O)Nc1ccc2c(c1)c(n[nH]2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P00519	P11362	7.522878745280337	9.0	1.4771212547196626	Different Family
[P00519, P11362]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P00519	P11362	5.30189945437661	5.458420756053419	0.15652130167680944	Different Family
[P00519, P11362]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	P11362	7.6020599913279625	7.301029995663981	0.30102999566398125	Different Family
[P00519, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P11362	6.692308678930553	8.200659450546418	1.5083507716158646	Different Family
[P00519, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P11362	5.118615343229427	4.522878745280337	0.5957365979490898	Different Family
[P00519, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P11362	5.498940737782249	4.90274269030658	0.596198047475669	Different Family
[P00519, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P11362	4.675511766692344	4.522878745280337	0.1526330214120062	Different Family
[P00519, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P00519, P11362]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P00519	P11362	7.851037714389285	7.327902142064283	0.5231355723250024	Different Family
[P00519, P11362]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P00519	P11362	6.686132779630847	6.795880017344075	0.10974723771322825	Different Family
[P00519, P11362]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P00519	P11362	7.273109859258178	7.585026652029182	0.3119167927710036	Different Family
[P00519, P11362]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P00519	P11362	6.346787486224656	7.958607314841775	1.6118198286171186	Different Family
[P00519, P11362]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P00519	P11362	7.657577319177793	4.33913452199613	3.318442797181663	Different Family
[P00519, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P11362	6.0915149811213505	5.767003889607846	0.32451109151350455	Different Family
[P00519, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00519	P11362	7.6777807052660805	6.0301183562535	1.6476623490125801	Different Family
[P00519, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00519	P11362	8.55284196865778	7.211124884224583	1.3417170844331974	Different Family
[P00519, P11362]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	P11362	5.107905397309519	7.187086643357144	2.079181246047625	Different Family
[P00519, P11362]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P11362	6.567030709125595	7.920818753952375	1.3537880448267803	Different Family
[P00519, P11362]	c1ccc(cc1)COc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P11362	7.221848749616356	8.096910013008056	0.8750612633917001	Different Family
[P00519, P11362]	c1ccc(cc1)COc2ccc3c(c2)n[nH]c3c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P11362	6.698970004336019	7.638272163982407	0.9393021596463882	Different Family
[P00519, P11362]	c1ccc(cc1)Oc2ccc3c(c2)c([nH]n3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P00519	P11362	7.522878745280337	7.823908740944319	0.30102999566398125	Different Family
[P00519, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P00519	P11362	7.251811972993799	7.200659450546419	0.051152522447380555	Different Family
[P00519, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00519	P11362	7.619788758288394	6.749579997691106	0.8702087605972872	Different Family
[P00519, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00519	P11362	7.292429823902063	7.200659450546419	0.09177037335564453	Different Family
[P00519, P11362]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P00519	P11362	6.221848749616356	7.318758762624412	1.0969100130080562	Different Family
[P00519, P08581]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P00519	P08581	5.30189945437661	7.330971062290121	2.0290716079135116	Different Family
[P00519, P08581]	CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(c(=O)[nH]c2)C(=O)Nc3ccc(cc3)N4CCN(CC4)C	P00519	P08581	6.55129368009492	7.920818753952375	1.3695250738574547	Different Family
[P00519, P08581]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P00519	P08581	5.792365632611038	5.349485002168009	0.44288063044302906	Different Family
[P00519, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P08581	8.34518491628705	6.752026733638194	1.593158182648856	Different Family
[P00519, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P08581	5.892790030352131	4.6020599913279625	1.2907300390241687	Different Family
[P00519, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	P08581	4.031517051446065	4.455931955649724	0.4244149042036591	Different Family
[P00519, P08581]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	P08581	6.040958607678906	4.986320302708807	1.0546383049700987	Different Family
[P00519, P08581]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P08581	5.903089986991944	5.6860800803851195	0.2170099066068243	Different Family
[P00519, P08581]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P08581	5.154901959985743	3.7375489102695707	1.4173530497161724	Different Family
[P00519, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	P08581	4.919734372660155	5.294992040666664	0.37525766800650917	Different Family
[P00519, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	P08581	4.786216700664696	5.221848749616356	0.4356320489516605	Different Family
[P00519, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P08581	5.2839966563652006	5.2441251443275085	0.039871512037692014	Different Family
[P00519, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P08581	5.619788758288394	5.366531544420414	0.25325721386797984	Different Family
[P00519, P08581]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P08581	6.567030709125595	6.962573502059376	0.3955427929337816	Different Family
[P00519, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P08581	5.42021640338319	5.292429823902063	0.1277865794811266	Different Family
[P00519, P07948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	P07948	6.692308678930553	8.781918676479622	2.0896099975490685	Different Family
[P00519, P07948]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P07948	5.892790030352131	5.309803919971486	0.5829861103806451	Different Family
[P00519, P07948]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00519	P07948	5.903089986991944	5.856430705489719	0.04665928150222509	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P00519	P07948	6.1250545639144685	4.8195873671616765	1.305467196752792	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P00519	P07948	6.8671002300555175	5.451733454829255	1.4153667752262624	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P00519	P07948	5.529736553034922	4.342752870116284	1.1869836829186378	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)Br)CN5CCN(CC5)C	P00519	P07948	7.920818753952375	8.508638306165727	0.587819552213352	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P00519	P07948	8.292429823902063	8.318758762624412	0.026328938722349093	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)F)CN5CCN(CC5)C	P00519	P07948	6.920818753952375	7.455931955649724	0.5351132016973494	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCC(C5)N(C)C	P00519	P07948	7.752922702990778	8.21356419889976	0.4606414959089822	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P00519	P07948	8.05551732784983	8.070581074285707	0.015063746435876268	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(c4ccc(c(c4)C(F)(F)F)CN5CC(C5)N(C)C)O	P00519	P07948	6.853871964321762	7.5376020021010435	0.6837300377792817	Different Family
[P00519, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(c4ccc(c(c4)C(F)(F)F)CN5CCC(C5)CN(C)C)O	P00519	P07948	7.494850021680094	8.119186407719209	0.6243363860391149	Different Family
[P00519, P07948]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P07948	3.899629454882437	3.749579997691106	0.15004945719133111	Different Family
[P00519, P07948]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P07948	5.154901959985743	4.853871964321762	0.30102999566398125	Different Family
[P00519, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	P07948	5.2839966563652006	5.309803919971486	0.025807263606285602	Different Family
[P00519, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	P07948	5.619788758288394	5.468521082957745	0.151267675330649	Different Family
[P00519, P07948]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P07948	6.567030709125595	8.397940008672037	1.8309092995464429	Different Family
[P00519, P07948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	P07948	5.42021640338319	5.1249387366083	0.29527766677489	Different Family
[P00519, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P00519	P28482	5.218244625347531	6.367542707815276	1.1492980824677446	Different Group
[P00519, P28482]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(cc3)OC	P00519	P28482	4.681102285372513	5.94692155651658	1.2658192711440668	Different Group
[P00519, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P28482	5.118615343229427	4.522878745280337	0.5957365979490898	Different Group
[P00519, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P28482	5.498940737782249	4.522878745280337	0.9760619925019114	Different Group
[P00519, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P28482	4.675511766692344	4.522878745280337	0.1526330214120062	Different Group
[P00519, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[P00519, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	P28482	8.34518491628705	5.201349354554731	3.1438355617323186	Different Group
[P00519, P28482]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P00519	P28482	4.599462010608054	5.279840696594043	0.680378685985989	Different Group
[P00519, P28482]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.872895201635193	5.841637507904751	0.03125769373044207	Different Group
[P00519, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	P28482	5.863279432843593	5.421360790031928	0.4419186428116655	Different Group
[P00519, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.6439741428068775	5.504455662453552	0.1395184803533258	Different Group
[P00519, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P28482	5.603800652904264	5.370590400897281	0.23321025200698298	Different Group
[P00519, P28482]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	P28482	6.040958607678906	5.671620396561262	0.3693382111176442	Different Group
[P00519, P28482]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P28482	5.112945621949043	4.779107750780481	0.3338378711685621	Different Group
[P00519, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P28482	6.0915149811213505	4.522878745280337	1.568636235841013	Different Group
[P00519, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P28482	3.899629454882437	4.327902142064283	0.42827268718184586	Different Group
[P00519, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P28482	5.154901959985743	4.42021640338319	0.7346855566025532	Different Group
[P00519, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	P28482	4.919734372660155	4.848017604542526	0.07171676811762939	Different Group
[P00519, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	P28482	4.786216700664696	4.7972393126068	0.011022611942104632	Different Group
[P00519, P28482]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	P28482	5.164943898279883	4.913284336055118	0.2516595622247655	Different Group
[P00519, P28482]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.575118363368933	5.847711655616943	0.2725932922480103	Different Group
[P00519, P28482]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.595166283380062	5.6307841425898575	0.0356178592097951	Different Group
[P00519, P28482]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.059981844992337	4.633763876281707	0.4262179687106302	Different Group
[P00519, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	P28482	5.665546248849069	5.694648630553377	0.029102381704307234	Different Group
[P00519, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	P28482	5.278189384787454	5.074172425375258	0.2040169594121961	Different Group
[P00519, Q9UM73]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	Q9UM73	7.6020599913279625	7.301029995663981	0.30102999566398125	Different Group
[P00519, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	Q9UM73	6.692308678930553	7.948515197953478	1.2562065190229248	Different Group
[P00519, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P00519	Q9UM73	6.686132779630847	6.844663962534939	0.15853118290409185	Different Group
[P00519, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	Q9UM73	5.2839966563652006	5.465907069126919	0.18191041276171838	Different Group
[P00519, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	Q9UM73	5.619788758288394	5.789198036565084	0.1694092782766905	Different Group
[P00519, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	Q9UM73	5.1938200260161125	6.119186407719209	0.9253663817030962	Different Group
[P00519, Q9UM73]	c1cc(ccc1C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N)Cl	P00519	Q9UM73	4.221848749616356	5.013228265733755	0.7913795161173987	Different Group
[P00519, Q9UM73]	c1cc(sc1)c2c3c(nc(c2C#N)SCc4ccc(cc4)F)CCCC3	P00519	Q9UM73	4.130768280269024	5.3979400086720375	1.2671717284030137	Different Group
[P00519, Q9UM73]	c1ccc(cc1)C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N	P00519	Q9UM73	6.537602002101044	5.769551078621726	0.7680509234793185	Different Group
[P00519, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P00519	Q9UM73	5.42021640338319	5.41369853439507	0.0065178689881202345	Different Group
[P00519, Q9UM73]	c1ccc(cc1)CSc2c(c(c3c(n2)CCCC3)c4cccs4)C#N	P00519	Q9UM73	4.142667503568732	5.6777807052660805	1.5351132016973486	Different Group
[P00519, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P31749	5.118615343229427	4.522878745280337	0.5957365979490898	Different Group
[P00519, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	P31749	5.498940737782249	4.730954290342377	0.7679864474398714	Different Group
[P00519, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	P31749	4.675511766692344	4.522878745280337	0.1526330214120062	Different Group
[P00519, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P00519, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	P31749	5.892790030352131	4.0	1.8927900303521312	Different Group
[P00519, P31749]	COc1ccc(cc1OC)S(=O)(=O)Nc2cc(c(c3c2cccc3)O)Sc4c5c(nc[nH]5)ncn4	P00519	P31749	5.815308569182402	5.761953896871205	0.053354672311196616	Different Group
[P00519, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	P31749	6.0915149811213505	5.508638306165727	0.5828766749556236	Different Group
[P00519, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	P31749	3.899629454882437	4.853871964321762	0.9542425094393248	Different Group
[P00519, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	P31749	5.154901959985743	5.795880017344075	0.6409780573583319	Different Group
[P00519, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	P31749	5.1938200260161125	5.154901959985743	0.0389180660303694	Different Group
[P00519, P31749]	c1cc(ccc1[N+](=O)[O-])S(=O)(=O)Nc2ccc(c(c2)Sc3[nH]ncn3)O	P00519	P31749	5.823908740944319	5.8996294548824375	0.07572071393811886	Different Group
[P00519, P31749]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P00519	P31749	6.567030709125595	7.958607314841775	1.39157660571618	Different Group
[O14965, P00519]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P00519	O14965	7.6020599913279625	7.236572006437063	0.3654879848908994	Different Group
[O14965, P00519]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00519	O14965	6.692308678930553	8.160579629225387	1.4682709502948335	Different Group
[O14965, P00519]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	O14965	5.118615343229427	4.522878745280337	0.5957365979490898	Different Group
[O14965, P00519]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	O14965	5.498940737782249	4.522878745280337	0.9760619925019114	Different Group
[O14965, P00519]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	O14965	4.675511766692344	4.522878745280337	0.1526330214120062	Different Group
[O14965, P00519]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P00519]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P00519	O14965	8.34518491628705	6.966576244513051	1.378608671773999	Different Group
[O14965, P00519]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00519	O14965	5.892790030352131	4.6020599913279625	1.2907300390241687	Different Group
[O14965, P00519]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00519	O14965	4.031517051446065	5.135985522789741	1.1044684713436759	Different Group
[O14965, P00519]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	O14965	6.0915149811213505	5.809668301829708	0.2818466792916423	Different Group
[O14965, P00519]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P00519	O14965	5.107905397309519	6.537602002101044	1.4296966047915252	Different Group
[O14965, P00519]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P00519	O14965	3.899629454882437	5.107905397309519	1.2082759424270821	Different Group
[O14965, P00519]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P00519	O14965	5.154901959985743	5.008773924307505	0.14612803567823818	Different Group
[O14965, P00519]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00519	O14965	5.1938200260161125	5.508638306165727	0.31481828014961444	Different Group
[P00519, Q06418]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	Q06418	5.118615343229427	8.698970004336019	3.5803546611065915	Different Family
[P00519, Q06418]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00519	Q06418	5.498940737782249	6.568636235841013	1.0696954980587643	Different Family
[P00519, Q06418]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00519	Q06418	4.675511766692344	6.2839966563652006	1.608484889672857	Different Family
[P00519, Q06418]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00519	Q06418	4.522878745280337	8.0	3.4771212547196626	Different Family
[P00519, Q06418]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P00519	Q06418	6.040958607678906	6.568636235841013	0.527677628162107	Different Family
[P00519, Q06418]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00519	Q06418	6.0915149811213505	9.154901959985743	3.0633869788643926	Different Family
[P00519, Q06418]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00519	Q06418	4.919734372660155	6.4467345730888095	1.5270002004286543	Different Family
[P00519, Q06418]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00519	Q06418	4.786216700664696	7.154901959985743	2.3686852593210475	Different Family
[P00519, Q06418]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P00519	Q06418	5.2839966563652006	5.301029995663981	0.017033339298780703	Different Family
[P00519, Q06418]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P00519	Q06418	5.619788758288394	5.2839966563652006	0.3357921019231931	Different Family
[P00519, Q86Z02]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P00519	Q86Z02	4.599462010608054	4.689731633367552	0.09026962275949835	Different Group
[P00519, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.872895201635193	5.139661993429006	0.7332332082061868	Different Group
[P00519, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P00519	Q86Z02	5.863279432843593	4.882728704344236	0.9805507284993578	Different Group
[P00519, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.6439741428068775	5.493494967595128	0.1504791752117498	Different Group
[P00519, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	Q86Z02	5.603800652904264	5.39577394691553	0.20802670598873352	Different Group
[P00519, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.112945621949043	4.897909474488164	0.2150361474608795	Different Group
[P00519, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.164943898279883	4.926281649653878	0.2386622486260057	Different Group
[P00519, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.575118363368933	6.035269078946371	0.4601507155774378	Different Group
[P00519, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.595166283380062	5.5638373529592435	0.03132893042081886	Different Group
[P00519, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.059981844992337	4.515557792357593	0.5444240526347439	Different Group
[P00519, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P00519	Q86Z02	5.665546248849069	5.586700235918748	0.07884601293032123	Different Group
[P00519, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P00519	Q86Z02	5.278189384787454	5.088842391260023	0.18934699352743056	Different Group
[P09619, P17948]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P17948	P09619	3.9867413347164833	3.479516467259208	0.5072248674572752	Different Family
[P09619, P17948]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C#C	P17948	P09619	3.806041021980813	3.3664305574459084	0.4396104645349048	Different Family
[P09619, P17948]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P09619	5.54882784248746	5.702896349850744	0.15406850736328348	Different Family
[P09619, P17948]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P09619	7.795880017344075	6.391473966422806	1.4044060509212688	Different Family
[P09619, P17948]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P09619	3.8041003475907664	3.7572101905213233	0.046890157069443106	Different Family
[P09619, P17948]	CC(C)c1ccccc1Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P09619	3.787546038959724	4.366531544420414	0.5789855054606896	Different Family
[P09619, P17948]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P09619	6.798602875679548	7.192464971931146	0.3938620962515982	Different Family
[P09619, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P09619	8.267606240177031	8.794190147018384	0.5265839068413527	Different Family
[P09619, P17948]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P09619	7.920818753952375	7.3872161432802645	0.5336026106721103	Different Family
[P09619, P17948]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P17948	P09619	4.558169282423191	5.036212172654444	0.47804289023125346	Different Family
[P09619, P17948]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P09619	4.481486060122113	4.52726570743409	0.04577964731197692	Different Family
[P09619, P17948]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P09619	8.886056647693163	7.995678626217358	0.8903780214758052	Different Family
[P09619, P17948]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P17948	P09619	8.0	8.698970004336019	0.6989700043360187	Different Family
[P09619, P17948]	COc1cc(cc(c1OC)OC)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P09619	3.8054856581175325	5.7447274948966935	1.939241836779161	Different Family
[P09619, P17948]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P09619	7.337242168318426	8.301029995663981	0.9637878273455556	Different Family
[P09619, P17948]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N)OC	P17948	P09619	4.818156412055227	4.3535962737769305	0.4645601382782969	Different Family
[P09619, P17948]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P17948	P09619	3.731422028117157	3.8359447081065485	0.10452267998939169	Different Family
[P09619, P17948]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4cccc(c4)Br)N)OC	P17948	P09619	4.422713462717951	5.050609993355088	0.6278965306371367	Different Family
[P09619, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P17948	P09619	8.309803919971486	6.64994590642097	1.659858013550516	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P09619	8.443697499232712	7.853871964321762	0.5898255349109505	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P17948	P09619	7.161150909262744	7.6777807052660805	0.5166297960033361	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P17948	P09619	7.251811972993799	8.080921907623926	0.8291099346301269	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P17948	P09619	8.193820026016112	8.229147988357855	0.03532796234174285	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P09619	8.130768280269024	8.259637310505756	0.12886903023673213	Different Family
[P09619, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P09619	7.481486060122113	7.721246399047171	0.23976033892505821	Different Family
[P09619, P17948]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N)F	P17948	P09619	7.958607314841775	7.327902142064283	0.6307051727774917	Different Family
[P09619, P17948]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P09619	8.154901959985743	7.920818753952375	0.23408320603336819	Different Family
[P09619, P17948]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P09619	3.7956086680807	4.394694953858891	0.5990862857781907	Different Family
[P09619, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P09619	8.2839966563652	8.585026652029182	0.30102999566398125	Different Family
[P09619, P17948]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P09619	8.494850021680094	7.886056647693163	0.6087933739869307	Different Family
[P09619, P17948]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P09619	8.0	7.075720713938118	0.924279286061882	Different Family
[P09619, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P09619	8.522878745280337	8.0	0.5228787452803374	Different Family
[P09619, P17948]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P09619	3.888401475119606	3.7969671129852895	0.09143436213431633	Different Family
[P09619, P17948]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCC(=O)NO	P17948	P09619	6.688246138944246	6.285670240254767	0.40257589868947896	Different Family
[P09619, P17948]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P17948	P09619	6.4383024673460065	6.732828271596986	0.29452580425097974	Different Family
[P09619, P17948]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P17948	P09619	6.937418015771837	6.195860567664649	0.741557448107188	Different Family
[P09619, P17948]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P17948	P09619	4.149353764816934	4.609064892896621	0.45971112807968684	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P09619	5.145693958198919	5.549750891680639	0.4040569334817201	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P17948	P09619	5.769551078621726	5.638272163982407	0.13127891463931896	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P17948	P09619	5.966576244513051	6.2441251443275085	0.27754889981445796	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)Nc2c3cc([nH]c3ncn2)Cc4ccc(cc4Cl)Cl	P17948	P09619	3.82131076022441	3.6567884098202526	0.16452235040415752	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(c(c4)Cl)Cl	P17948	P09619	3.925915310971756	3.6390281162740643	0.28688719469769186	Different Family
[P09619, P17948]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P09619	3.859806321421369	4.465973893943865	0.6061675725224958	Different Family
[P09619, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P09619	5.275724130399211	5.337242168318426	0.06151803791921484	Different Family
[P09619, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P09619	5.585026652029182	5.657577319177793	0.07255066714861158	Different Family
[P09619, P17948]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P09619	3.7880789156914907	3.7373116556983037	0.050767259993186986	Different Family
[P09619, P17948]	c1cc(ccc1c2c(c(sn2)NC(=O)NCCCN3CCOCC3)C(=O)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P09619	7.886056647693163	7.619788758288394	0.2662678894047694	Different Family
[P09619, P17948]	c1ccc(c(c1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N)Cl	P17948	P09619	3.898596649444669	5.823908740944319	1.9253120914996495	Different Family
[P09619, P17948]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P17948	P09619	7.7447274948966935	6.318758762624412	1.4259687322722812	Different Family
[P09619, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P09619	5.522878745280337	5.698970004336019	0.17609125905568135	Different Family
[P09619, P17948]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P09619	8.045757490560675	7.6777807052660805	0.3679767852945943	Different Family
[P09619, P17948]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P17948	P09619	7.454692883534176	8.337242168318426	0.8825492847842495	Different Family
[P09619, P17948]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P09619	3.927750102386485	5.552841968657781	1.6250918662712954	Different Family
[P09619, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P17948	P09619	7.920818753952375	8.301029995663981	0.38021124171160636	Different Family
[P09619, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P17948	P09619	7.552841968657781	8.0	0.44715803134221943	Different Family
[P09619, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P17948	P09619	6.790484985457369	7.698970004336019	0.9084850188786495	Different Family
[P09619, P17948]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P09619	5.2403321553103694	6.070581074285707	0.8302489189753377	Different Family
[P09619, P17948]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P09619	6.187086643357144	6.494850021680094	0.3077633783229494	Different Family
[P09619, P17948]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P17948	P09619	6.637044183852476	6.221848749616356	0.4151954342361197	Different Family
[P09619, P17948]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P17948	P09619	4.507239610973163	5.049635145623877	0.5423955346507139	Different Family
[P09619, P17948]	c1ccc2c(c1)cccc2Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P17948	P09619	3.8239087409443187	3.888401475119606	0.06449273417528723	Different Family
[P09619, P17948]	c1ccc2cc(ccc2c1)Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P17948	P09619	4.294136287716081	3.6728454875905685	0.6212908001255126	Different Family
[P09619, P17948]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P17948	P09619	5.552841968657781	5.301029995663981	0.2518119729937993	Different Family
[P09619, P17948]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P17948	P09619	6.3979400086720375	6.698970004336019	0.30102999566398125	Different Family
[P10721, P17948]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P10721	5.54882784248746	6.531652669587842	0.9828248271003819	Different Family
[P10721, P17948]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P17948	P10721	8.367542707815275	7.27531461176264	1.0922280960526347	Different Family
[P10721, P17948]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P10721	7.795880017344075	7.2441251443275085	0.5517548730165664	Different Family
[P10721, P17948]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P10721	7.920818753952375	8.017728766960431	0.09691001300805624	Different Family
[P10721, P17948]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P17948	P10721	4.558169282423191	5.869964306007462	1.3117950235842715	Different Family
[P10721, P17948]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P10721	4.481486060122113	5.636636395486714	1.1551503353646009	Different Family
[P10721, P17948]	CCCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P17948	P10721	7.229147988357856	7.1249387366083	0.10420925174955631	Different Family
[P10721, P17948]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P10721	8.886056647693163	8.619788758288394	0.2662678894047694	Different Family
[P10721, P17948]	CCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P17948	P10721	6.882728704344236	5.6595558851598815	1.223172819184354	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	P10721	8.698970004336019	7.585026652029182	1.113943352306837	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cc(cc(c6)Cl)Cl	P17948	P10721	5.643018599006869	7.42021640338319	1.7771978043763212	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6ccc(cc6)C(F)(F)F	P17948	P10721	5.376647318462008	7.886056647693163	2.509409329231155	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cccc(c6)C(F)(F)F	P17948	P10721	6.06398920428479	7.769551078621726	1.7055618743369356	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3n[nH]c4c5ccc(s5)CN(C)C(=O)Nc6cc(cc(c6)F)C(F)(F)F	P17948	P10721	7.481486060122113	7.6020599913279625	0.12057393120584958	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3n[nH]c4c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)OC(F)(F)F	P17948	P10721	7.721246399047171	7.251811972993799	0.4694344260533718	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(c(c6)Cl)Cl)C3	P17948	P10721	7.443697499232713	7.552841968657781	0.10914446942506739	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Br)C3	P17948	P10721	7.42021640338319	7.769551078621726	0.349334675238536	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Cl)C3	P17948	P10721	7.1938200260161125	7.443697499232713	0.2498774732166007	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)F)C3	P17948	P10721	7.080921907623926	7.229147988357856	0.14822608073392995	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)OC(F)(F)F)C3	P17948	P10721	7.6020599913279625	7.721246399047171	0.11918640771920863	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)C(F)(F)F)C3	P17948	P10721	7.853871964321762	7.7447274948966935	0.10914446942506828	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)Cl)C3	P17948	P10721	7.698970004336019	7.42021640338319	0.27875360095282886	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccc(s5)CNC(=O)Nc6ccccc6)C3	P17948	P10721	5.421934116163908	6.995678626217358	1.5737445100534497	Different Family
[P10721, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P17948	P10721	6.013228265733755	6.838631997765025	0.8254037320312699	Different Family
[P10721, P17948]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P10721	7.337242168318426	7.795880017344075	0.4586378490256493	Different Family
[P10721, P17948]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P17948	P10721	8.167491087293763	8.285285367809106	0.11779428051534246	Different Family
[P10721, P17948]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P17948	P10721	8.838631997765026	7.90031935889075	0.938312638874276	Different Family
[P10721, P17948]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P10721	6.769551078621726	6.739928612014925	0.029622466606801012	Different Family
[P10721, P17948]	Cc1cc(cc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C	P17948	P10721	5.77780395369828	7.568636235841013	1.7908322821427332	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P10721	8.443697499232712	6.823908740944319	1.6197887582883936	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P17948	P10721	7.161150909262744	6.619788758288394	0.5413621509743507	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P17948	P10721	7.251811972993799	6.769551078621726	0.4822608943720734	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P17948	P10721	8.193820026016112	7.6777807052660805	0.516039320750032	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P10721	8.130768280269024	7.638272163982407	0.4924961162866168	Different Family
[P10721, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P10721	7.481486060122113	6.886056647693163	0.5954294124289499	Different Family
[P10721, P17948]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P17948	P10721	8.0	8.154901959985743	0.15490195998574308	Different Family
[P10721, P17948]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P10721	6.212539525481585	7.568636235841013	1.3560967103594281	Different Family
[P10721, P17948]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	4.939944635175155	7.619788758288394	2.679844123113239	Different Family
[P10721, P17948]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P10721	8.0	7.130768280269024	0.8692317197309762	Different Family
[P10721, P17948]	Cc1cccc(c1)N(C)C(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	4.55448920343327	4.571136591700744	0.016647388267474028	Different Family
[P10721, P17948]	Cc1cccc(c1)N(C)C(=O)NCc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	4.836212690037997	6.856985199745905	2.020772509707908	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P10721	7.356547323513813	7.017728766960432	0.338818556553381	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	5.326242063450423	4.831649859814056	0.49459220363636724	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(CCC(C)C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	5.44189169836945	5.314885530953461	0.12700616741598925	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C7CC7	P17948	P10721	7.42021640338319	6.866461091629782	0.5537553117534078	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)C(C)C	P17948	P10721	5.549135307620234	5.011173592954724	0.53796171466551	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)CC(C)C	P17948	P10721	5.798602875679548	4.763487930337172	1.035114945342376	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)OC	P17948	P10721	5.869344650977969	6.6252516539898965	0.7559070030119273	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P10721	6.22767829327708	7.161150909262744	0.9334726159856643	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	5.538051504796238	7.0655015487564325	1.5274500439601946	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P17948	P10721	7.102372908709558	7.958607314841775	0.8562344061322165	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P17948	P10721	8.721246399047171	8.368556230986828	0.35269016806034337	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P17948	P10721	8.6903698325741	7.566870482419515	1.123499350154586	Different Family
[P10721, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P17948	P10721	8.698970004336019	8.221848749616356	0.4771212547196626	Different Family
[P10721, P17948]	Cc1ccccc1NC(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	5.305131672017544	5.243363891754152	0.06176778026339225	Different Family
[P10721, P17948]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P10721	5.686976889676762	6.17134010346468	0.48436321378791813	Different Family
[P10721, P17948]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P10721	4.602129484004629	5.857923538926715	1.2557940549220863	Different Family
[P10721, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P10721	5.145693958198919	8.221848749616356	3.076154791417437	Different Family
[P10721, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P17948	P10721	5.769551078621726	7.769551078621726	2.0	Different Family
[P10721, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P17948	P10721	5.966576244513051	7.958607314841775	1.992031070328724	Different Family
[P10721, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P10721	5.275724130399211	5.154901959985743	0.12082217041346777	Different Family
[P10721, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P10721	5.585026652029182	6.102372908709558	0.5173462566803764	Different Family
[P10721, P17948]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P17948	P10721	8.790435346129012	7.636806309385258	1.1536290367437543	Different Family
[P10721, P17948]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P17948	P10721	7.4089353929735005	7.7447274948966935	0.3357921019231931	Different Family
[P10721, P17948]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P10721	7.1249387366083	7.552841968657781	0.42790323204948066	Different Family
[P10721, P17948]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P17948	P10721	6.221125527997261	6.987162775294828	0.7660372472975672	Different Family
[P10721, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P10721	5.522878745280337	5.657577319177793	0.134698573897456	Different Family
[P10721, P17948]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P10721	5.2403321553103694	9.0	3.7596678446896306	Different Family
[P10721, P17948]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P10721	6.187086643357144	7.853871964321762	1.6667853209646175	Different Family
[P10721, P17948]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P17948	P10721	6.637044183852476	6.154901959985743	0.4821422238667328	Different Family
[P10721, P17948]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P17948	P10721	6.3979400086720375	6.431798275933005	0.03385826726096752	Different Family
[P17948, P35916]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	7.214670164989233	8.221848749616356	1.0071785846271233	Same Family
[P17948, P35916]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	7.552841968657781	8.522878745280337	0.9700367766225568	Same Family
[P17948, P35916]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	7.455931955649724	8.301029995663981	0.8450980400142569	Same Family
[P17948, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P35916	5.54882784248746	5.925183559354825	0.3763557168673648	Same Family
[P17948, P35916]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P35916	7.795880017344075	8.397940008672037	0.6020599913279625	Same Family
[P17948, P35916]	CC1=[N+](C(=O)C(C=C1)C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4c3)NC(=O)C5CC5)c6ccccc6	P17948	P35916	8.113509274827518	8.259637310505756	0.14612803567823818	Same Family
[P17948, P35916]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P35916	7.920818753952375	9.301029995663981	1.3802112417116064	Same Family
[P17948, P35916]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P17948	P35916	4.558169282423191	5.824875990832918	1.2667067084097274	Same Family
[P17948, P35916]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P35916	4.481486060122113	6.031743128760553	1.55025706863844	Same Family
[P17948, P35916]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P35916	8.886056647693163	8.886056647693163	0.0	Same Family
[P17948, P35916]	CCSCc1ccc2c(c1)c3c4c(c5c6cc(ccc6n7c5c3n2C8CC(C7(O8)C)(C(=O)OC)O)CSCC)CNC4=O	P17948	P35916	6.679853713888946	7.4089353929735005	0.7290816790845547	Same Family
[P17948, P35916]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	7.086186147616283	8.0	0.9138138523837167	Same Family
[P17948, P35916]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	6.488116639021126	7.229147988357856	0.7410313493367306	Same Family
[P17948, P35916]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P17948	P35916	7.161150909262744	8.0	0.8388490907372557	Same Family
[P17948, P35916]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35916	6.761953896871205	7.136677139879544	0.37472324300833915	Same Family
[P17948, P35916]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P17948	P35916	7.259637310505756	8.154901959985743	0.8952646494799872	Same Family
[P17948, P35916]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P35916	7.225743871829482	8.093543321678572	0.8677994498490902	Same Family
[P17948, P35916]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P35916	6.555955204081924	7.619788758288394	1.0638335542064699	Same Family
[P17948, P35916]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	P35916	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[P17948, P35916]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P17948	P35916	6.013228265733755	5.803271277376713	0.20995698835704157	Same Family
[P17948, P35916]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P17948	P35916	7.698970004336019	7.522878745280337	0.17609125905568135	Same Family
[P17948, P35916]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P17948	P35916	6.835647144215563	7.494850021680094	0.6592028774645309	Same Family
[P17948, P35916]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35916	7.337242168318426	8.045757490560675	0.7085153222422491	Same Family
[P17948, P35916]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P17948	P35916	8.167491087293763	8.55284196865778	0.3853508813640172	Same Family
[P17948, P35916]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35916	6.769551078621726	7.060480747381382	0.29092966875965587	Same Family
[P17948, P35916]	Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC	P17948	P35916	8.077103822059694	8.424614107158025	0.3475102850983305	Same Family
[P17948, P35916]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P17948	P35916	8.0	7.167491087293763	0.8325089127062366	Same Family
[P17948, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P35916	8.2839966563652	8.585026652029182	0.30102999566398125	Same Family
[P17948, P35916]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P35916	8.494850021680094	8.958607314841775	0.4637572931616809	Same Family
[P17948, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P35916	8.0	7.327902142064283	0.6720978579357171	Same Family
[P17948, P35916]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P17948	P35916	7.102372908709558	8.397940008672037	1.2955670999624793	Same Family
[P17948, P35916]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P17948	P35916	8.698970004336019	7.886056647693163	0.8129133566428557	Same Family
[P17948, P35916]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	P35916	8.0	7.107905397309519	0.8920946026904808	Same Family
[P17948, P35916]	Cn1ccnc1c2cc3c(ccnc3s2)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccccc5	P17948	P35916	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P17948, P35916]	c1cc(c(cc1Br)c2nc3c(c(n2)Nc4ccncc4C(=O)NCCCN5CCCC5=O)nccn3)F	P17948	P35916	7.327902142064283	6.910094888560602	0.417807253503681	Same Family
[P17948, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P35916	5.145693958198919	6.376750709602099	1.2310567514031803	Same Family
[P17948, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P17948	P35916	5.769551078621726	5.991399828238082	0.22184874961635614	Same Family
[P17948, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P17948	P35916	5.966576244513051	8.221848749616356	2.2552725051033056	Same Family
[P17948, P35916]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35916	7.1249387366083	7.638272163982407	0.513333427374107	Same Family
[P17948, P35916]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35916	8.090022885540245	8.119987161633228	0.0299642760929828	Same Family
[P17948, P35916]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P17948	P35916	6.221125527997261	6.772113295386326	0.5509877673890653	Same Family
[P17948, P35916]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P17948	P35916	7.7447274948966935	8.744727494896694	1.0	Same Family
[P17948, P35916]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17948	P35916	5.431798275933005	5.284832642151542	0.14696563378146266	Same Family
[P17948, P35916]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35916	5.2403321553103694	7.327902142064283	2.0875699867539135	Same Family
[P17948, P35916]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35916	6.187086643357144	8.154901959985743	1.9678153166285988	Same Family
[P17948, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P36888	5.54882784248746	7.657577319177793	2.108749476690333	Different Family
[P17948, P36888]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P17948	P36888	8.367542707815275	8.714442690992227	0.3468999831769519	Different Family
[P17948, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P36888	8.522878745280337	7.1487416512809245	1.3741370939994129	Different Family
[P17948, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P36888	7.795880017344075	8.795880017344075	1.0	Different Family
[P17948, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P36888	6.798602875679548	7.0670191780768015	0.2684163023972532	Different Family
[P17948, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P36888	8.267606240177031	9.698970004336019	1.4313637641589878	Different Family
[P17948, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P36888	7.920818753952375	8.309803919971486	0.38898516601911126	Different Family
[P17948, P36888]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P17948	P36888	4.558169282423191	6.355317024239985	1.7971477418167936	Different Family
[P17948, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P36888	4.481486060122113	6.2760335672039105	1.7945475070817976	Different Family
[P17948, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P36888	8.886056647693163	8.886056647693163	0.0	Different Family
[P17948, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P36888	7.225743871829482	7.585026652029182	0.35928278019969984	Different Family
[P17948, P36888]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P36888	6.494850021680094	8.154901959985743	1.6600519383056493	Different Family
[P17948, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	P36888	8.698970004336019	8.045757490560675	0.653212513775344	Different Family
[P17948, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P36888	7.698970004336019	8.221848749616356	0.5228787452803374	Different Family
[P17948, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5cccnc5	P17948	P36888	6.6020599913279625	7.853871964321762	1.2518119729937993	Different Family
[P17948, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Oc5ccccc5	P17948	P36888	7.267606240177032	7.795880017344075	0.5282737771670432	Different Family
[P17948, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)OCc5ccccc5	P17948	P36888	6.698970004336019	8.154901959985743	1.4559319556497243	Different Family
[P17948, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Oc5ccccc5	P17948	P36888	6.494850021680094	7.920818753952375	1.4259687322722812	Different Family
[P17948, P36888]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P17948	P36888	7.698970004336019	7.301029995663981	0.3979400086720375	Different Family
[P17948, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P17948	P36888	8.167491087293763	8.25336580106242	0.08587471376865707	Different Family
[P17948, P36888]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P17948	P36888	8.838631997765026	8.913640169325252	0.07500817156022599	Different Family
[P17948, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P36888	6.769551078621726	7.568636235841013	0.7990851572192872	Different Family
[P17948, P36888]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P17948	P36888	6.455931955649724	7.568636235841013	1.1127042801912888	Different Family
[P17948, P36888]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P17948	P36888	6.229147988357856	7.366531544420414	1.1373835560625576	Different Family
[P17948, P36888]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P36888	3.7956086680807	4.402304814074488	0.6066961459937876	Different Family
[P17948, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P36888	8.2839966563652	8.420818753952375	0.13682209758717434	Different Family
[P17948, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P17948	P36888	8.721246399047171	8.742321425130816	0.0210750260836452	Different Family
[P17948, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P17948	P36888	8.6903698325741	8.661543506395395	0.02882632617870584	Different Family
[P17948, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P17948	P36888	8.698970004336019	8.698970004336019	0.0	Different Family
[P17948, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P36888	6.376750709602099	7.7447274948966935	1.3679767852945943	Different Family
[P17948, P36888]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P36888	6.537602002101044	8.0	1.4623979978989556	Different Family
[P17948, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P36888	7.086186147616283	7.769551078621726	0.6833649310054426	Different Family
[P17948, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	P36888	8.0	7.657577319177793	0.3424226808222066	Different Family
[P17948, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P36888	5.275724130399211	5.366531544420414	0.09080741402120296	Different Family
[P17948, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P36888	5.585026652029182	5.481486060122113	0.10354059190706888	Different Family
[P17948, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P17948	P36888	8.790435346129012	8.916489102104872	0.12605375597586033	Different Family
[P17948, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P36888	5.522878745280337	6.142667503568732	0.6197887582883945	Different Family
[P17948, P36888]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCCN5CCCC5	P17948	P36888	6.7447274948966935	7.721246399047171	0.9765189041504776	Different Family
[P17948, P36888]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P17948	P36888	6.431798275933005	7.769551078621726	1.3377528026887209	Different Family
[P17948, P36888]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P36888	3.927750102386485	4.3851027839668655	0.45735268158038034	Different Family
[P16234, P17948]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	7.214670164989233	8.045757490560675	0.8310873255714419	Different Family
[P16234, P17948]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	7.552841968657781	8.154901959985743	0.6020599913279625	Different Family
[P16234, P17948]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	7.455931955649724	8.096910013008056	0.6409780573583319	Different Family
[P16234, P17948]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P16234	5.54882784248746	6.431798275933005	0.8829704334455446	Different Family
[P16234, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P16234	8.522878745280337	6.609064892896621	1.9138138523837167	Different Family
[P16234, P17948]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P16234	6.798602875679548	6.39577394691553	0.4028289287640181	Different Family
[P16234, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P16234	8.267606240177031	9.221848749616356	0.9542425094393252	Different Family
[P16234, P17948]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P16234	7.920818753952375	9.619788758288394	1.6989700043360187	Different Family
[P16234, P17948]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P16234	4.481486060122113	6.7035786584344494	2.2220925983123365	Different Family
[P16234, P17948]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	7.086186147616283	7.698970004336019	0.6127838567197355	Different Family
[P16234, P17948]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	6.488116639021126	7.958607314841775	1.470490675820649	Different Family
[P16234, P17948]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P17948	P16234	7.161150909262744	7.920818753952375	0.7596678446896306	Different Family
[P16234, P17948]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P16234	6.761953896871205	7.552841968657781	0.7908880717865756	Different Family
[P16234, P17948]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P17948	P16234	7.259637310505756	8.096910013008056	0.8372727025023003	Different Family
[P16234, P17948]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P16234	6.555955204081924	6.785156151952302	0.22920094787037826	Different Family
[P16234, P17948]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P17948	P16234	6.835647144215563	7.267606240177032	0.431959095961469	Different Family
[P16234, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P17948	P16234	8.3767507096021	7.707743928643524	0.6690067809585756	Different Family
[P16234, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P17948	P16234	8.309803919971486	6.9714287473074625	1.3383751726640236	Different Family
[P16234, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P16234	8.443697499232712	7.920818753952375	0.5228787452803374	Different Family
[P16234, P17948]	Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC	P17948	P16234	8.077103822059694	8.566336980392329	0.4892331583326346	Different Family
[P16234, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P16234	8.2839966563652	8.886056647693163	0.6020599913279625	Different Family
[P16234, P17948]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P16234	8.494850021680094	8.366531544420413	0.12831847725968082	Different Family
[P16234, P17948]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P16234	8.0	7.1487416512809245	0.8512583487190755	Different Family
[P16234, P17948]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P17948	P16234	6.4383024673460065	5.9255492810454085	0.5127531863005981	Different Family
[P16234, P17948]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P17948	P16234	6.937418015771837	6.391473966422806	0.5459440493490311	Different Family
[P16234, P17948]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P17948	P16234	7.7447274948966935	5.494850021680094	2.2498774732166	Different Family
[P16234, P17948]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P17948	P16234	7.454692883534176	6.26074419673149	1.1939486868026865	Different Family
[P16234, P17948]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17948	P16234	5.431798275933005	5.393618634889395	0.03817964104360971	Different Family
[P00533, P17948]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P17948	P00533	3.9867413347164833	4.701146923590294	0.7144055888738103	Different Family
[P00533, P17948]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4ccc(c(c4)C(F)(F)F)F	P17948	P00533	3.7221616669979527	4.570247719997592	0.8480860529996397	Different Family
[P00533, P17948]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C(F)(F)F	P17948	P00533	3.8873949984654255	4.892790030352131	1.0053950318867058	Different Family
[P00533, P17948]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P00533	3.8041003475907664	4.341035157335565	0.5369348097447983	Different Family
[P00533, P17948]	CC(C)c1ccccc1Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P00533	3.787546038959724	4.015922966097169	0.22837692713744495	Different Family
[P00533, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P00533	8.267606240177031	6.998856140607032	1.2687500995699992	Different Family
[P00533, P17948]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P17948	P00533	7.0	6.639661862517983	0.3603381374820174	Different Family
[P00533, P17948]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P17948	P00533	8.167491087293763	5.52432881167557	2.6431622756181934	Different Family
[P00533, P17948]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P17948	P00533	3.731422028117157	3.9480760839538935	0.2166540558367367	Different Family
[P00533, P17948]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P00533	3.7956086680807	4.982549270489463	1.1869406024087632	Different Family
[P00533, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P00533	8.2839966563652	6.133122185662502	2.150874470702699	Different Family
[P00533, P17948]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P00533	3.888401475119606	3.9457700901366026	0.05736861501699675	Different Family
[P00533, P17948]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P17948	P00533	4.149353764816934	5.6020599913279625	1.4527062265110287	Different Family
[P00533, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P00533	5.145693958198919	5.403402904373539	0.2577089461746205	Different Family
[P00533, P17948]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(cc4)Cl	P17948	P00533	4.097453220686009	4.000434511774018	0.09701870891199071	Different Family
[P00533, P17948]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P00533	3.7880789156914907	3.791558643561433	0.0034797278699421064	Different Family
[P00533, P17948]	c1cc(cc(c1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl)C(F)(F)F	P17948	P00533	3.8065970969375824	4.565431095965801	0.7588339990282185	Different Family
[P00533, P17948]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P00533	8.090022885540245	5.0	3.090022885540245	Different Family
[P00533, P17948]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P17948	P00533	7.7447274948966935	5.585026652029182	2.1597008428675117	Different Family
[P00533, P17948]	c1ccc(cc1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P00533	4.0030507515046185	3.7788466780452947	0.2242040734593238	Different Family
[P00533, P17948]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P00533	3.927750102386485	4.821886747685368	0.8941366452988828	Different Family
[P00533, P17948]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17948	P00533	5.431798275933005	4.0	1.431798275933005	Different Family
[P00533, P17948]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P17948	P00533	6.637044183852476	6.339419087572701	0.2976250962797753	Different Family
[P00533, P17948]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P17948	P00533	4.507239610973163	4.898940645091884	0.3917010341187215	Different Family
[P00533, P17948]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4ccc(c(c4)Br)F)N	P17948	P00533	4.028724151261895	4.066006836168758	0.03728268490686304	Different Family
[P07949, P17948]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P07949	5.54882784248746	6.006123085058789	0.4572952425713286	Different Family
[P07949, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P07949	8.522878745280337	8.301029995663981	0.22184874961635614	Different Family
[P07949, P17948]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P17948	P07949	5.088309841246139	6.6777807052660805	1.5894708640199413	Different Family
[P07949, P17948]	CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	P17948	P07949	8.698970004336019	7.113106777509403	1.585863226826616	Different Family
[P07949, P17948]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P07949	6.798602875679548	8.389423339022647	1.590820463343099	Different Family
[P07949, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P07949	8.267606240177031	8.497903821870143	0.23029758169311165	Different Family
[P07949, P17948]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P07949	8.886056647693163	8.886056647693163	0.0	Different Family
[P07949, P17948]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P17948	P07949	7.0	7.07860800348583	0.0786080034858303	Different Family
[P07949, P17948]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P17948	P07949	6.782516055786093	8.221848749616356	1.4393326938302629	Different Family
[P07949, P17948]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P17948	P07949	7.698970004336019	8.0	0.30102999566398125	Different Family
[P07949, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P17948	P07949	8.3767507096021	7.642065152999546	0.7346855566025532	Different Family
[P07949, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5ccccc5	P17948	P07949	8.031517051446064	7.22767829327708	0.8038387581689843	Different Family
[P07949, P17948]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P17948	P07949	8.309803919971486	6.777023550106609	1.5327803698648772	Different Family
[P07949, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P07949	8.2839966563652	9.698970004336019	1.4149733479708182	Different Family
[P07949, P17948]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P07949	8.494850021680094	7.7447274948966935	0.7501225267834002	Different Family
[P07949, P17948]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	P07949	8.0	6.1938200260161125	1.8061799739838875	Different Family
[P07949, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P07949	5.275724130399211	5.221848749616356	0.0538753807828547	Different Family
[P07949, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P07949	5.585026652029182	5.431798275933005	0.1532283760961768	Different Family
[P07949, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P07949	5.522878745280337	5.309803919971486	0.21307482530885125	Different Family
[P07949, P17948]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P17948	P07949	7.454692883534176	7.694648630553377	0.23995574701920042	Different Family
[P12931, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P12931	8.522878745280337	7.431798275933005	1.0910804693473324	Different Family
[P12931, P17948]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P12931	6.798602875679548	7.122628654130226	0.3240257784506779	Different Family
[P12931, P17948]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P17948	P12931	7.0	7.0435171896479485	0.043517189647948484	Different Family
[P12931, P17948]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P12931	7.225743871829482	6.806875401645539	0.41886847018394313	Different Family
[P12931, P17948]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P17948	P12931	7.4089353929735005	5.363512103646634	2.045423289326866	Different Family
[P12931, P17948]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	P12931	8.698970004336019	4.517126416391246	4.181843587944773	Different Family
[P12931, P17948]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P12931	7.337242168318426	5.262012673666569	2.0752294946518566	Different Family
[P12931, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P12931	8.2839966563652	8.397940008672037	0.11394335230683694	Different Family
[P12931, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P12931	5.145693958198919	5.11690664142431	0.028787316774608662	Different Family
[P12931, P17948]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P17948	P12931	5.769551078621726	5.0726296369609765	0.6969214416607494	Different Family
[P12931, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P12931	5.275724130399211	5.337242168318426	0.06151803791921484	Different Family
[P12931, P17948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P12931	5.585026652029182	5.6020599913279625	0.017033339298780703	Different Family
[P12931, P17948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P12931	5.522878745280337	5.337242168318426	0.18563657696191171	Different Family
[P17948, P35968]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P17948	P35968	3.9867413347164833	4.360513510731414	0.3737721760149304	Same Family
[P17948, P35968]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	7.214670164989233	8.096910013008056	0.8822398480188234	Same Family
[P17948, P35968]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	7.552841968657781	8.045757490560675	0.4929155219028942	Same Family
[P17948, P35968]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	7.455931955649724	7.920818753952375	0.46488679830265056	Same Family
[P17948, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4ccc(c(c4)C(F)(F)F)F	P17948	P35968	3.7221616669979527	3.82131076022441	0.09914909322645737	Same Family
[P17948, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C#C	P17948	P35968	3.806041021980813	3.9010103605988227	0.09496933861800949	Same Family
[P17948, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C(F)(F)F	P17948	P35968	3.8873949984654255	4.777283528852417	0.8898885303869912	Same Family
[P17948, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P17948	P35968	5.54882784248746	5.609418121449565	0.06059027896210445	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)NC(=O)c2c(ncs2)CCc3ccnc4c3cccc4	P17948	P35968	5.262807357295263	5.600326278518962	0.3375189212236984	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)NC(=O)c2c(ncs2)CCc3ccncc3	P17948	P35968	6.142667503568732	7.04764222736066	0.9049747237919279	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)NC(=O)c2ccccc2Cn3ccc-4ncnc4c3	P17948	P35968	6.214670164989233	7.214670164989233	1.0	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)NC(=O)c2ccccc2Cn3ccc4c3ccnc4	P17948	P35968	6.119186407719209	7.2839966563652006	1.164810248645992	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)Nc2nnc(o2)c3c(ncn3C)NCc4ccncc4	P17948	P35968	6.050609993355088	6.199513552156626	0.14890355880153816	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.113509274827518	7.283595497483416	1.1700862226558986	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)Nc2nnc(o2)c3ccncc3CCc4ccncc4	P17948	P35968	6.657577319177793	6.608048210363632	0.04952910881416095	Same Family
[P17948, P35968]	CC(C)(C)c1ccc(cc1)Nc2nnc(o2)c3cnccc3CCc4ccncc4	P17948	P35968	6.318758762624412	6.396317481265464	0.07755871864105135	Same Family
[P17948, P35968]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P17948	P35968	8.367542707815275	8.300162274132754	0.067380433682521	Same Family
[P17948, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P35968	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P17948, P35968]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P35968	7.795880017344075	8.096910013008056	0.30102999566398125	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)NC(=O)c2c(ncs2)CCc3ccncc3	P17948	P35968	6.075720713938118	6.887345359137068	0.8116246451989504	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)NC(=O)c2c(ncs2)CCc3cnoc3	P17948	P35968	5.193141970481182	5.79317412396815	0.6000321534869677	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)NC(=O)c2ccccc2Cn3ccc-4ncnc4c3	P17948	P35968	6.356547323513812	6.958607314841775	0.6020599913279625	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)NC(=O)c2ccccc2Cn3ccc4c3ccnc4	P17948	P35968	6.267606240177032	7.060480747381382	0.7928745072043499	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P35968	3.8041003475907664	5.853871964321762	2.0497716167309954	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)Nc2nnc(o2)c3c(ncn3C)NCc4ccncc4	P17948	P35968	6.113509274827518	6.1479247415801	0.034415466752582446	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.2076083105017466	7.208684280255182	1.001075969753435	Same Family
[P17948, P35968]	CC(C)c1ccc(cc1)Nc2nnc(o2)c3ccncc3CCc4ccncc4	P17948	P35968	6.568636235841013	6.5054976921507315	0.0631385436902816	Same Family
[P17948, P35968]	CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	P17948	P35968	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[P17948, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P17948	P35968	6.798602875679548	6.982966660701219	0.18436378502167106	Same Family
[P17948, P35968]	CC1=[N+](C(=O)C(C=C1)C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4c3)NC(=O)C5CC5)c6ccccc6	P17948	P35968	8.113509274827518	8.861539433967113	0.7480301591395957	Same Family
[P17948, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P17948	P35968	7.920818753952375	9.309803919971486	1.3889851660191113	Same Family
[P17948, P35968]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P17948	P35968	4.558169282423191	5.8191360819912035	1.2609667995680125	Same Family
[P17948, P35968]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P17948	P35968	4.481486060122113	6.38812227317138	1.906636213049267	Same Family
[P17948, P35968]	CCCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P17948	P35968	7.229147988357856	7.079633382694096	0.14951460566375996	Same Family
[P17948, P35968]	CCCNC(=O)Nc1ccc(cc1Cl)Oc2c3cc(c(cc3ncn2)OC)OC	P17948	P35968	9.0	9.0	0.0	Same Family
[P17948, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P17948	P35968	8.886056647693163	8.638272163982407	0.24778448371075612	Same Family
[P17948, P35968]	CCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P17948	P35968	6.882728704344236	7.346787486224656	0.4640587818804205	Same Family
[P17948, P35968]	CCNC(=O)c1cc([nH]c1)c2cc(ccn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)C	P17948	P35968	8.301029995663981	8.301029995663981	0.0	Same Family
[P17948, P35968]	CCNC(=O)c1cc([nH]c1)c2cc(ccn2)Oc3cccc(c3)C(=O)Nc4c(cco4)C	P17948	P35968	7.823908740944319	7.481486060122113	0.3424226808222057	Same Family
[P17948, P35968]	CCSCc1ccc2c(c1)c3c4c(c5c6cc(ccc6n7c5c3n2C8CC(C7(O8)C)(C(=O)OC)O)CSCC)CNC4=O	P17948	P35968	6.679853713888946	7.366531544420414	0.686677830531468	Same Family
[P17948, P35968]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	7.086186147616283	7.214670164989233	0.12848401737294957	Same Family
[P17948, P35968]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	6.488116639021126	7.619788758288394	1.131672119267268	Same Family
[P17948, P35968]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P17948	P35968	7.161150909262744	7.638272163982407	0.4771212547196626	Same Family
[P17948, P35968]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P35968	6.761953896871205	7.1938200260161125	0.4318661291449075	Same Family
[P17948, P35968]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P17948	P35968	7.259637310505756	8.221848749616356	0.9622114391106003	Same Family
[P17948, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P35968	7.225743871829482	7.989405350465031	0.7636614786355489	Same Family
[P17948, P35968]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P35968	6.555955204081924	7.080921907623926	0.5249667035420025	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P35968	6.494850021680094	6.769551078621726	0.27470105694163216	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	P35968	8.698970004336019	7.809894379144197	0.8890756251918219	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cc(cc(c6)Cl)Cl	P17948	P35968	5.643018599006869	7.102372908709558	1.4593543097026895	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6ccc(cc6)C(F)(F)F	P17948	P35968	5.376647318462008	6.55129368009492	1.1746463616329121	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cccc(c6)C(F)(F)F	P17948	P35968	6.06398920428479	7.468521082957745	1.4045318786729544	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3n[nH]c4c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)OC(F)(F)F	P17948	P35968	7.721246399047171	7.1150898711182045	0.6061565279289667	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3n[nH]c4c5ccc(s5)CN(C)C(=O)Nc6ccccc6Cl	P17948	P35968	5.415442639474326	6.7447274948966935	1.329284855422368	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(c(c6)Cl)Cl)C3	P17948	P35968	7.443697499232713	7.7447274948966935	0.30102999566398037	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Br)C3	P17948	P35968	7.42021640338319	7.721246399047171	0.30102999566398125	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Cl)C3	P17948	P35968	7.1938200260161125	7.6777807052660805	0.483960679249968	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)F)C3	P17948	P35968	7.080921907623926	7.795880017344075	0.7149581097201487	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)OC(F)(F)F)C3	P17948	P35968	7.6020599913279625	7.769551078621726	0.16749108729376339	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)Cl)C3	P17948	P35968	7.698970004336019	7.920818753952375	0.22184874961635614	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccc(s5)CNC(=O)Nc6ccccc6)C3	P17948	P35968	5.421934116163908	6.735182176990463	1.313248060826555	Same Family
[P17948, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P17948	P35968	6.013228265733755	6.7447274948966935	0.7314992291629387	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P35968	7.698970004336019	7.0	0.6989700043360187	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5cccnc5	P17948	P35968	6.6020599913279625	6.657577319177793	0.05551732784983088	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Oc5ccccc5	P17948	P35968	7.267606240177032	7.036212172654444	0.2313940675225874	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)OCc5ccccc5	P17948	P35968	6.698970004336019	7.318758762624412	0.6197887582883936	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Oc5ccccc5	P17948	P35968	6.494850021680094	6.7447274948966935	0.2498774732165998	Same Family
[P17948, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P17948	P35968	8.0	7.376750709602099	0.6232492903979008	Same Family
[P17948, P35968]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P17948	P35968	6.835647144215563	7.443697499232713	0.6080503550171503	Same Family
[P17948, P35968]	COCCNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OC)OC	P17948	P35968	7.136677139879544	7.92009553233328	0.7834183924537355	Same Family
[P17948, P35968]	COc1cc(cc(c1OC)OC)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P35968	3.8054856581175325	4.590066876668706	0.7845812185511734	Same Family
[P17948, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Cl	P17948	P35968	5.100592541772944	5.823908740944319	0.723316199171375	Same Family
[P17948, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35968	7.337242168318426	8.221848749616356	0.8846065812979305	Same Family
[P17948, P35968]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N)OC	P17948	P35968	4.818156412055227	4.246416941107094	0.5717394709481338	Same Family
[P17948, P35968]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P17948	P35968	3.731422028117157	7.0	3.268577971882843	Same Family
[P17948, P35968]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P17948	P35968	8.838631997765026	8.73754891026957	0.10108308749545536	Same Family
[P17948, P35968]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P17948	P35968	7.809948582240794	8.522878745280337	0.7129301630395437	Same Family
[P17948, P35968]	COc1ccc(cc1OC)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.7447274948966935	7.066266256070474	0.32153876117378033	Same Family
[P17948, P35968]	COc1cccc(c1)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.301029995663981	6.653576540361385	0.3525465446974039	Same Family
[P17948, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P17948	P35968	8.3767507096021	8.920818753952375	0.5440680443502757	Same Family
[P17948, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5ccccc5	P17948	P35968	8.031517051446064	9.301029995663981	1.269512944217917	Same Family
[P17948, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P17948	P35968	8.309803919971486	9.301029995663981	0.9912260756924951	Same Family
[P17948, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35968	6.769551078621726	7.263621775341393	0.4940706967196675	Same Family
[P17948, P35968]	Cc1cc(cc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C	P17948	P35968	5.77780395369828	7.200659450546419	1.4228554968481388	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P35968	8.443697499232712	8.98052465851433	0.5368271592816178	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P17948	P35968	7.161150909262744	8.443697499232712	1.282546589969968	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P17948	P35968	7.251811972993799	8.886056647693163	1.6342446746993637	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P17948	P35968	8.193820026016112	8.958607314841775	0.7647872888256622	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	P35968	8.130768280269024	9.106615286088541	0.9758470058195172	Same Family
[P17948, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P35968	7.481486060122113	8.958607314841775	1.4771212547196617	Same Family
[P17948, P35968]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P17948	P35968	6.455931955649724	6.431798275933005	0.024133679716719314	Same Family
[P17948, P35968]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P17948	P35968	6.229147988357856	6.318758762624412	0.08961077426655617	Same Family
[P17948, P35968]	Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OCC(C)O)C	P17948	P35968	6.42021640338319	7.570999164091299	1.1507827607081094	Same Family
[P17948, P35968]	Cc1ccc(c(c1)F)NC(=O)c2c(ncs2)CCc3ccncc3	P17948	P35968	6.200659450546418	6.573455235074067	0.37279578452764905	Same Family
[P17948, P35968]	Cc1ccc(c(c1)F)NC(=O)c2c(ncs2)CCc3cnoc3	P17948	P35968	5.519993057042849	5.670279609064841	0.15028655202199204	Same Family
[P17948, P35968]	Cc1ccc(c(c1)F)NC(=O)c2ccccc2Cn3ccc-4ncnc4c3	P17948	P35968	6.309803919971486	6.6777807052660805	0.3679767852945943	Same Family
[P17948, P35968]	Cc1ccc(c(c1)F)NC(=O)c2ccccc2Cn3ccc4c3ccnc4	P17948	P35968	6.468521082957745	6.537602002101044	0.06908091914329972	Same Family
[P17948, P35968]	Cc1ccc(c(c1)F)Nc2nnc(o2)c3c(ncn3C)NCc4ccncc4	P17948	P35968	6.229147988357856	6.389423339022647	0.16027535066479093	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)N5CCC(C5)C(=O)O)F	P17948	P35968	8.301029995663981	7.657577319177793	0.6434526764861879	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NCCCC(=O)O)F	P17948	P35968	8.397940008672037	7.823908740944319	0.5740312677277188	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NCCCO)F	P17948	P35968	8.0	7.42021640338319	0.5797835966168101	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NO)F	P17948	P35968	7.886056647693163	7.853871964321762	0.032184683371401235	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)O)F	P17948	P35968	8.397940008672037	7.508638306165727	0.8893017025063106	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)OCC(CO)O)F	P17948	P35968	7.795880017344075	7.366531544420414	0.4293484729236612	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N)F	P17948	P35968	7.958607314841775	7.853871964321762	0.10473535052001282	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P17948	P35968	8.0	7.887345359137068	0.11265464086293164	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2F)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)N5CCC(C5)C(=O)O)F	P17948	P35968	8.397940008672037	7.823908740944319	0.5740312677277188	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2F)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NCCC(=O)O)F	P17948	P35968	8.301029995663981	7.619788758288394	0.6812412373755876	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2F)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NCCCC(=O)O)F	P17948	P35968	8.522878745280337	7.769551078621726	0.7533276666586115	Same Family
[P17948, P35968]	Cc1ccc(c(c1)NC(=O)c2cccc(c2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)NO)F	P17948	P35968	7.468521082957745	7.638272163982407	0.1697510810246623	Same Family
[P17948, P35968]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P35968	6.212539525481585	6.982966660701219	0.7704271352196344	Same Family
[P17948, P35968]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	4.939944635175155	6.511449283499556	1.5715046483244013	Same Family
[P17948, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P35968	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P17948, P35968]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P35968	3.7956086680807	4.249491605148654	0.4538829370679536	Same Family
[P17948, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P35968	8.2839966563652	8.638272163982407	0.3542755076172064	Same Family
[P17948, P35968]	Cc1ccc(cc1C(F)(F)F)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.920818753952375	7.048346460017913	0.1275277060655382	Same Family
[P17948, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P35968	8.0	7.97325923198876	0.0267407680112397	Same Family
[P17948, P35968]	Cc1cccc(c1)N(C)C(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	4.55448920343327	5.127377620974712	0.5728884175414422	Same Family
[P17948, P35968]	Cc1cccc(c1)N(C)C(=O)NCc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	4.836212690037997	5.318125877871353	0.48191318783335557	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P35968	7.356547323513813	7.243124924959088	0.11342239855472513	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	5.326242063450423	6.8171250099475555	1.4908829464971323	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(CCC(C)C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	5.44189169836945	6.581698708680254	1.139807010310804	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(CCOC)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	5.645315446045271	6.767003889607846	1.121688443562575	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C7CC7	P17948	P35968	7.42021640338319	7.222392297436963	0.19782410594622668	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)C(C)C	P17948	P35968	5.549135307620234	6.910094888560602	1.360959580940368	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)CC(C)C	P17948	P35968	5.798602875679548	6.785156151952302	0.9865532762727538	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)OC	P17948	P35968	5.869344650977969	6.586700235918748	0.7173555849407789	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P35968	6.22767829327708	7.1290304611354	0.9013521678583203	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	5.538051504796238	7.025158654602398	1.4871071498061603	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)N5CCCC(C5)O	P17948	P35968	8.221848749616356	7.769551078621726	0.45229767099463025	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)O	P17948	P35968	8.698970004336019	7.823908740944319	0.8750612633917001	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P35968	8.522878745280337	8.522878745280337	0.0	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P17948	P35968	8.721246399047171	8.25770773535858	0.46353866368859187	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P17948	P35968	8.6903698325741	8.795880017344075	0.1055101847699742	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P17948	P35968	8.698970004336019	8.761439372640169	0.06246936830414995	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2F)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)O	P17948	P35968	8.522878745280337	7.853871964321762	0.6690067809585756	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)c2c(ncs2)CCc3ccncc3	P17948	P35968	5.33161408331	6.251811972993799	0.9201978896837995	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)c2cccc(c2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)O	P17948	P35968	7.886056647693163	7.5376020021010435	0.3484546455921196	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)c2ccccc2Cn3ccc-4ncnc4c3	P17948	P35968	6.2441251443275085	6.455931955649724	0.2118068113222158	Same Family
[P17948, P35968]	Cc1cccc(c1)NC(=O)c2ccccc2Cn3ccc4c3ccnc4	P17948	P35968	6.130768280269024	6.327902142064283	0.19713386179525916	Same Family
[P17948, P35968]	Cc1cccc(c1)Nc2nnc(o2)c3c(ncn3C)NCc4ccncc4	P17948	P35968	5.8996294548824375	6.1487416512809245	0.24911219639848703	Same Family
[P17948, P35968]	Cc1cccc(c1)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	5.97061622231479	5.891547750739163	0.07906847157562691	Same Family
[P17948, P35968]	Cc1ccccc1Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P17948	P35968	4.716698771296451	5.294136287716081	0.5774375164196304	Same Family
[P17948, P35968]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P35968	3.888401475119606	3.9453869454431123	0.056985470323506426	Same Family
[P17948, P35968]	Cc1ccccc1NC(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	5.305131672017544	6.913640169325252	1.6085084973077075	Same Family
[P17948, P35968]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P17948	P35968	5.686976889676762	6.798602875679548	1.1116259860027862	Same Family
[P17948, P35968]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P17948	P35968	4.602129484004629	6.35261702988538	1.750487545880751	Same Family
[P17948, P35968]	Cc1ccoc1C(=O)Nc2cccc(c2)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)N5CCC(C5)O	P17948	P35968	7.698970004336019	7.523120154133386	0.1758498502026331	Same Family
[P17948, P35968]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P35968	6.376750709602099	6.508638306165727	0.1318875965636277	Same Family
[P17948, P35968]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P35968	6.537602002101044	6.619788758288394	0.08218675618734927	Same Family
[P17948, P35968]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	P35968	7.086186147616283	6.721246399047171	0.36493974856911215	Same Family
[P17948, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	P35968	8.0	7.356547323513813	0.643452676486187	Same Family
[P17948, P35968]	Cn1ccnc1c2cc3c(ccnc3s2)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccccc5	P17948	P35968	8.522878745280337	8.522878745280337	0.0	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)NCc3ccc4c(c3)OCO4)NCc5ccncc5	P17948	P35968	6.356547323513812	6.711254100081387	0.3547067765675749	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(c(c3)C(F)(F)F)Cl)NCc4ccncc4	P17948	P35968	6.292429823902063	7.183265772210207	0.890835948308144	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(c(c3)Cl)Cl)NCc4ccncc4	P17948	P35968	6.309803919971486	6.664877073462938	0.3550731534914515	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(c(c3)OC)OC)NCc4ccncc4	P17948	P35968	6.229147988357856	7.157756853905633	0.9286088655477771	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)Br)NCc4ccncc4	P17948	P35968	5.8326826652518236	6.136677139879544	0.30399447462772056	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)C(F)(F)F)NCc4ccncc4	P17948	P35968	6.920818753952375	7.111431643747913	0.19061288979553836	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)Cl)NCCc4ccc5c(c4)OCO5	P17948	P35968	5.8326826652518236	6.017728766960432	0.18504610170860847	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)Cl)NCc4ccc(c(c4)F)F	P17948	P35968	5.480172006224281	5.489219303981322	0.00904729775704105	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)Cl)NCc4ccncc4	P17948	P35968	6.468521082957745	6.4230925678277355	0.04542851513000912	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)OC(F)(F)Cl)NCc4ccncc4	P17948	P35968	6.337242168318426	6.951892707326797	0.6146505390083714	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3ccc(cc3)OC(F)(F)F)NCc4ccncc4	P17948	P35968	6.795880017344075	7.105986557952098	0.31010654060802345	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3cccc(c3)OC(F)(F)F)NCc4ccncc4	P17948	P35968	6.251811972993799	7.111649408005794	0.859837435011995	Same Family
[P17948, P35968]	Cn1cnc(c1c2nnc(o2)Nc3cccc(c3)OC)NCc4ccncc4	P17948	P35968	6.173925197299173	7.039938336854638	0.8660131395554647	Same Family
[P17948, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCC(=O)NO	P17948	P35968	6.688246138944246	6.537602002101044	0.15064413684320144	Same Family
[P17948, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P17948	P35968	6.4383024673460065	6.6252516539898965	0.18694918664388993	Same Family
[P17948, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P17948	P35968	6.937418015771837	6.392009141452825	0.545408874319012	Same Family
[P17948, P35968]	c1cc(c(cc1Br)c2nc3c(c(n2)Nc4ccncc4C(=O)NCCCN5CCCC5=O)nccn3)F	P17948	P35968	7.327902142064283	6.853871964321762	0.4740301777425211	Same Family
[P17948, P35968]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P17948	P35968	4.149353764816934	4.34008379993015	0.19073003511321573	Same Family
[P17948, P35968]	c1cc(c(cc1NC(=O)c2c(ncs2)CCc3ccncc3)C(F)(F)F)Cl	P17948	P35968	6.142667503568732	6.644941317444092	0.5022738138753597	Same Family
[P17948, P35968]	c1cc(c(cc1NC(=O)c2c(ncs2)CCc3ccncc3)Cl)Cl	P17948	P35968	6.229147988357856	6.88812227317138	0.6589742848135236	Same Family
[P17948, P35968]	c1cc(c(cc1NC(=O)c2c(ncs2)CCc3cnoc3)C(F)(F)F)Cl	P17948	P35968	5.274088367704952	5.673664139071248	0.39957577136629663	Same Family
[P17948, P35968]	c1cc(c(cc1NC(=O)c2c(ncs2)CCc3cnoc3)Cl)Cl	P17948	P35968	5.266000713461613	5.903089986991944	0.6370892735303304	Same Family
[P17948, P35968]	c1cc(c(nc1)CCc2ccncc2)c3nnc(o3)NCc4ccc5c(c4)OCO5	P17948	P35968	6.853871964321762	6.804091538193376	0.04978042612838607	Same Family
[P17948, P35968]	c1cc(c(nc1)CCc2ccncc2)c3nnc(o3)Nc4ccc(c(c4)Cl)Cl	P17948	P35968	6.568636235841013	6.5646225275549295	0.004013708286083606	Same Family
[P17948, P35968]	c1cc(c(nc1)CCc2ccncc2)c3nnc(o3)Nc4ccc(cc4)C(F)(F)F	P17948	P35968	6.494850021680094	7.177879207078136	0.6830291853980421	Same Family
[P17948, P35968]	c1cc(c(nc1)CCc2ccncc2)c3nnc(o3)Nc4ccc(cc4)OC(F)(F)Cl	P17948	P35968	6.136677139879544	7.43259281483977	1.2959156749602263	Same Family
[P17948, P35968]	c1cc(c(nc1)CCc2ccncc2)c3nnc(o3)Nc4ccc(cc4)OC(F)(F)F	P17948	P35968	6.251811972993799	7.324488573707939	1.0726766007141393	Same Family
[P17948, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P17948	P35968	5.145693958198919	6.508638306165727	1.362944347966808	Same Family
[P17948, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P17948	P35968	5.769551078621726	7.958607314841775	2.1890562362200487	Same Family
[P17948, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P17948	P35968	5.966576244513051	7.7447274948966935	1.778151250383643	Same Family
[P17948, P35968]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(c(c4)Cl)Cl	P17948	P35968	3.925915310971756	4.1904402853647325	0.2645249743929763	Same Family
[P17948, P35968]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(cc4)Cl	P17948	P35968	4.097453220686009	4.185086818724926	0.08763359803891735	Same Family
[P17948, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P17948	P35968	5.275724130399211	5.301029995663981	0.02530586526477041	Same Family
[P17948, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P17948	P35968	5.585026652029182	6.0	0.4149733479708182	Same Family
[P17948, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P17948	P35968	8.790435346129012	8.649301437839775	0.14113390828923755	Same Family
[P17948, P35968]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P17948	P35968	3.7880789156914907	6.522878745280337	2.7347998295888467	Same Family
[P17948, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P17948	P35968	7.4089353929735005	8.34948500216801	0.9405496091945089	Same Family
[P17948, P35968]	c1cc(cc(c1)Nc2nnc(o2)c3cccnc3CCc4ccncc4)C(F)(F)F	P17948	P35968	6.657577319177793	7.076213670428944	0.4186363512511502	Same Family
[P17948, P35968]	c1cc(cc(c1)Nc2nnc(o2)c3ccncc3CCc4ccncc4)C(F)(F)F	P17948	P35968	6.119186407719209	6.103244497103571	0.015941910615637767	Same Family
[P17948, P35968]	c1cc(cc(c1)Nc2nnc(o2)c3cnccc3CCc4ccncc4)C(F)(F)F	P17948	P35968	5.913640169325252	5.868916893474397	0.04472327585085445	Same Family
[P17948, P35968]	c1cc(cc(c1)OC(F)(F)F)Nc2nnc(o2)c3cccnc3CCc4ccncc4	P17948	P35968	6.585026652029182	7.0598791120522595	0.4748524600230777	Same Family
[P17948, P35968]	c1cc(cc(c1)OC(F)(F)F)Nc2nnc(o2)c3ccncc3CCc4ccncc4	P17948	P35968	6.1487416512809245	6.196701845410358	0.0479601941294332	Same Family
[P17948, P35968]	c1cc(cc(c1)OC(F)(F)F)Nc2nnc(o2)c3cnccc3CCc4ccncc4	P17948	P35968	6.130768280269024	6.189411859112482	0.0586435788434585	Same Family
[P17948, P35968]	c1cc(ccc1C(F)(F)F)Nc2nnc(o2)c3ccncc3CCc4ccncc4	P17948	P35968	6.075720713938118	6.340134752834889	0.2644140388967706	Same Family
[P17948, P35968]	c1cc(ccc1C(F)(F)F)Nc2nnc(o2)c3cnccc3CCc4ccncc4	P17948	P35968	6.173925197299173	6.243657801891418	0.06973260459224484	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Oc3ccnc(c3)c4cc(c[nH]4)C(=O)O	P17948	P35968	7.698970004336019	7.853871964321762	0.15490195998574308	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)c2c(ncs2)CCc3ccncc3)Br	P17948	P35968	5.414539270491499	6.028450688497257	0.6139114180057579	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)c2c(ncs2)CCc3ccncc3)Cl	P17948	P35968	6.508638306165727	6.954166521202158	0.4455282150364308	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)c2c(ncs2)CCc3ccncc3)N4CCOCC4	P17948	P35968	5.632644078973981	6.192656828858993	0.5600127498850123	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)c2c(ncs2)CCc3ccncc3)OC(F)(F)Cl	P17948	P35968	6.119186407719209	7.014594194563741	0.8954077868445323	Same Family
[P17948, P35968]	c1cc(ccc1NC(=O)c2c(ncs2)CCc3cnoc3)Cl	P17948	P35968	5.337242168318426	5.685550217789697	0.3483080494712709	Same Family
[P17948, P35968]	c1cc(ccc1Nc2nnc(o2)c3ccncc3CCc4ccncc4)OC(F)(F)Cl	P17948	P35968	6.0915149811213505	6.466650724788503	0.3751357436671521	Same Family
[P17948, P35968]	c1cc(ccc1Nc2nnc(o2)c3ccncc3CCc4ccncc4)OC(F)(F)F	P17948	P35968	6.031517051446065	6.318194010053928	0.28667695860786235	Same Family
[P17948, P35968]	c1cc(ccc1Nc2nnc(o2)c3cnccc3CCc4ccncc4)OC(F)(F)Cl	P17948	P35968	6.275724130399211	6.292847655935834	0.017123525536622886	Same Family
[P17948, P35968]	c1cc(ccc1Nc2nnc(o2)c3cnccc3CCc4ccncc4)OC(F)(F)F	P17948	P35968	6.327902142064283	6.368063661567389	0.04016151950310576	Same Family
[P17948, P35968]	c1cc(ccc1c2c(c(sn2)NC(=O)NCCCN3CCOCC3)C(=O)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35968	7.886056647693163	8.221848749616356	0.3357921019231931	Same Family
[P17948, P35968]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	P35968	7.1249387366083	7.795880017344075	0.6709412807357751	Same Family
[P17948, P35968]	c1cc2c(cc1N3CCC(CC3)N4CCCCC4)nc([nH]2)c5c6ccc(cc6n[nH]5)F	P17948	P35968	8.0	7.785156151952302	0.21484384804769796	Same Family
[P17948, P35968]	c1cc2c(cc1NC(=O)c3c(ncs3)CCc4ccncc4)OCO2	P17948	P35968	6.1249387366083	6.4566421680275585	0.3317034314192586	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P17948	P35968	6.161150909262744	6.356547323513812	0.1953964142510678	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(c(c4)Cl)Cl	P17948	P35968	6.585026652029182	7.251811972993799	0.6667853209646175	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(cc4)Br	P17948	P35968	6.113509274827518	6.42021640338319	0.30670712855567217	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(cc4)Cl	P17948	P35968	6.853871964321762	7.327902142064283	0.4740301777425211	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(cc4)N5CCOCC5	P17948	P35968	6.522878745280337	6.6777807052660805	0.15490195998574308	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc(cc4)OC(F)(F)Cl	P17948	P35968	5.935542010773082	7.022276394711152	1.0867343839380705	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc-3ncnc3c2)C(=O)Nc4ccc5c(c4)OCO5	P17948	P35968	6.443697499232713	6.638272163982407	0.19457466474969376	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P17948	P35968	6.3872161432802645	6.508638306165727	0.12142216288546237	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(c(c4)Cl)Cl	P17948	P35968	6.657577319177793	7.180456064458132	0.5228787452803383	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(cc4)Br	P17948	P35968	6.022276394711152	6.356547323513812	0.33427092880265974	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(cc4)Cl	P17948	P35968	6.657577319177793	7.036212172654444	0.37863485347665105	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(cc4)N5CCOCC5	P17948	P35968	6.468521082957745	6.552841968657781	0.08432088570003593	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc(cc4)OC(F)(F)Cl	P17948	P35968	5.903089986991944	7.136677139879544	1.2335871528876003	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2ccnc3)C(=O)Nc4ccc5c(c4)OCO5	P17948	P35968	6.7447274948966935	6.886056647693163	0.14132915279646951	Same Family
[P17948, P35968]	c1ccc(c(c1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N)Cl	P17948	P35968	3.898596649444669	4.747146969020107	0.8485503195754376	Same Family
[P17948, P35968]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P17948	P35968	7.7447274948966935	7.958607314841775	0.2138798199450811	Same Family
[P17948, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P17948	P35968	5.522878745280337	5.3872161432802645	0.13566260200007285	Same Family
[P17948, P35968]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCCN5CCCC5	P17948	P35968	6.7447274948966935	6.619788758288394	0.1249387366082999	Same Family
[P17948, P35968]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P17948	P35968	7.154901959985743	6.920818753952375	0.23408320603336819	Same Family
[P17948, P35968]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P17948	P35968	6.431798275933005	6.431798275933005	0.0	Same Family
[P17948, P35968]	c1ccc(cc1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P17948	P35968	4.0030507515046185	4.623423042943488	0.6203722914388692	Same Family
[P17948, P35968]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P17948	P35968	8.045757490560675	8.096910013008056	0.05115252244738144	Same Family
[P17948, P35968]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P17948	P35968	7.454692883534176	8.934833115752497	1.4801402322183206	Same Family
[P17948, P35968]	c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3ccccc3Cn4ccc-5ncnc5c4	P17948	P35968	5.5968794788241825	5.809668301829708	0.2127888230055257	Same Family
[P17948, P35968]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P17948	P35968	3.927750102386485	4.645891560852599	0.7181414584661137	Same Family
[P17948, P35968]	c1ccc(cc1)c2ccc(cc2)NC(=O)c3ccccc3Cn4ccc-5ncnc5c4	P17948	P35968	5.943095148663527	6.161150909262744	0.21805576059921705	Same Family
[P17948, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17948	P35968	5.431798275933005	5.2247537402597635	0.20704453567324155	Same Family
[P17948, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P17948	P35968	7.920818753952375	7.2441251443275085	0.6766936096248664	Same Family
[P17948, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P17948	P35968	7.552841968657781	7.236572006437063	0.31626996222071746	Same Family
[P17948, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P17948	P35968	6.790484985457369	6.619788758288394	0.1706962271689756	Same Family
[P17948, P35968]	c1ccc2c(c1)c(ccn2)CCc3c(scn3)C(=O)Nc4ccc(cc4)Cl	P17948	P35968	5.164309428507575	5.471083299722345	0.3067738712147703	Same Family
[P17948, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35968	5.2403321553103694	7.040958607678906	1.8006264523685367	Same Family
[P17948, P35968]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P17948	P35968	6.187086643357144	8.096910013008056	1.909823369650912	Same Family
[P17948, P35968]	c1ccc2c(c1)cc(cn2)NC(=O)c3ccccc3NCc4ccncc4	P17948	P35968	6.795880017344075	7.56246936830415	0.766589350960075	Same Family
[P17948, P35968]	c1ccc2c(c1)cc(cn2)Nc3nnc(o3)c4cccnc4CCc5ccncc5	P17948	P35968	6.356547323513812	6.42021640338319	0.06366907986937775	Same Family
[P17948, P35968]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P17948	P35968	4.507239610973163	6.2076083105017466	1.7003686995285836	Same Family
[P17948, P35968]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5cccc(c5)Br)N	P17948	P35968	4.795880017344075	4.525783735923745	0.27009628142033026	Same Family
[P17948, P35968]	c1ccc2c(c1)cccc2Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P17948	P35968	3.8239087409443187	4.826813731587726	1.0029049906434073	Same Family
[P17948, P35968]	c1ccc2cc(ccc2c1)Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P17948	P35968	4.294136287716081	4.640164517660112	0.3460282299440305	Same Family
[P17948, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4ccc(c(c4)Br)F)N	P17948	P35968	4.028724151261895	4.617982957425132	0.5892588061632367	Same Family
[P17948, P35968]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P17948	P35968	6.3979400086720375	7.518106086327222	1.1201660776551847	Same Family
[P11362, P17948]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	7.214670164989233	7.267606240177032	0.05293607518779897	Different Family
[P11362, P17948]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	7.552841968657781	7.769551078621726	0.21670910996394532	Different Family
[P11362, P17948]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	7.455931955649724	7.7447274948966935	0.2887955392469692	Different Family
[P11362, P17948]	CC(C)(C)NC(=O)Nc1ccc2c(c1)c(n[nH]2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	9.0	9.0	0.0	Different Family
[P11362, P17948]	CC(C)(C)NC(=O)Nc1cccc2c1c(n[nH]2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	8.397940008672037	8.522878745280337	0.1249387366082999	Different Family
[P11362, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	P11362	8.522878745280337	7.886056647693163	0.6368220975871743	Different Family
[P11362, P17948]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P17948	P11362	7.795880017344075	6.790484985457369	1.0053950318867058	Different Family
[P11362, P17948]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P17948	P11362	5.088309841246139	5.458420756053419	0.3701109148072801	Different Family
[P11362, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	P11362	8.267606240177031	8.200659450546418	0.06694678963061307	Different Family
[P11362, P17948]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	7.086186147616283	7.301029995663981	0.21484384804769796	Different Family
[P11362, P17948]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	6.488116639021126	7.055517327849832	0.5674006888287062	Different Family
[P11362, P17948]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P17948	P11362	7.161150909262744	7.6020599913279625	0.44090908206521817	Different Family
[P11362, P17948]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P17948	P11362	6.761953896871205	7.086186147616283	0.32423225074507833	Different Family
[P11362, P17948]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P17948	P11362	7.259637310505756	7.180456064458132	0.07918124604762422	Different Family
[P11362, P17948]	CN1CCC(CC1)N(C)c2ccc3c(c2)nc([nH]3)c4c5ccccc5n[nH]4	P17948	P11362	8.096910013008056	7.7447274948966935	0.3521825181113627	Different Family
[P11362, P17948]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P11362	7.225743871829482	7.2677386874207635	0.04199481559128149	Different Family
[P11362, P17948]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P17948	P11362	6.555955204081924	6.6595558851598815	0.10360068107795772	Different Family
[P11362, P17948]	CN1CCN(CC1)Cc2ccc3c(c2)nc([nH]3)c4c5ccccc5n[nH]4	P17948	P11362	6.769551078621726	6.568636235841013	0.2009148427807128	Different Family
[P11362, P17948]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cccn5)nc4O)N	P17948	P11362	7.130768280269024	7.366531544420414	0.23576326415139004	Different Family
[P11362, P17948]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P17948	P11362	8.0	8.071333751784366	0.07133375178436552	Different Family
[P11362, P17948]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccncc5nc4O)N	P17948	P11362	8.522878745280337	8.397940008672037	0.1249387366082999	Different Family
[P11362, P17948]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c5ccccc5n[nH]4	P17948	P11362	7.356547323513813	7.086186147616283	0.2703611758975297	Different Family
[P11362, P17948]	CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4c(c5ccccc5nc4O)N	P17948	P11362	7.853871964321762	8.0	0.14612803567823818	Different Family
[P11362, P17948]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P17948	P11362	6.782516055786093	8.334419008982048	1.5519029531959543	Different Family
[P11362, P17948]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P17948	P11362	7.698970004336019	6.6020599913279625	1.0969100130080562	Different Family
[P11362, P17948]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P17948	P11362	6.835647144215563	7.1487416512809245	0.3130945070653617	Different Family
[P11362, P17948]	COC(=O)c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	7.823908740944319	7.136677139879544	0.6872316010647745	Different Family
[P11362, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	P11362	8.443697499232712	5.568636235841013	2.875061263391699	Different Family
[P11362, P17948]	Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OCC(C)O)C	P17948	P11362	6.42021640338319	7.346719190813538	0.9265027874303478	Different Family
[P11362, P17948]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	P11362	8.2839966563652	8.744727494896694	0.460730838531493	Different Family
[P11362, P17948]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P17948	P11362	8.0	6.853871964321762	1.1461280356782382	Different Family
[P11362, P17948]	Cn1c2c(cn1)c(c(c(n2)O)c3[nH]c4ccccc4n3)N	P17948	P11362	5.366531544420414	5.522878745280337	0.1563472008599236	Different Family
[P11362, P17948]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	P11362	8.0	7.187086643357144	0.8129133566428557	Different Family
[P11362, P17948]	c1cc-2nc(nc2[nH]c1)c3c(c4ccncc4nc3O)N	P17948	P11362	8.221848749616356	7.522878745280337	0.6989700043360187	Different Family
[P11362, P17948]	c1cc2c(c(c1)F)n[nH]c2c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	6.823908740944319	6.698970004336019	0.1249387366082999	Different Family
[P11362, P17948]	c1cc2c(cc1C(F)(F)F)n[nH]c2c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	8.698970004336019	8.698970004336019	0.0	Different Family
[P11362, P17948]	c1cc2c(cc1N3CCC(CC3)N4CCCCC4)nc([nH]2)c5c6ccc(cc6n[nH]5)F	P17948	P11362	8.0	7.622672965372284	0.377327034627716	Different Family
[P11362, P17948]	c1cc2c(cc1N3CCOCC3)nc([nH]2)c4c(c5ccncc5nc4O)N	P17948	P11362	8.397940008672037	8.0	0.3979400086720375	Different Family
[P11362, P17948]	c1cc2c(cc1N3CCOCC3)nc([nH]2)c4c(c5cnccc5nc4O)N	P17948	P11362	7.431798275933005	7.0	0.431798275933005	Different Family
[P11362, P17948]	c1cc2c(cc1NCC3CCCCC3)c(n[nH]2)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P17948	P11362	7.6777807052660805	7.795880017344075	0.11809931207799451	Different Family
[P11362, P17948]	c1ccc(cc1)COc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P17948	P11362	8.522878745280337	8.096910013008056	0.42596873227228116	Different Family
[P11362, P17948]	c1ccc(cc1)COc2ccc3c(c2)n[nH]c3c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P17948	P11362	7.958607314841775	7.638272163982407	0.3203351508593677	Different Family
[P11362, P17948]	c1ccc(cc1)COc2cccc3c2c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P17948	P11362	7.200659450546419	7.026872146400302	0.1737873041461171	Different Family
[P11362, P17948]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P17948	P11362	7.454692883534176	6.1913164908710305	1.2633763926631456	Different Family
[P11362, P17948]	c1ccc(cc1)Oc2ccc3c(c2)c([nH]n3)c4[nH]c5ccc(cc5n4)N6CCC(CC6)N7CCCCC7	P17948	P11362	7.552841968657781	7.823908740944319	0.2710667722865381	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c-4cnnc4[nH]c3O)N	P17948	P11362	6.1605219526258015	5.498940737782249	0.6615812148435527	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c-4ncnc4[nH]c3O)N	P17948	P11362	6.220403508742176	5.575118363368933	0.6452851453732427	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4nc3O)O	P17948	P11362	5.404503778174425	5.301029995663981	0.10347378251044415	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c4ccncc4nc3O)N	P17948	P11362	8.397940008672037	8.0	0.3979400086720375	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c4ccncc4nc3O)O	P17948	P11362	6.735182176990463	6.239577516576788	0.495604660413675	Different Family
[P11362, P17948]	c1ccc2c(c1)[nH]c(n2)c3c(c4ccsc4nc3O)N	P17948	P11362	6.87942606879415	6.458420756053419	0.42100531274073116	Different Family
[P11362, P17948]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)N5CCC(CC5)N6CCCCC6	P17948	P11362	7.552841968657781	7.318758762624412	0.23408320603336819	Different Family
[P11362, P17948]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)N5CCOCC5	P17948	P11362	7.301029995663981	7.0	0.30102999566398125	Different Family
[P11362, P17948]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)OCCCN5CCCC5	P17948	P11362	7.318758762624412	7.008773924307505	0.3099848383169075	Different Family
[P11362, P17948]	c1ccc2c(c1)c([nH]n2)c3[nH]c4ccc(cc4n3)n5ccnc5	P17948	P11362	7.017728766960432	6.6777807052660805	0.33994806169435154	Different Family
[P11362, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P17948	P11362	7.920818753952375	7.600329725273209	0.32048902867916595	Different Family
[P11362, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P17948	P11362	7.552841968657781	7.439713034397075	0.1131289342607058	Different Family
[P11362, P17948]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P17948	P11362	6.790484985457369	6.856659515322535	0.06617452986516614	Different Family
[P11362, P17948]	c1ccc2c(c1)c(c(c(n2)O)c3nc-4ccc([nH]c4n3)N5CCOCC5)N	P17948	P11362	8.0	7.327902142064283	0.6720978579357171	Different Family
[P11362, P17948]	c1ccc2c(c1)c(c(c(n2)O)c3nc-4ccc[nH]c4n3)N	P17948	P11362	7.657577319177793	7.292429823902063	0.3651474952757301	Different Family
[P11362, P17948]	c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3	P17948	P11362	6.142667503568732	5.853871964321762	0.2887955392469701	Different Family
[P11362, P17948]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P17948	P11362	5.552841968657781	5.173925197299174	0.3789167713586066	Different Family
[P17948, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	Q02763	8.522878745280337	7.479303657420887	1.04357508785945	Different Family
[P17948, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	Q02763	8.267606240177031	6.671212799645465	1.5963934405315658	Different Family
[P17948, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P17948	Q02763	8.698970004336019	5.337242168318426	3.361727836017593	Different Family
[P17948, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)C(F)(F)F)C3	P17948	Q02763	7.853871964321762	6.586700235918748	1.2671717284030137	Different Family
[P17948, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P17948	Q02763	6.013228265733755	4.320635707655532	1.692592558078223	Different Family
[P17948, Q02763]	COc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3coc4c3c(ncn4)N)F	P17948	Q02763	6.480001470881152	6.650004100737144	0.17000262985599157	Different Family
[P17948, Q02763]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P17948	Q02763	7.809948582240794	8.449814727441218	0.6398661452004246	Different Family
[P17948, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	Q02763	6.769551078621726	7.769551078621726	1.0	Different Family
[P17948, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P17948	Q02763	8.0	7.721246399047171	0.27875360095282886	Different Family
[P17948, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P17948	Q02763	8.2839966563652	8.657577319177793	0.37358066281259283	Different Family
[P17948, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P17948	Q02763	7.102372908709558	6.3819519032879075	0.7204210054216507	Different Family
[P17948, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P17948	Q02763	8.698970004336019	6.139672321724138	2.5592976826118807	Different Family
[P17948, Q02763]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P17948	Q02763	7.4089353929735005	7.552841968657781	0.1439065756842801	Different Family
[P17948, Q02763]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3coc4c3c(ncn4)N)C(F)(F)F	P17948	Q02763	8.15002808767115	7.99012436628784	0.15990372138330944	Different Family
[P17948, Q02763]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	Q02763	7.1249387366083	7.657577319177793	0.5326385825694935	Different Family
[P17948, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F	P17948	Q02763	6.859995049380551	6.41999931041096	0.439995738969591	Different Family
[P17948, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4Cl)C(F)(F)F	P17948	Q02763	6.729996999894941	6.69000807121882	0.03998892867612103	Different Family
[P17948, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P17948	Q02763	8.090022885540245	7.803768480298833	0.28625440524141155	Different Family
[P17948, Q02763]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P17948	Q02763	6.221125527997261	4.753476800033426	1.4676487279638346	Different Family
[P17948, Q02763]	c1ccc(cc1)Oc2cccc(c2)NC(=O)Nc3ccc(cc3)c4coc5c4c(ncn5)N	P17948	Q02763	5.760000207113128	6.390000296157769	0.6300000890446409	Different Family
[P17948, Q02763]	c1ccc2c(c1)cccc2NC(=O)Nc3ccc(cc3)c4coc5c4c(ncn5)N	P17948	Q02763	6.350003492533959	6.740000204918113	0.38999671238415434	Different Family
[P17948, Q02763]	c1ccc2cc(ccc2c1)NC(=O)Nc3ccc(cc3)c4coc5c4c(ncn5)N	P17948	Q02763	7.619969752032169	7.090016305060156	0.5299534469720131	Different Family
[O14965, P17948]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P17948	O14965	8.367542707815275	5.441309425467385	2.92623328234789	Different Group
[O14965, P17948]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P17948	O14965	8.522878745280337	7.376750709602099	1.1461280356782382	Different Group
[O14965, P17948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P17948	O14965	8.267606240177031	8.160579629225387	0.10702661095164423	Different Group
[O14965, P17948]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P17948	O14965	7.4089353929735005	6.966576244513051	0.4423591484604499	Different Group
[O14965, P17948]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	O14965	7.698970004336019	6.055517327849832	1.643452676486187	Different Group
[O14965, P17948]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P17948	O14965	6.782516055786093	5.42021640338319	1.3622996524029034	Different Group
[O14965, P17948]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P17948	O14965	8.838631997765026	6.244018488604927	2.594613509160099	Different Group
[O14965, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	O14965	8.443697499232712	5.5376020021010435	2.906095497131669	Different Group
[O14965, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P17948	O14965	7.161150909262744	6.167491087293763	0.993659821968981	Different Group
[O14965, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P17948	O14965	8.193820026016112	6.769551078621726	1.4242689473943866	Different Group
[O14965, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P17948	O14965	8.130768280269024	6.443697499232713	1.6870707810363106	Different Group
[O14965, P17948]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P17948	O14965	7.481486060122113	6.920818753952375	0.560667306169738	Different Group
[O14965, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P17948	O14965	8.721246399047171	6.4470885497834916	2.2741578492636796	Different Group
[O14965, P17948]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P17948	O14965	8.6903698325741	6.605005790081489	2.0853640424926114	Different Group
[O14965, P17948]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	O14965	6.376750709602099	6.366531544420414	0.010219165181685419	Different Group
[O14965, P17948]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	O14965	6.537602002101044	6.769551078621726	0.23194907652068153	Different Group
[O14965, P17948]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P17948	O14965	7.086186147616283	6.455931955649724	0.630254191966559	Different Group
[O14965, P17948]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P17948	O14965	8.0	6.537602002101044	1.4623979978989556	Different Group
[O14965, P17948]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P17948	O14965	8.790435346129012	5.747181901218205	3.043253444910807	Different Group
[O14965, P17948]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P17948	O14965	6.431798275933005	6.229147988357856	0.2026502875751488	Different Group
[O14965, P17948]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17948	O14965	5.431798275933005	5.872895201635193	0.4410969257021877	Different Group
[P04049, P35968]	CC(C)(C)c1cc(on1)NC(=O)Nc2cc(ccc2F)c3cc4cnc(cc4n(c3=O)C5CCOC5)NC	P04049	P35968	8.508638306165727	9.337242168318426	0.8286038621526988	Different Group
[P04049, P35968]	CC(c1ccccc1)Nc2cc(ccn2)c3c(nc(s3)C4CCN(CC4)C)c5ccc(cc5)F	P04049	P35968	5.6777807052660805	5.769551078621726	0.09177037335564542	Different Group
[P04049, P35968]	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F	P04049	P35968	6.3872161432802645	6.443697499232713	0.05648135595244863	Different Group
[P04049, P35968]	CCn1c2cc(ncc2cc(c1=O)c3cc(c(cc3C)F)NC(=O)NCCC(C)(C)C)NC	P04049	P35968	8.2839966563652	7.6020599913279625	0.681936665037238	Different Group
[P04049, P35968]	CCn1c2cc(ncc2cc(c1=O)c3ccc(c(c3)NC(=O)Nc4cc(no4)C(C)(C)C)F)NC	P04049	P35968	8.537602002101044	8.721246399047171	0.18364439694612678	Different Group
[P04049, P35968]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P04049	P35968	5.187086643357144	5.886056647693163	0.6989700043360187	Different Group
[P04049, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P04049	P35968	6.031517051446065	8.221848749616356	2.190331698170291	Different Group
[P04049, P35968]	Cc1c(cc2cnc(cc2n1)NC)c3ccc(c(c3)NC(=O)NCCC(C)(C)C)F	P04049	P35968	8.795880017344075	7.481486060122113	1.314393957221962	Different Group
[P04049, P35968]	Cc1c(cc2cnc(nc2n1)NC)c3ccc(c(c3)NC(=O)NCCC(C)(C)C)F	P04049	P35968	8.55284196865778	6.1249387366083	2.4279032320494807	Different Group
[P04049, P35968]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCC(C(C)(C)C)O)F	P04049	P35968	8.142667503568731	6.1249387366083	2.017728766960431	Different Group
[P04049, P35968]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P04049	P35968	8.2518119729938	6.769551078621726	1.4822608943720734	Different Group
[P04049, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2)NC)NC(=O)NCCC(C)(C)C)F	P04049	P35968	8.920818753952375	5.721246399047171	3.1995723549052038	Different Group
[P04049, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P04049	P35968	7.871641127011256	5.4089353929735005	2.4627057340377556	Different Group
[P04049, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P04049	P35968	7.167491087293763	6.255707016877324	0.9117840704164397	Different Group
[P04049, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P04049	P35968	5.39577394691553	5.935542010773082	0.5397680638575517	Different Group
[P04049, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P04049	P35968	5.2335871528876	7.958607314841775	2.7250201619541743	Different Group
[P04049, P35968]	c1cc(ccc1c2c(oc(n2)C3(CCNCC3)O)c4ccnc(c4)NC5CCCCC5)F	P04049	P35968	5.060480747381382	5.853871964321762	0.7933912169403801	Different Group
[P04049, P35968]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P04049	P35968	4.619788758288394	6.113509274827518	1.493720516539124	Different Group
[P04049, P35968]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P04049	P35968	5.206209615309182	8.096910013008056	2.8907003976988745	Different Group
[P04049, P35968]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P04049	P35968	5.795880017344075	6.180456064458132	0.3845760471140567	Different Group
[P04049, P35968]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P04049	P35968	5.070581074285707	5.187086643357144	0.11650556907143717	Different Group
[P04049, Q02750]	CN(C)C(=O)Oc1ccc2c(c1)oc(=O)c(c2CF)Cc3cccc(c3)NS(=O)(=O)N	P04049	Q02750	6.657577319177793	7.221848749616356	0.5642714304385628	Different Group
[P04049, Q02750]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P04049	Q02750	5.187086643357144	5.045757490560675	0.14132915279646951	Different Group
[P04049, Q02750]	CNS(=O)(=O)Nc1cccc(c1)Cc2c(c3ccc(cc3oc2=O)OC(=O)N(C)C)CF	P04049	Q02750	6.920818753952375	7.180456064458132	0.2596373105057568	Different Group
[P04049, Q02750]	Cc1c(cccc1NS(=O)(=O)NC)Cc2c(c3ccc(cc3oc2=O)Oc4ncccn4)C	P04049	Q02750	5.443697499232713	5.376750709602099	0.06694678963061396	Different Group
[P04049, Q02750]	Cc1c2cc(c(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)N)OC(=O)N(C)C)F	P04049	Q02750	6.7447274948966935	6.958607314841775	0.2138798199450811	Different Group
[P04049, Q02750]	Cc1c2cc(c(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)OC(=O)N(C)C)C#C	P04049	Q02750	7.154901959985743	7.0	0.15490195998574308	Different Group
[P04049, Q02750]	Cc1c2cc(c(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)OC(=O)N(C)C)C#N	P04049	Q02750	7.259637310505756	7.070581074285707	0.18905623622004875	Different Group
[P04049, Q02750]	Cc1c2cc(c(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)OC(=O)N(C)C)Cl	P04049	Q02750	8.096910013008056	8.154901959985743	0.05799194697768684	Different Group
[P04049, Q02750]	Cc1c2cc(c(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)OC(=O)N(C)C)I	P04049	Q02750	7.6020599913279625	8.301029995663981	0.6989700043360187	Different Group
[P04049, Q02750]	Cc1c2ccc(c(c2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)N)F)OC(=O)N(C)C	P04049	Q02750	6.920818753952375	6.619788758288394	0.30102999566398125	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cc(ccc3F)NS(=O)(=O)N)OC(=O)N(C)C	P04049	Q02750	6.080921907623926	6.026872146400302	0.05404976122362459	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cc(ccc3F)NS(=O)(=O)NC)OC(=O)N(C)C	P04049	Q02750	5.619788758288394	5.5376020021010435	0.08218675618735016	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3ccc(c(c3)NS(=O)(=O)N)F)OC(=O)N(C)C	P04049	Q02750	5.958607314841775	7.356547323513813	1.3979400086720384	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)N)OC(=O)N(C)C	P04049	Q02750	6.275724130399211	6.638272163982407	0.3625480335831961	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)OC(=O)N(C)C	P04049	Q02750	6.522878745280337	6.958607314841775	0.43572856956143724	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3)NS(=O)(=O)NC)Oc4nccs4	P04049	Q02750	5.823908740944319	7.229147988357856	1.4052392474135376	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3F)NS(=O)(=O)N)OC(=O)N(C)C	P04049	Q02750	7.886056647693163	7.275724130399211	0.6103325172939522	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3F)NS(=O)(=O)NC)OC(=O)N(C)C	P04049	Q02750	8.096910013008056	7.42021640338319	0.6766936096248664	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3F)NS(=O)(=O)NC)Oc4ncccn4	P04049	Q02750	7.638272163982407	7.013228265733755	0.6250438982486521	Different Group
[P04049, Q02750]	Cc1c2ccc(cc2oc(=O)c1Cc3cccc(c3F)NS(=O)(=O)NC)Oc4nccs4	P04049	Q02750	7.200659450546419	7.585026652029182	0.38436720148276304	Different Group
[P04049, Q02750]	Cc1cc2c(c(c(=O)oc2cc1OC(=O)N(C)C)Cc3cccc(c3)NS(=O)(=O)NC)C	P04049	Q02750	7.107905397309519	7.5376020021010435	0.4296966047915243	Different Group
[P04049, Q02750]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P04049	Q02750	4.619788758288394	4.892790030352131	0.2730012720637376	Different Group
[P04049, Q02750]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P04049	Q02750	5.795880017344075	5.958607314841775	0.16272729749769965	Different Group
[P04049, Q02750]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P04049	Q02750	5.070581074285707	4.522878745280337	0.5477023290053697	Different Group
[P04049, P15056]	CC(=O)Nc1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.029188389127482	6.417115133460447	0.38792674433296526	Same Family
[P04049, P15056]	CC(=O)Nc1cccc(c1)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	6.164246032480617	6.364313888982336	0.2000678565017191	Same Family
[P04049, P15056]	CC(CNc1nccc(n1)n2ccnc2Cc3cccc(c3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl)O	P04049	P15056	8.056011124926227	7.0736441409067305	0.9823669840194968	Same Family
[P04049, P15056]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P04049	P15056	6.869964306007462	8.200030365288617	1.3300660592811546	Same Family
[P04049, P15056]	CCCS(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.357139947415509	6.5830483441226395	0.2259083967071307	Same Family
[P04049, P15056]	CCCS(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.2832456425673024	6.8426053889188285	0.5593597463515261	Same Family
[P04049, P15056]	CCOc1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.806875401645538	6.454785119447106	0.6479097178015678	Same Family
[P04049, P15056]	CCS(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.167746629802992	6.634170651055952	0.46642402125296023	Same Family
[P04049, P15056]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P04049	P15056	7.568636235841013	7.4300604567993815	0.13857577904163154	Same Family
[P04049, P15056]	CCn1c2cc(ncc2cc(c1=O)c3cc(c(cc3C)F)NC(=O)NCCC(C)(C)C)NC	P04049	P15056	8.2839966563652	7.911099344371969	0.3728973119932313	Same Family
[P04049, P15056]	CN(C)c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	5.495937117321308	6.549721321431402	1.0537842041100944	Same Family
[P04049, P15056]	CN(C)c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.38933983691012	6.05736534071378	0.6680255038036593	Same Family
[P04049, P15056]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)sc(n3)NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F	P04049	P15056	6.247183568811729	5.910094888560602	0.33708868025112704	Same Family
[P04049, P15056]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)sc(n3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P04049	P15056	6.954677021213342	6.882728704344236	0.07194831686910685	Same Family
[P04049, P15056]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)sc(n3)NC(=O)Nc4ccc(c(c4)Cl)Cl	P04049	P15056	7.823908740944319	7.022276394711152	0.8016323462331663	Same Family
[P04049, P15056]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)sc(n3)NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	P04049	P15056	6.158015195409886	5.366531544420414	0.7914836509894725	Same Family
[P04049, P15056]	COc1cc(ccc1F)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.120961494762763	6.73769394398109	0.6167324492183273	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2cc3c(cc2OC)ncnc3Nc4cc(ccc4Cl)O	P04049	P15056	6.610125441609014	7.359378747075792	0.7492533054667776	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2cc3c(cc2OC)ncnc3Nc4cccc(c4)O	P04049	P15056	6.1073489661227	7.043676446890842	0.9363274807681421	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ccn3)Nc4cc(ccc4F)NS(=O)(=O)C	P04049	P15056	4.891434976267165	5.375890032774457	0.4844550565072918	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ccn3)Nc4cc(ccc4F)O	P04049	P15056	7.017276612331455	7.71108756950988	0.6938109571784254	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ccn3)Nc4cccc(c4)O	P04049	P15056	6.866780543267506	7.658026434624244	0.7912458913567377	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.450874073241889	6.729893217987749	0.27901914474586054	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4c(ccc5c4cn[nH]5)F	P04049	P15056	5.948076083953893	6.51412800296771	0.5660519190138169	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4c(cccc4F)F	P04049	P15056	5.354479485094126	6.135122853705569	0.7806433686114431	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(c(cc4Cl)Cl)O	P04049	P15056	6.546528766277064	7.309714402495253	0.7631856362181884	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(c(cc4F)Cl)O	P04049	P15056	7.1598939055432425	7.830105397525875	0.6702114919826325	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(c(cc4F)F)O	P04049	P15056	7.440093374963888	8.284479027332058	0.8443856523681701	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(ccc4Cl)O	P04049	P15056	6.537003387971944	7.313401427437412	0.7763980394654686	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(ccc4F)NS(=O)(=O)C	P04049	P15056	5.975104039892515	6.593700091748687	0.618596051856172	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cc(ccc4F)O	P04049	P15056	6.770830297460899	7.713843069538625	0.9430127720777266	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F	P04049	P15056	5.666149854897455	5.978666574820261	0.3125167199228063	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)O)Cl	P04049	P15056	6.7942544590573375	7.498916969121746	0.7046625100644084	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)O)F	P04049	P15056	6.876801924968001	7.701448718988091	0.8246467940200901	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4F)O)F	P04049	P15056	6.704652851666382	8.442194744162851	1.737541892496469	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)F	P04049	P15056	5.838033383635925	5.963747117270238	0.1257137336343126	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)O	P04049	P15056	6.298259367562787	6.268237150912004	0.030022216650783307	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4)S(=O)(=O)N	P04049	P15056	5.707079700399993	6.2221124721590755	0.5150327717590821	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4F)Cl	P04049	P15056	5.903437561625864	6.089700571271933	0.18626300964606912	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4F)F	P04049	P15056	6.054482177922161	6.276752130315609	0.22226995239344838	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4O)C(=O)O	P04049	P15056	6.236721788981021	6.27454051210132	0.037818723120298436	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc(cc4O)Cl	P04049	P15056	6.091568601033994	5.90813381494644	0.18343478608755337	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)OCO5	P04049	P15056	5.853871964321762	6.165775054401447	0.3119030900796851	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)[nH]cn5	P04049	P15056	5.589391457431632	6.165992506797313	0.5766010493656806	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)[nH]nn5	P04049	P15056	6.011842527443247	6.01273015349703	8.876260537826752E-4	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccc5cn[nH]c5c4	P04049	P15056	5.484391050765519	5.914400141599789	0.43000909083426997	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)C(=O)N	P04049	P15056	6.013049212141484	6.517623470427411	0.5045742582859276	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)F	P04049	P15056	5.884722408604099	6.258027850712677	0.3733054421085784	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)N	P04049	P15056	5.883724412419456	6.156646981634802	0.2729225692153463	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)NC(=O)C(F)(F)F	P04049	P15056	6.078105529070898	6.4322543036620345	0.3541487745911365	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)NS(=O)(=O)C	P04049	P15056	5.85078088734462	6.350612464505653	0.4998315771610331	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	6.5934598195660445	7.473560727421185	0.8801009078551401	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)OC(F)F	P04049	P15056	6.005199100705396	6.270285450173235	0.2650863494678388	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)S(=O)(=O)N	P04049	P15056	6.052076380168273	6.362926850637537	0.31085047046926384	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)[N+](=O)[O-]	P04049	P15056	5.155336471759761	6.381547099028289	1.2262106272685278	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4Cl)O	P04049	P15056	6.818728228440539	7.328443472577031	0.5097152441364923	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4[nH]c(=O)[nH]5	P04049	P15056	5.076031035124529	6.007776581176867	0.9317455460523387	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4[nH]nn5	P04049	P15056	5.894830572000668	6.164316351784278	0.26948577978360966	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4c(n[nH]5)Cl	P04049	P15056	6.542269451754001	6.819423567452012	0.27715411569801063	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.393188853081036	6.859567235555191	0.4663783824741543	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccccc4	P04049	P15056	5.667561540084395	6.082471949139942	0.41491040905554666	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccccc4F	P04049	P15056	5.84103473961659	6.231852571526504	0.3908178319099145	Same Family
[P04049, P15056]	COc1cc(ccc1O)c2ccc3c(c2)c(ncn3)Nc4ccccc4O	P04049	P15056	5.509479690636652	6.299116266013192	0.78963657537654	Same Family
[P04049, P15056]	COc1cc2c(cc1c3ccc(cc3)N)c(ncn2)Nc4cccc(c4)O	P04049	P15056	6.065350077099289	7.184568515714909	1.1192184386156194	Same Family
[P04049, P15056]	COc1cc2c(cc1c3ccc(cc3)O)c(ncn2)Nc4cccc(c4)O	P04049	P15056	6.1024828705994745	7.201180923193723	1.0986980525942487	Same Family
[P04049, P15056]	COc1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	5.9111554372729955	7.09264186289316	1.1814864256201645	Same Family
[P04049, P15056]	COc1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.530398867886174	6.119566631538037	0.5891677636518624	Same Family
[P04049, P15056]	COc1ccc(cc1)c2ccc3c(c2)c(ncn3)Oc4cccc(c4)O	P04049	P15056	5.632457726479424	6.792698982731283	1.160241256251859	Same Family
[P04049, P15056]	COc1ccc(cc1C=O)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.632271453913024	6.96714890939996	0.3348774554869358	Same Family
[P04049, P15056]	COc1ccc(cc1C=O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.471211808225104	7.055497139478733	0.5842853312536294	Same Family
[P04049, P15056]	COc1ccc(cc1Cl)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.133889960155623	6.564572471908482	0.43068251175285877	Same Family
[P04049, P15056]	COc1ccc(cc1Cl)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.057694247104106	6.642878847420214	0.5851846003161079	Same Family
[P04049, P15056]	COc1ccc(cc1F)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.208098919990428	6.712203405135391	0.5041044851449623	Same Family
[P04049, P15056]	COc1ccc(cc1F)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.172372295232567	6.730188993677951	0.5578166984453841	Same Family
[P04049, P15056]	COc1ccc(cc1O)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	5.80771138743188	6.015466390765836	0.2077550033339559	Same Family
[P04049, P15056]	COc1ccc(cc1OC)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.012467797270161	6.558323469114011	0.5458556718438503	Same Family
[P04049, P15056]	COc1ccc(cc1OC)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.061130178487013	6.637724855113851	0.5765946766268382	Same Family
[P04049, P15056]	COc1cccc(c1)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	5.858236769724212	6.264714643870525	0.4064778741463124	Same Family
[P04049, P15056]	COc1cccc(c1)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.797170296355578	6.449466218171338	0.6522959218157602	Same Family
[P04049, P15056]	COc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	5.6201508212371705	6.92260670197483	1.3024558807376598	Same Family
[P04049, P15056]	COc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.408824049688208	6.418258107726424	1.0094340580382157	Same Family
[P04049, P15056]	COc1cccc(c1F)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.537003387971944	7.03963423056814	0.5026308425961963	Same Family
[P04049, P15056]	COc1cccc(c1F)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.1244178956721145	6.899953310758493	0.7755354150863782	Same Family
[P04049, P15056]	COc1cccc(c1OC)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.670805584911549	6.354261738702045	0.6834561537904955	Same Family
[P04049, P15056]	CS(=O)(=O)Nc1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.007613830343365	6.424056943658476	0.4164431133151112	Same Family
[P04049, P15056]	CS(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	6.065047292182142	7.088850564368816	1.023803272186674	Same Family
[P04049, P15056]	CS(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.890759031411797	6.31941383036753	0.42865479895573344	Same Family
[P04049, P15056]	CS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.557990840859048	6.898919649151521	0.34092880829247285	Same Family
[P04049, P15056]	CS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.186819467413988	6.585361754076633	0.3985422866626447	Same Family
[P04049, P15056]	Cc1c(cccc1O)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	6.301029995663981	6.795456653907522	0.4944266582435404	Same Family
[P04049, P15056]	Cc1cc(c(cc1O)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O)F	P04049	P15056	6.521289244487241	7.164811660750098	0.643522416262857	Same Family
[P04049, P15056]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCC(C(C)(C)C)O)F	P04049	P15056	8.142667503568731	7.7266739956596036	0.4159935079091275	Same Family
[P04049, P15056]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P04049	P15056	8.2518119729938	7.541823868539584	0.7099881044542151	Same Family
[P04049, P15056]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P04049	P15056	7.871641127011256	7.7502293323700275	0.12141179464122853	Same Family
[P04049, P15056]	Cc1cc(ccc1OC)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.731422028117157	6.230386451718405	0.49896442360124826	Same Family
[P04049, P15056]	Cc1cc(ccc1c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5)OC	P04049	P15056	5.596193389452577	6.09833495337368	0.5021415639211027	Same Family
[P04049, P15056]	Cc1ccc(c(c1)F)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	5.7198771036976925	6.198809342255316	0.4789322385576238	Same Family
[P04049, P15056]	Cc1ccc(cc1NC(=O)c2ccc(cc2)O)NC(=O)c3cccc(c3)N(C)C	P04049	P15056	7.508638306165727	6.638272163982407	0.87036614218332	Same Family
[P04049, P15056]	Cc1ccc(cc1NC(=O)c2cnoc2C)NC(=O)c3cc(cc(c3)N4CCN(CC4)C)C(F)(F)F	P04049	P15056	7.348721986001856	5.699988638892108	1.648733347109748	Same Family
[P04049, P15056]	Cc1ccc(cc1Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O)O	P04049	P15056	6.228780098050466	7.1856012572166446	0.9568211591661786	Same Family
[P04049, P15056]	Cc1ccc(cc1Nc2ccc3c(c2)c(=O)n(cn3)C)NC(=O)c4cccc(c4)C(C)(C)C#N	P04049	P15056	6.42021640338319	5.578396073130169	0.8418203302530207	Same Family
[P04049, P15056]	Cc1ccc(cc1O)Nc2c3cc(ccc3ncn2)c4ccc(c(c4)OC)O	P04049	P15056	5.97387548325455	6.712845436354721	0.7389699531001712	Same Family
[P04049, P15056]	Cc1ccc(cc1c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5)F	P04049	P15056	6.109299602301125	6.538283016017862	0.42898341371673787	Same Family
[P04049, P15056]	Cc1cncn1c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)CNc4ccc5c(c4)n[nH]c5C(=O)NC(C)C(=O)N	P04049	P15056	4.413412695328245	5.065680719215445	0.6522680238872001	Same Family
[P04049, P15056]	Cn1c2cccc(c2cn1)Nc3c4cc(ccc4ncn3)c5ccc(c(c5)OC)O	P04049	P15056	5.407379178678018	6.396175371769509	0.988796193091491	Same Family
[P04049, P15056]	[C-]#[N+]c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.200452692874385	6.5640067570994916	0.3635540642251067	Same Family
[P04049, P15056]	c1cc(cc(c1)C(=O)N)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.493494967595128	6.957213441634124	0.4637184740389966	Same Family
[P04049, P15056]	c1cc(cc(c1)C(=O)N)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.233438447362469	6.886478502732569	0.6530400553700995	Same Family
[P04049, P15056]	c1cc(cc(c1)C(F)(F)F)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.073863428932551	6.439644150426643	0.365780721494092	Same Family
[P04049, P15056]	c1cc(cc(c1)F)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.230992129056226	6.583114180719415	0.3521220516631889	Same Family
[P04049, P15056]	c1cc(cc(c1)O)Nc2c3cc(ccc3ncn2)c4ccc(cc4)O	P04049	P15056	6.475474063373624	7.354621083509193	0.8791470201355693	Same Family
[P04049, P15056]	c1cc(cc(c1)O)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.23381030668984	6.541562350367727	0.3077520436778869	Same Family
[P04049, P15056]	c1cc(cc(c1)O)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	6.52360317327467	7.422014843920804	0.8984116706461345	Same Family
[P04049, P15056]	c1cc(cc(c1)O)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.707079700399993	6.545557324834036	0.8384776244340424	Same Family
[P04049, P15056]	c1cc(cc(c1)[N+](=O)[O-])c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	5.79317412396815	6.319908487314588	0.5267343633464376	Same Family
[P04049, P15056]	c1cc(cc(c1)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5)C#N	P04049	P15056	6.541513236201793	6.9571449805203365	0.4156317443185431	Same Family
[P04049, P15056]	c1cc(cc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5)C#N	P04049	P15056	6.5320960534772	6.786802933773757	0.2547068802965571	Same Family
[P04049, P15056]	c1cc(cc(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5)CO	P04049	P15056	5.851397345193907	6.312571775970572	0.46117443077666564	Same Family
[P04049, P15056]	c1cc(ccc1c2ccc3c(c2)c(ncn3)Nc4cc(c(cc4F)F)O)Cl	P04049	P15056	6.833569886156718	7.885928196201129	1.0523583100444114	Same Family
[P04049, P15056]	c1cc(ccc1c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4F)O)F)Cl	P04049	P15056	5.454445492765935	6.742782576008723	1.288337083242788	Same Family
[P04049, P15056]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(=O)N2	P04049	P15056	8.356547323513812	8.118908384672588	0.2376389388412239	Same Family
[P04049, P15056]	c1cc2c(cc1c3ccc4c(c3)c(ncn4)Nc5ccc(c(c5F)O)F)cn[nH]2	P04049	P15056	6.59176003468815	8.483288122256525	1.8915280875683749	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5cc(ccc5F)N	P04049	P15056	5.625801742070918	6.598518639025387	0.9727168969544691	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc(c(c5)Cl)F	P04049	P15056	5.913284336055118	6.271798883524722	0.3585145474696043	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc(c(c5)F)F	P04049	P15056	6.305745887974721	6.719465594829301	0.4137197068545797	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc(cc5)Cl	P04049	P15056	6.036826283624748	6.540761505123845	0.5039352214990966	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc(cc5)N	P04049	P15056	6.019088062223156	6.525857937232114	0.506769875008958	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc(cc5)O	P04049	P15056	5.375408540873152	6.303750862379893	0.928342321506741	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc6c(c5)OCO6	P04049	P15056	6.24542234395527	6.821823555106901	0.576401211151631	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3c4cc(ccc4ncn3)c5ccc6c(c5)cn[nH]6	P04049	P15056	6.14092177525303	6.676165655586063	0.5352438803330326	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3ccnc4c3cc(cc4)c5cc(ccc5F)N	P04049	P15056	5.877456475931246	6.822494564071001	0.9450380881397553	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3ccnc4c3cc(cc4)c5ccc(cc5)N	P04049	P15056	6.123089688655373	6.594850297524587	0.47176060886921434	Same Family
[P04049, P15056]	c1cc2c(cn[nH]2)c(c1)Nc3ccnc4c3cc(cc4)c5ccc(cc5)O	P04049	P15056	6.3879582553547305	6.72921611877678	0.3412578634220491	Same Family
[P04049, P15056]	c1ccc(c(c1)c2ccc3c(c2)c(ccn3)Nc4cccc5c4cn[nH]5)F	P04049	P15056	5.987162775294828	6.459485267430761	0.472322492135933	Same Family
[P04049, P15056]	c1ccc(c(c1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5)F	P04049	P15056	6.1494762911210055	6.701448883718271	0.5519725925972656	Same Family
[P04049, P15056]	c1ccc(cc1)Nc2c3cc(ccc3ncn2)c4ccc(cc4)O	P04049	P15056	5.02429253646282	5.355966872210448	0.3316743357476284	Same Family
[P04049, P15056]	c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)O	P04049	P15056	5.1780281823579575	6.685356377302392	1.5073281949444342	Same Family
[P04049, P15056]	c1ccc(cc1)c2ccc3c(c2)c(ncn3)Nc4cccc5c4cn[nH]5	P04049	P15056	6.224025668870631	6.619126151705656	0.39510048283502464	Same Family
[P09619, P10721]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P09619	P10721	9.0	8.522878745280337	0.4771212547196626	Same Family
[P09619, P10721]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P10721	5.702896349850744	6.531652669587842	0.8287563197370984	Same Family
[P09619, P10721]	CC(C)(C)c1ccc(cc1)Nc2c3ccccc3c(nn2)Cc4ccncc4	P09619	P10721	5.698970004336019	6.0	0.30102999566398125	Same Family
[P09619, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P09619	P10721	8.0	8.0	0.0	Same Family
[P09619, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P09619	P10721	9.0	7.698970004336019	1.3010299956639813	Same Family
[P09619, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P09619	P10721	6.508638306165727	7.698970004336019	1.1903316981702918	Same Family
[P09619, P10721]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P09619	P10721	6.391473966422806	7.2441251443275085	0.8526511779047024	Same Family
[P09619, P10721]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P09619	P10721	7.3872161432802645	8.017728766960431	0.6305126236801666	Same Family
[P09619, P10721]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P09619	P10721	5.036212172654444	5.869964306007462	0.833752133353018	Same Family
[P09619, P10721]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P09619	P10721	4.52726570743409	5.636636395486714	1.109370688052624	Same Family
[P09619, P10721]	CCN(CC)CC(CNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C)O	P09619	P10721	7.714442690992226	8.387216143280265	0.6727734522880384	Same Family
[P09619, P10721]	CCN(CC)CCCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P10721	7.671620396561262	8.00436480540245	0.3327444088411875	Same Family
[P09619, P10721]	CCN(CC)CCCNc1c2c(ccs2)nc(n1)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P09619	P10721	5.236572006437063	5.214670164989233	0.02190184144783025	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4c(cccc4F)NC3=O)C	P09619	P10721	7.20690839982342	7.3655227298392685	0.15861433001584846	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Br)C	P09619	P10721	8.119186407719209	8.638272163982407	0.5190857562631983	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C(=O)OC)C	P09619	P10721	7.153044674980176	6.592269271973665	0.5607754030065113	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C)C	P09619	P10721	7.806875401645538	8.387216143280265	0.5803407416347266	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Cl)C	P09619	P10721	7.91721462968355	8.568636235841012	0.651421606157462	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P10721	7.995678626217358	8.619788758288394	0.6241101320710358	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)OC)C	P09619	P10721	6.993962045002683	7.449771646944906	0.45580960194222264	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)S(=O)(=O)N(CC)CC)C	P09619	P10721	6.402633949733972	6.400553624274724	0.0020803254592483	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C	P09619	P10721	7.876148359032914	8.161150909262744	0.2850025502298301	Same Family
[P09619, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cccc(c4NC3=O)F)C	P09619	P10721	6.5845258318907645	6.742801573860656	0.15827574196989147	Same Family
[P09619, P10721]	CCN1CCN(CC1)C2CCc3c2ccc(c3)C(=O)Nc4ccc(c(c4)Nc5nccc(n5)c6cccnc6)C	P09619	P10721	7.823908740944319	7.585026652029182	0.23888208891513685	Same Family
[P09619, P10721]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P09619	P10721	5.96537154337468	6.051587034221399	0.08621549084671898	Same Family
[P09619, P10721]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P09619	P10721	6.278601624478495	6.440332721611942	0.16173109713344758	Same Family
[P09619, P10721]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P09619	P10721	5.976747540366288	5.82131076022441	0.15543678014187812	Same Family
[P09619, P10721]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cc(cc4)O	P09619	P10721	6.522878745280337	5.568636235841013	0.9542425094393243	Same Family
[P09619, P10721]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P09619	P10721	6.301029995663981	6.045757490560675	0.25527250510330646	Same Family
[P09619, P10721]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3ccc(cc3)O	P09619	P10721	7.0	6.3979400086720375	0.6020599913279625	Same Family
[P09619, P10721]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3cccc(c3)Cl	P09619	P10721	6.096910013008056	5.619788758288394	0.4771212547196626	Same Family
[P09619, P10721]	COc1cc(ccc1Cl)Nc2c3ccccc3c(nn2)Cc4ccncc4	P09619	P10721	5.698970004336019	5.455931955649724	0.24303804868629442	Same Family
[P09619, P10721]	COc1cc(ccc1O)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P09619	P10721	7.698970004336019	6.698970004336019	1.0	Same Family
[P09619, P10721]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P10721	8.301029995663981	7.795880017344075	0.5051499783199063	Same Family
[P09619, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P09619	P10721	7.787812395596042	8.39577394691553	0.6079615513194874	Same Family
[P09619, P10721]	COc1ccc(cc1)c2c3c([nH]n2)-c4cc(sc4C3)c5ccc(nc5)N	P09619	P10721	6.440332721611942	7.560667306169737	1.1203345845577948	Same Family
[P09619, P10721]	COc1ccc(cc1)c2c3c([nH]n2)-c4cc(sc4C3)c5ccc(nc5)NC(=O)CN6CCCC6	P09619	P10721	6.755722879198157	7.913640169325252	1.1579172901270942	Same Family
[P09619, P10721]	COc1ccc(cc1)c2c3c([nH]n2)-c4cc(sc4C3)c5cccnc5	P09619	P10721	6.319301970302365	7.605548319173784	1.286246348871419	Same Family
[P09619, P10721]	COc1ccc(cc1)c2cc-3c(s2)Cc4c3[nH]nc4c5ccc(cc5)OC	P09619	P10721	6.499763525174361	7.657577319177793	1.1578137940034328	Same Family
[P09619, P10721]	COc1cccc(c1)Nc2c3ccccc3c(nn2)Cc4ccncc4	P09619	P10721	6.096910013008056	5.522878745280337	0.5740312677277188	Same Family
[P09619, P10721]	COc1cccc(c1)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P09619	P10721	5.853871964321762	5.130768280269024	0.7231036840527381	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCC(CC5)N6CCCCC6	P09619	P10721	7.39040559077478	8.10790539730952	0.7174998065347395	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCCC5CN6CCCC6	P09619	P10721	6.926648297613099	8.070581074285707	1.1439327766726084	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCOCC5	P09619	P10721	7.396855627379818	8.67778070526608	1.2809250778862626	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCCC5	P09619	P10721	7.188424994129407	7.97061622231479	0.7821912281853836	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCOCC5	P09619	P10721	7.7447274948966935	8.244125144327509	0.499397649430815	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN(C)C	P09619	P10721	7.6439741428068775	8.18045606445813	0.5364819216512533	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCC5	P09619	P10721	7.380906669373258	8.130768280269024	0.7498616108957661	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCCC5	P09619	P10721	7.712198270069774	8.236572006437063	0.5243737363672887	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCOCC5	P09619	P10721	7.87942606879415	8.698970004336019	0.8195439355418683	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCO	P09619	P10721	7.896196279044043	8.853871964321762	0.9576756852777191	Same Family
[P09619, P10721]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCc5ccccn5	P09619	P10721	6.7942544590573375	7.423658649794207	0.6294041907368699	Same Family
[P09619, P10721]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P09619	P10721	7.034798298974088	8.364516253185087	1.3297179542109996	Same Family
[P09619, P10721]	Cc1cc(cc(c1)Nc2c3ccccc3c(nn2)Cc4ccncc4)C	P09619	P10721	6.096910013008056	5.698970004336019	0.3979400086720375	Same Family
[P09619, P10721]	Cc1cc(cc(c1O)C)C=NNC(=O)Nc2ccc(cc2)c3nc4ccsc4c(n3)N5CCOCC5	P09619	P10721	5.154901959985743	5.251811972993799	0.09691001300805624	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P10721	7.853871964321762	6.823908740944319	1.0299632233774432	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P09619	P10721	7.6777807052660805	6.619788758288394	1.0579919469776868	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P09619	P10721	8.080921907623926	6.769551078621726	1.3113708290022004	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P09619	P10721	8.229147988357855	7.6777807052660805	0.5513672830917749	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	P10721	8.259637310505756	7.638272163982407	0.621365146523349	Same Family
[P09619, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P10721	7.721246399047171	6.886056647693163	0.8351897513540081	Same Family
[P09619, P10721]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P10721	7.180456064458132	7.795880017344075	0.6154239528859433	Same Family
[P09619, P10721]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P09619	P10721	6.27523275435369	6.185419483989682	0.08981327036400799	Same Family
[P09619, P10721]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P09619	P10721	8.847711655616944	6.347077112432058	2.500634543184886	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P09619	P10721	6.114412643810344	7.260111344915457	1.145698701105113	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P09619	P10721	4.450996737974212	7.488116639021126	3.037119901046913	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCC(C6)N(C)C	P09619	P10721	7.7508447231052	7.3936399227910785	0.35720480031412105	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)C	P09619	P10721	7.3872161432802645	6.276544327964814	1.1106718153154507	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(=O)OC(C)(C)C	P09619	P10721	6.632644078973981	5.925915310971757	0.7067287680022245	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C(C)C	P09619	P10721	7.7447274948966935	7.638272163982407	0.1064553309142866	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)CCO	P09619	P10721	7.698970004336019	7.494850021680094	0.20411998265592501	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCC5N6CCNCC6	P09619	P10721	7.920818753952375	7.795880017344075	0.1249387366082999	Same Family
[P09619, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3ccncc3)NC(=O)c4ccc5c(c4)CCC5N6CCN(CC6)C	P09619	P10721	7.619788758288394	6.279014255846261	1.340774502442133	Same Family
[P09619, P10721]	Cc1ccc(cc1OC2CCN(CC2)C(=O)c3ccncc3)NC(=O)c4cccc(c4)C(F)(F)F	P09619	P10721	6.920818753952375	7.00436480540245	0.08354605145007543	Same Family
[P09619, P10721]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P09619	P10721	7.075720713938118	7.130768280269024	0.055047566330905795	Same Family
[P09619, P10721]	Cc1cccc(c1)Nc2c3ccccc3c(nn2)Cc4ccncc4	P09619	P10721	6.0	5.6020599913279625	0.3979400086720375	Same Family
[P09619, P10721]	Cc1cccc2c1cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P09619	P10721	6.339134521996131	6.301029995663981	0.03810452633215	Same Family
[P09619, P10721]	Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P09619	P10721	8.221848749616356	7.698970004336019	0.5228787452803374	Same Family
[P09619, P10721]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P09619	P10721	5.549750891680639	8.221848749616356	2.672097857935717	Same Family
[P09619, P10721]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P09619	P10721	5.673664139071248	9.0	3.3263358609287517	Same Family
[P09619, P10721]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P09619	P10721	5.638272163982407	7.769551078621726	2.131278914639319	Same Family
[P09619, P10721]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P09619	P10721	6.2441251443275085	7.958607314841775	1.714482170514266	Same Family
[P09619, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P10721	5.337242168318426	5.154901959985743	0.1823402083326826	Same Family
[P09619, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P10721	5.657577319177793	6.102372908709558	0.4447955895317648	Same Family
[P09619, P10721]	c1cc(cc(c1)O)Cc2ccc(cc2)c3c4c([nH]n3)-c5ccsc5C4	P09619	P10721	6.927382523454764	6.856672870007953	0.07070965344681035	Same Family
[P09619, P10721]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Oc3c4cn[nH]c4ncn3	P09619	P10721	6.38933983691012	6.294992040666664	0.09434779624345602	Same Family
[P09619, P10721]	c1cc(ccc1c2c3c([nH]n2)-c4ccsc4C3)N	P09619	P10721	6.066057397258739	6.696156225111346	0.6300988278526072	Same Family
[P09619, P10721]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P09619	P10721	8.34008379993015	6.488678244082297	1.8514055558478537	Same Family
[P09619, P10721]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P09619	P10721	6.767003889607846	6.301029995663981	0.4659738939438647	Same Family
[P09619, P10721]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P10721	9.397940008672037	8.0	1.3979400086720375	Same Family
[P09619, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P10721	5.698970004336019	5.657577319177793	0.04139268515822536	Same Family
[P09619, P10721]	c1ccc(cc1)c2ccc(cc2)Nc3c4ccccc4c(nn3)Cc5ccncc5	P09619	P10721	5.853871964321762	5.853871964321762	0.0	Same Family
[P09619, P10721]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P10721	6.070581074285707	9.0	2.929418925714293	Same Family
[P09619, P10721]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P10721	6.494850021680094	7.853871964321762	1.359021942641668	Same Family
[P09619, P10721]	c1ccc2c(c1)c(nnc2Nc3ccc(c(c3)C(F)(F)F)Cl)Cc4ccncc4	P09619	P10721	5.3979400086720375	5.568636235841013	0.1706962271689756	Same Family
[P09619, P10721]	c1ccc2c(c1)c(nnc2Nc3ccc(c(c3)Cl)Cl)Cc4ccncc4	P09619	P10721	6.221848749616356	6.154901959985743	0.06694678963061307	Same Family
[P09619, P10721]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P09619	P10721	6.221848749616356	6.154901959985743	0.06694678963061307	Same Family
[P09619, P10721]	c1ccc2c(c1)c(nnc2Nc3cccc(c3)O)Cc4ccncc4	P09619	P10721	5.3979400086720375	5.102372908709558	0.2955670999624793	Same Family
[P09619, P10721]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P09619	P10721	6.698970004336019	6.431798275933005	0.26717172840301373	Same Family
[P09619, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P35916	4.42021640338319	5.318758762624412	0.8985423592412225	Different Family
[P09619, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P35916	5.702896349850744	5.925183559354825	0.22228720950408132	Different Family
[P09619, P35916]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P09619	P35916	6.391473966422806	8.397940008672037	2.0064660422492313	Different Family
[P09619, P35916]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P09619	P35916	7.3872161432802645	9.301029995663981	1.9138138523837167	Different Family
[P09619, P35916]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P09619	P35916	5.036212172654444	5.824875990832918	0.788663818178474	Different Family
[P09619, P35916]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P09619	P35916	4.52726570743409	6.031743128760553	1.5044774213264631	Different Family
[P09619, P35916]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P35916	7.995678626217358	8.886056647693163	0.8903780214758052	Different Family
[P09619, P35916]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P09619	P35916	8.301029995663981	8.599980364934842	0.2989503692708606	Different Family
[P09619, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P35916	6.167491087293763	8.301029995663981	2.133538908370218	Different Family
[P09619, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P35916	4.958607314841775	7.431798275933005	2.4731909610912304	Different Family
[P09619, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	P35916	4.3979400086720375	5.6020599913279625	1.204119982655925	Different Family
[P09619, P35916]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P09619	P35916	6.301029995663981	5.301029995663981	1.0	Different Family
[P09619, P35916]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35916	8.301029995663981	8.045757490560675	0.25527250510330646	Different Family
[P09619, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P35916	8.585026652029182	8.585026652029182	0.0	Different Family
[P09619, P35916]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	P35916	7.886056647693163	8.958607314841775	1.0725506671486116	Different Family
[P09619, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P09619	P35916	7.075720713938118	7.327902142064283	0.25218142812616495	Different Family
[P09619, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	P35916	4.346787486224656	4.958607314841775	0.6118198286171186	Different Family
[P09619, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P35916	5.886056647693163	5.812479279163537	0.07357736852962571	Different Family
[P09619, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P35916	5.481486060122113	5.552841968657781	0.07135590853566764	Different Family
[P09619, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P35916	5.3979400086720375	5.795880017344075	0.3979400086720375	Different Family
[P09619, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P09619	P35916	5.549750891680639	6.376750709602099	0.8269998179214602	Different Family
[P09619, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P09619	P35916	5.673664139071248	5.703334809738469	0.029670670667220733	Different Family
[P09619, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P09619	P35916	5.638272163982407	5.991399828238082	0.3531276642556751	Different Family
[P09619, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P09619	P35916	6.2441251443275085	8.221848749616356	1.9777236052888476	Different Family
[P09619, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P35916	4.991399828238082	5.494850021680094	0.5034501934420117	Different Family
[P09619, P35916]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P09619	P35916	6.318758762624412	8.744727494896694	2.425968732272281	Different Family
[P09619, P35916]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35916	6.070581074285707	7.327902142064283	1.2573210677785758	Different Family
[P09619, P35916]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35916	6.494850021680094	8.154901959985743	1.6600519383056493	Different Family
[P09619, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P35916	5.376750709602099	5.327902142064283	0.0488485675378163	Different Family
[P08069, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P08069	4.42021640338319	5.113509274827518	0.6932928714443278	Different Family
[P08069, P09619]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P08069	7.192464971931146	7.555955204081924	0.36349023215077736	Different Family
[P08069, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P08069	5.7121982700697735	6.032920265855503	0.32072199578572924	Different Family
[P08069, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P08069	6.167491087293763	4.945210726547806	1.2222803607459571	Different Family
[P08069, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P08069	4.958607314841775	4.657577319177793	0.30102999566398125	Different Family
[P08069, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P08069	5.886056647693163	6.6020599913279625	0.7160033436347994	Different Family
[P08069, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P08069	5.481486060122113	5.638272163982407	0.156786103860294	Different Family
[P08069, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P08069	5.3979400086720375	6.0	0.6020599913279625	Different Family
[P08069, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P08069	5.337242168318426	5.267606240177032	0.06963592814139385	Different Family
[P08069, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P08069	5.657577319177793	5.292429823902063	0.3651474952757301	Different Family
[P08069, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P08069	4.991399828238082	5.769551078621726	0.7781512503836439	Different Family
[P08069, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P08069	5.698970004336019	5.3979400086720375	0.30102999566398125	Different Family
[P08069, P09619]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P08069	5.376750709602099	5.3979400086720375	0.021189299069938272	Different Family
[P09619, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P36888	4.42021640338319	4.698970004336019	0.27875360095282886	Same Family
[P09619, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P36888	5.702896349850744	7.657577319177793	1.9546809693270495	Same Family
[P09619, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P09619	P36888	6.391473966422806	8.795880017344075	2.404406050921269	Same Family
[P09619, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P36888	7.192464971931146	7.0670191780768015	0.12544579385434496	Same Family
[P09619, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P36888	8.794190147018384	9.698970004336019	0.9047798573176351	Same Family
[P09619, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P09619	P36888	7.3872161432802645	8.309803919971486	0.9225877766912216	Same Family
[P09619, P36888]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P09619	P36888	5.036212172654444	6.355317024239985	1.3191048515855401	Same Family
[P09619, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P09619	P36888	4.52726570743409	6.2760335672039105	1.7487678597698206	Same Family
[P09619, P36888]	CCN(CC)CCCNc1c2c(ccs2)nc(n1)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P09619	P36888	5.236572006437063	6.0	0.7634279935629369	Same Family
[P09619, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P36888	7.995678626217358	8.886056647693163	0.8903780214758052	Same Family
[P09619, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P09619	P36888	5.96537154337468	7.698970004336019	1.733598460961339	Same Family
[P09619, P36888]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P09619	P36888	5.677367288307777	5.166852888087215	0.5105144002205622	Same Family
[P09619, P36888]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P09619	P36888	6.278601624478495	8.667561540084394	2.3889599156058994	Same Family
[P09619, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P09619	P36888	5.976747540366288	7.698970004336019	1.7222224639697306	Same Family
[P09619, P36888]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P09619	P36888	7.585026652029182	7.912928794093465	0.3279021420642829	Same Family
[P09619, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P36888	6.167491087293763	6.568636235841013	0.4011451485472497	Same Family
[P09619, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P36888	4.958607314841775	5.214670164989233	0.2560628501474582	Same Family
[P09619, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	P36888	4.3979400086720375	5.522878745280337	1.1249387366083	Same Family
[P09619, P36888]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P09619	P36888	6.301029995663981	4.443697499232712	1.857332496431269	Same Family
[P09619, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P09619	P36888	7.787812395596042	8.056505484093897	0.2686930884978551	Same Family
[P09619, P36888]	COc1ccc(cc1)NC(=O)CC(=O)Nc2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	P09619	P36888	6.752763450493236	7.779891911959945	1.0271284614667087	Same Family
[P09619, P36888]	COc1ccc2c(c1)cc([nH]2)C(=O)c3cc4ccc(cc4[nH]3)Cl	P09619	P36888	7.259637310505756	4.8239647238934324	2.4356725866123234	Same Family
[P09619, P36888]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P09619	P36888	8.812479279163536	8.67778070526608	0.134698573897456	Same Family
[P09619, P36888]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P09619	P36888	8.09151498112135	8.193820026016112	0.10230504489476289	Same Family
[P09619, P36888]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P09619	P36888	7.034798298974088	8.032452023781138	0.9976537248070505	Same Family
[P09619, P36888]	Cc1cc(cc(c1O)C)C=NNC(=O)Nc2ccc(cc2)c3nc4ccsc4c(n3)N5CCOCC5	P09619	P36888	5.154901959985743	5.638272163982407	0.48337020399666386	Same Family
[P09619, P36888]	Cc1cc2c(cc1C)nc(cn2)c3ccccc3	P09619	P36888	5.2076083105017466	5.958607314841775	0.7509990043400281	Same Family
[P09619, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P36888	7.180456064458132	8.0	0.8195439355418683	Same Family
[P09619, P36888]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P09619	P36888	6.27523275435369	6.304255724802677	0.029022970448987273	Same Family
[P09619, P36888]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P36888	4.394694953858891	4.402304814074488	0.007609860215596953	Same Family
[P09619, P36888]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P09619	P36888	8.847711655616944	8.96657624451305	0.11886458889610552	Same Family
[P09619, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P36888	8.585026652029182	8.420818753952375	0.1642078980768069	Same Family
[P09619, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P09619	P36888	6.114412643810344	6.054531414868181	0.059881228942163744	Same Family
[P09619, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P09619	P36888	7.1848974616561545	5.020087589665283	2.1648098719908715	Same Family
[P09619, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P09619	P36888	4.450996737974212	6.011485634166334	1.5604888961921217	Same Family
[P09619, P36888]	Cc1cccc2c1cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P09619	P36888	6.339134521996131	7.18837535480105	0.8492408328049184	Same Family
[P09619, P36888]	Cc1cccc2c1cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)OCCN5CCCCC5	P09619	P36888	5.920818753952375	6.406239639581768	0.48542088562939334	Same Family
[P09619, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	P36888	4.346787486224656	5.301029995663981	0.9542425094393252	Same Family
[P09619, P36888]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P09619	P36888	7.060980223551334	7.958607314841775	0.8976270912904409	Same Family
[P09619, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P36888	5.481486060122113	5.619788758288394	0.1383026981662807	Same Family
[P09619, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P36888	5.3979400086720375	5.853871964321762	0.45593195564972433	Same Family
[P09619, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P36888	5.337242168318426	5.366531544420414	0.029289376101988118	Same Family
[P09619, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P36888	5.657577319177793	5.481486060122113	0.17609125905568046	Same Family
[P09619, P36888]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P09619	P36888	8.34008379993015	8.686132779630846	0.34604897970069537	Same Family
[P09619, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P36888	4.991399828238082	5.5376020021010435	0.5462021738629614	Same Family
[P09619, P36888]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P09619	P36888	6.767003889607846	7.439713034397075	0.6727091447892288	Same Family
[P09619, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P36888	5.698970004336019	6.142667503568732	0.4436974992327132	Same Family
[P09619, P36888]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P36888	5.552841968657781	4.3851027839668655	1.167739184690915	Same Family
[P06213, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P09619	P06213	5.142667503568732	4.443697499232712	0.6989700043360196	Different Family
[P06213, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P09619	P06213	4.154901959985743	4.187086643357144	0.032184683371401235	Different Family
[P06213, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P09619	P06213	4.795880017344075	4.3872161432802645	0.40866387406381044	Different Family
[P06213, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P06213	4.42021640338319	4.568636235841013	0.1484198324578232	Different Family
[P06213, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P06213	8.794190147018384	7.286308885233723	1.5078812617846609	Different Family
[P06213, P09619]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P09619	P06213	5.173925197299174	5.200659450546418	0.026734253247243878	Different Family
[P06213, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P06213	5.7121982700697735	5.376750709602099	0.3354475604676743	Different Family
[P06213, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P06213	6.167491087293763	4.717076090663241	1.4504149966305224	Different Family
[P06213, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P06213	4.958607314841775	4.366531544420414	0.5920757704213608	Different Family
[P06213, P09619]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	P06213	4.346787486224656	4.327902142064283	0.01888534416037313	Different Family
[P06213, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P06213	5.886056647693163	6.468521082957745	0.5824644352645816	Different Family
[P06213, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P06213	5.481486060122113	5.5376020021010435	0.05611594197893055	Different Family
[P06213, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P06213	5.3979400086720375	5.853871964321762	0.45593195564972433	Different Family
[P06213, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P06213	5.337242168318426	5.221848749616356	0.11539341870206954	Different Family
[P06213, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P06213	5.657577319177793	5.275724130399211	0.38185318877858254	Different Family
[P06213, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P06213	4.991399828238082	5.356547323513812	0.3651474952757301	Different Family
[P06213, P09619]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P09619	P06213	4.552841968657781	3.8239087409443187	0.7289332277134619	Different Family
[P06213, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P06213	5.698970004336019	5.0655015487564325	0.6334684555795862	Different Family
[P06213, P09619]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P06213	5.376750709602099	5.585026652029182	0.20827594242708258	Different Family
[P09619, P16234]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P16234	5.702896349850744	6.431798275933005	0.7289019260822611	Same Family
[P09619, P16234]	CC(C)c1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OC)OC	P09619	P16234	7.698970004336019	7.045757490560675	0.653212513775344	Same Family
[P09619, P16234]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P16234	7.192464971931146	6.39577394691553	0.7966910250156163	Same Family
[P09619, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P16234	8.794190147018384	9.221848749616356	0.4276586025979725	Same Family
[P09619, P16234]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P09619	P16234	7.3872161432802645	9.619788758288394	2.232572615008129	Same Family
[P09619, P16234]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P09619	P16234	4.52726570743409	6.7035786584344494	2.1763129510003596	Same Family
[P09619, P16234]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P09619	P16234	5.96537154337468	6.172630726946175	0.20725918357149542	Same Family
[P09619, P16234]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P09619	P16234	5.677367288307777	5.444180316938809	0.23318697136896827	Same Family
[P09619, P16234]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P09619	P16234	5.976747540366288	5.892790030352131	0.08395751001415697	Same Family
[P09619, P16234]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P09619	P16234	8.3767507096021	7.346787486224656	1.0299632233774432	Same Family
[P09619, P16234]	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)C(=O)Nc4ccc(cc4)Br	P09619	P16234	6.568636235841013	6.1487416512809245	0.41989458456008855	Same Family
[P09619, P16234]	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)C(=O)Nc4ccc(cc4)C#N	P09619	P16234	6.346787486224656	6.113509274827518	0.23327821139713834	Same Family
[P09619, P16234]	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)C(=O)Nc4ccc(cc4)Oc5ccccc5	P09619	P16234	6.886056647693163	7.301029995663981	0.4149733479708182	Same Family
[P09619, P16234]	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)C(=O)Nc4ccc(cc4)[N+](=O)[O-]	P09619	P16234	6.619788758288394	6.050609993355088	0.569178764933306	Same Family
[P09619, P16234]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P09619	P16234	6.64994590642097	6.9714287473074625	0.3214828408864925	Same Family
[P09619, P16234]	Cc1cc([nH]c1C=C2c3cc(ccc3NC2=O)C(=O)NCCCSC)C	P09619	P16234	8.096910013008056	7.928117992693875	0.16879202031418128	Same Family
[P09619, P16234]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P16234	7.853871964321762	7.920818753952375	0.06694678963061307	Same Family
[P09619, P16234]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P16234	8.585026652029182	8.886056647693163	0.30102999566398125	Same Family
[P09619, P16234]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	P16234	7.886056647693163	8.366531544420413	0.48047489672724986	Same Family
[P09619, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P09619	P16234	6.114412643810344	8.086186147616283	1.971773503805939	Same Family
[P09619, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P09619	P16234	7.1848974616561545	7.1487416512809245	0.03615581037522997	Same Family
[P09619, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P09619	P16234	4.450996737974212	7.076393356982541	2.6253966190083284	Same Family
[P09619, P16234]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P09619	P16234	7.075720713938118	7.1487416512809245	0.07302093734280657	Same Family
[P09619, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P16234	7.552841968657781	8.00436480540245	0.45152283674466887	Same Family
[P09619, P16234]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P09619	P16234	6.732828271596986	5.9255492810454085	0.8072789905515778	Same Family
[P09619, P16234]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P09619	P16234	6.195860567664649	6.391473966422806	0.19561339875815698	Same Family
[P09619, P16234]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P09619	P16234	7.060980223551334	8.142667503568731	1.0816872800173973	Same Family
[P09619, P16234]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Oc3c4cn[nH]c4ncn3	P09619	P16234	6.38933983691012	6.651695136951839	0.2623553000417189	Same Family
[P09619, P16234]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P09619	P16234	6.318758762624412	5.494850021680094	0.8239087409443187	Same Family
[P09619, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P16234	9.397940008672037	8.920818753952375	0.4771212547196626	Same Family
[P09619, P16234]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P09619	P16234	8.337242168318426	6.26074419673149	2.076497971586936	Same Family
[P00533, P09619]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P09619	P00533	3.479516467259208	4.701146923590294	1.2216304563310856	Different Family
[P00533, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P09619	P00533	5.142667503568732	7.107905397309519	1.9652378937407873	Different Family
[P00533, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P09619	P00533	4.154901959985743	5.920818753952375	1.7659167939666318	Different Family
[P00533, P09619]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P09619	P00533	4.795880017344075	5.886056647693163	1.090176630349088	Different Family
[P00533, P09619]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4cccc(c4)OC	P09619	P00533	3.70730099695607	3.8843894883257004	0.17708849136963023	Different Family
[P00533, P09619]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4ccccc4	P09619	P00533	4.151195298948196	3.9404365820987324	0.210758716849464	Different Family
[P00533, P09619]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4ccc(c(c4)Br)F	P09619	P00533	4.047207556955908	5.267606240177032	1.2203986832211235	Different Family
[P00533, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P00533	4.42021640338319	5.045757490560675	0.6255410871774849	Different Family
[P00533, P09619]	CC(C)C(Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC	P09619	P00533	3.9281179926938745	4.739928612014925	0.8118106193210504	Different Family
[P00533, P09619]	CC(C)c1ccc(cc1)Nc2c-3c(nc(n2)N)Cc4c3cccc4	P09619	P00533	5.107905397309519	4.370590400897281	0.7373149964122385	Different Family
[P00533, P09619]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P00533	3.7572101905213233	4.341035157335565	0.5838249668142415	Different Family
[P00533, P09619]	CC(C)c1ccccc1Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P00533	4.366531544420414	4.015922966097169	0.35060857832324466	Different Family
[P00533, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P00533	8.794190147018384	6.998856140607032	1.7953340064113519	Different Family
[P00533, P09619]	CCCC(=Cc1coc2c1c([nH]c(=N)n2)N)c3ccccc3OC	P09619	P00533	4.054531414868181	3.795066477645855	0.25946493722232544	Different Family
[P00533, P09619]	CCCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P00533	7.247951552180561	6.468393368067278	0.7795581841132835	Different Family
[P00533, P09619]	CCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P00533	7.52432881167557	7.134896025358872	0.3894327863166982	Different Family
[P00533, P09619]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)Br)C	P09619	P00533	8.301029995663981	5.0	3.3010299956639813	Different Family
[P00533, P09619]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P00533	4.798602875679548	5.292429823902063	0.49382694822251505	Different Family
[P00533, P09619]	CCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P00533	7.567030709125595	7.150580586203101	0.4164501229224937	Different Family
[P00533, P09619]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P09619	P00533	5.677367288307777	9.698970004336019	4.021602716028242	Different Family
[P00533, P09619]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P00533	4.991399828238082	4.866461091629782	0.1249387366082999	Different Family
[P00533, P09619]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P00533	5.119186407719209	4.508638306165727	0.6105481015534817	Different Family
[P00533, P09619]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P09619	P00533	5.173925197299174	5.00436480540245	0.16956039189672367	Different Family
[P00533, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P00533	5.7121982700697735	4.6020599913279625	1.110138278741811	Different Family
[P00533, P09619]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P09619	P00533	5.060480747381382	5.045757490560675	0.014723256820706965	Different Family
[P00533, P09619]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P09619	P00533	5.259637310505756	5.552841968657781	0.2932046581520247	Different Family
[P00533, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P00533	6.167491087293763	4.645365019512084	1.522126067781679	Different Family
[P00533, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P00533	4.958607314841775	4.638272163982407	0.3203351508593677	Different Family
[P00533, P09619]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P09619	P00533	3.8359447081065485	3.9480760839538935	0.112131375847345	Different Family
[P00533, P09619]	COc1cccc(c1)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)N	P09619	P00533	4.296708621881338	4.081445469449727	0.21526315243161154	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(c(c3)OC)OC	P09619	P00533	7.179798540514359	7.044312249686494	0.13548629082786512	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC	P09619	P00533	7.650810519079714	7.125407895065626	0.5254026240140881	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC(C)C	P09619	P00533	7.075720713938118	6.990549104201306	0.08517160973681204	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3OC)OC	P09619	P00533	7.393618634889395	6.789681480173768	0.6039371547156271	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)CCO4	P09619	P00533	7.609064892896621	6.6451235774837665	0.9639413154128542	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)OCO4	P09619	P00533	7.300162274132754	6.525492360883025	0.7746699132497294	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N(c3ccc(cc3)OC)C(C)C	P09619	P00533	7.636388020107856	7.073657553374345	0.5627304667335107	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N3CCCc4c3ccc(c4)OC	P09619	P00533	7.235077015350112	8.468521082957745	1.2334440676076328	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)N3CCc4c3ccc(c4)OC	P09619	P00533	7.135488918941608	6.986320302708807	0.1491686162328003	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)C(F)(F)F	P09619	P00533	7.179798540514359	6.913284336055118	0.26651420445924145	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)OC	P09619	P00533	7.197226274708024	7.374687549038327	0.17746127433030257	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)Nc3cccc(c3)C#C	P09619	P00533	7.790484985457369	7.522878745280337	0.26760624017703183	Different Family
[P00533, P09619]	Cc1cc2c(nc(nc2o1)C)Nc3cccc4c3cc[nH]4	P09619	P00533	7.548213564475709	7.044793462458058	0.5034201020176514	Different Family
[P00533, P09619]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P00533	4.394694953858891	4.982549270489463	0.5878543166305725	Different Family
[P00533, P09619]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P09619	P00533	8.847711655616944	7.0455162828444475	1.8021953727724966	Different Family
[P00533, P09619]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P00533	8.585026652029182	6.133122185662502	2.4519044663666802	Different Family
[P00533, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P00533	7.552841968657781	6.7447274948966935	0.808114473761087	Different Family
[P00533, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P00533	8.221848749616356	6.015472686656207	2.2063760629601488	Different Family
[P00533, P09619]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P09619	P00533	3.7969671129852895	3.9457700901366026	0.14880297715131308	Different Family
[P00533, P09619]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P09619	P00533	5.552841968657781	5.74206307814416	0.18922110948637982	Different Family
[P00533, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P00533	5.886056647693163	6.161150909262744	0.2750942615695813	Different Family
[P00533, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P00533	5.481486060122113	5.886056647693163	0.40457058757105013	Different Family
[P00533, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P00533	5.3979400086720375	6.221848749616356	0.8239087409443187	Different Family
[P00533, P09619]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P09619	P00533	4.609064892896621	5.6020599913279625	0.9929950984313418	Different Family
[P00533, P09619]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P09619	P00533	5.549750891680639	5.403402904373539	0.14634798730709964	Different Family
[P00533, P09619]	c1cc(cc(c1)Br)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P00533	4.769551078621726	6.698970004336019	1.9294189257142929	Different Family
[P00533, P09619]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P00533	3.7373116556983037	3.791558643561433	0.05424698786312909	Different Family
[P00533, P09619]	c1cc(cc(c1)Nc2c3cc([nH]c3ncn2)Cc4ccc(cc4Cl)Cl)C(F)(F)F	P09619	P00533	3.958212681028248	4.480172006224281	0.521959325196033	Different Family
[P00533, P09619]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P09619	P00533	8.34008379993015	6.23495017809705	2.1051336218331	Different Family
[P00533, P09619]	c1cc2c(c(c1)Cl)c3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N	P09619	P00533	3.70730099695607	4.196542884351586	0.48924188739551555	Different Family
[P00533, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P00533	4.991399828238082	5.823908740944319	0.8325089127062366	Different Family
[P00533, P09619]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P09619	P00533	4.552841968657781	7.481486060122113	2.9286440914643324	Different Family
[P00533, P09619]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P09619	P00533	6.318758762624412	5.585026652029182	0.7337321105952306	Different Family
[P00533, P09619]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P00533	5.552841968657781	4.821886747685368	0.7309552209724126	Different Family
[P00533, P09619]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P09619	P00533	7.0	7.376750709602099	0.3767507096020992	Different Family
[P00533, P09619]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P09619	P00533	6.614393726401688	8.698970004336019	2.084576277934331	Different Family
[P00533, P09619]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4)Cl	P09619	P00533	6.096910013008056	4.585026652029182	1.5118833609788744	Different Family
[P00533, P09619]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4)F	P09619	P00533	5.229147988357856	3.5589335933607367	1.6702143949971195	Different Family
[P00533, P09619]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4F)Cl	P09619	P00533	5.443697499232713	4.931814138253839	0.5118833609788744	Different Family
[P00533, P09619]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4cccc(c4)Br	P09619	P00533	3.898596649444669	4.617982957425132	0.7193863079804625	Different Family
[P00533, P09619]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P09619	P00533	6.221848749616356	6.339419087572701	0.11757033795634442	Different Family
[P00533, P09619]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P00533	5.376750709602099	5.337242168318426	0.03950854128367354	Different Family
[P00533, P09619]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P09619	P00533	5.049635145623877	4.898940645091884	0.1506945005319924	Different Family
[P00533, P09619]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4cccc(c4)Br)N	P09619	P00533	4.872895201635193	6.522878745280337	1.6499835436451447	Different Family
[P07949, P09619]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P07949	5.702896349850744	6.006123085058789	0.3032267352080451	Different Family
[P07949, P09619]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P07949	7.192464971931146	8.389423339022647	1.1969583670915007	Different Family
[P07949, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P07949	8.794190147018384	8.497903821870143	0.29628632514824105	Different Family
[P07949, P09619]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P07949	7.995678626217358	8.886056647693163	0.8903780214758052	Different Family
[P07949, P09619]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P09619	P07949	5.96537154337468	8.154901959985743	2.1895304166110634	Different Family
[P07949, P09619]	CCOC(=O)c1c(c([nH]c1C)C=C2c3ccccc3NC2=O)C	P09619	P07949	5.3979400086720375	6.119186407719209	0.7212463990471711	Different Family
[P07949, P09619]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P09619	P07949	5.976747540366288	9.0	3.023252459633712	Different Family
[P07949, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P07949	5.7121982700697735	5.080921907623926	0.6312763624458473	Different Family
[P07949, P09619]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P09619	P07949	6.64994590642097	6.777023550106609	0.1270776436856389	Different Family
[P07949, P09619]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P07949	7.180456064458132	5.721246399047171	1.4592096654109605	Different Family
[P07949, P09619]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P07949	8.585026652029182	9.698970004336019	1.113943352306837	Different Family
[P07949, P09619]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	P07949	7.886056647693163	7.7447274948966935	0.14132915279646951	Different Family
[P07949, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P07949	7.552841968657781	6.363512103646634	1.1893298650111461	Different Family
[P07949, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P07949	5.337242168318426	5.221848749616356	0.11539341870206954	Different Family
[P07949, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P07949	5.657577319177793	5.431798275933005	0.22577904324478837	Different Family
[P07949, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P07949	5.698970004336019	5.309803919971486	0.3891660843645326	Different Family
[P07949, P09619]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P09619	P07949	8.337242168318426	7.694648630553377	0.6425935377650491	Different Family
[P07947, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P07947	8.794190147018384	8.356547323513812	0.4376428235045715	Different Family
[P07947, P09619]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P09619	P07947	7.823908740944319	7.987162775294828	0.16325403435050934	Different Family
[P07947, P09619]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5cc(ccc5Cl)O	P09619	P07947	8.958607314841775	9.301029995663981	0.3424226808222066	Different Family
[P07947, P09619]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)S(=O)(=O)NCCN4CCCC4)c5cc(ccc5Cl)O	P09619	P07947	8.769551078621726	8.892790030352131	0.12323895173040533	Different Family
[P07947, P09619]	Cc1cc(cc2c1nc(nn2)Nc3cccc(c3)C(=O)NCCN(C)C)c4cc(ccc4Cl)O	P09619	P07947	8.275724130399212	8.906578314837764	0.6308541844385527	Different Family
[P07947, P09619]	Cc1cc2c(cc1c3cc(ccc3Cl)O)nnc(n2)Nc4ccc(cc4)OCCN5CCCC5	P09619	P07947	8.244125144327509	9.154901959985743	0.9107768156582345	Different Family
[P07947, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P07947	7.552841968657781	9.301029995663981	1.7481880270062007	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCC5CCCC5)C)C	P09619	P07947	8.229147988357855	8.920818753952375	0.6916707655945196	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P07947	8.221848749616356	9.0	0.7781512503836439	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P09619	P07947	8.031517051446064	8.508638306165727	0.4771212547196626	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(o4)C(=O)NCCN5CCCC5)C)C	P09619	P07947	6.931814138253839	7.73754891026957	0.8057347720157315	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4cccc(c4)S(=O)(=O)N)C)C	P09619	P07947	7.787812395596042	7.787812395596042	0.0	Different Family
[P07947, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4nc(cs4)C(=O)NCCN5CCCC5)C)C	P09619	P07947	7.221848749616356	8.136677139879543	0.9148283902631871	Different Family
[P09619, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	Q96GD4	4.42021640338319	4.366531544420414	0.05368485896277608	Different Group
[P09619, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	Q96GD4	8.794190147018384	8.564089641766962	0.23010050525142134	Different Group
[P09619, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	Q96GD4	6.167491087293763	4.685805534974844	1.4816855523189192	Different Group
[P09619, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	Q96GD4	4.958607314841775	4.337242168318426	0.621365146523349	Different Group
[P09619, Q96GD4]	COc1ccc(cc1)NC(=O)CC(=O)Nc2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	P09619	Q96GD4	6.752763450493236	7.528708288941061	0.7759448384478249	Different Group
[P09619, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P09619	Q96GD4	8.812479279163536	7.031517051446065	1.7809622277174713	Different Group
[P09619, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P09619	Q96GD4	8.09151498112135	8.229147988357855	0.13763300723650573	Different Group
[P09619, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	P09619	Q96GD4	7.221848749616356	7.455931955649724	0.23408320603336819	Different Group
[P09619, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	Q96GD4	4.346787486224656	5.008773924307505	0.6619864380828488	Different Group
[P09619, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	Q96GD4	5.886056647693163	5.6020599913279625	0.28399665636520055	Different Group
[P09619, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P09619	Q96GD4	7.060980223551334	7.6020599913279625	0.5410797677766288	Different Group
[P09619, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	Q96GD4	5.481486060122113	6.301029995663981	0.8195439355418683	Different Group
[P09619, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	Q96GD4	5.3979400086720375	5.638272163982407	0.24033215531036944	Different Group
[P09619, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	Q96GD4	4.991399828238082	5.585026652029182	0.5936268237910998	Different Group
[P09619, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	Q96GD4	9.397940008672037	8.638272163982407	0.7596678446896306	Different Group
[P06239, P09619]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P09619	P06239	9.0	8.522878745280337	0.4771212547196626	Different Family
[P06239, P09619]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P09619	P06239	8.0	7.187086643357144	0.8129133566428557	Different Family
[P06239, P09619]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P09619	P06239	9.0	5.698970004336019	3.3010299956639813	Different Family
[P06239, P09619]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P09619	P06239	6.508638306165727	6.698970004336019	0.19033169817029183	Different Family
[P06239, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P06239	5.7121982700697735	5.958607314841775	0.2464090447720011	Different Family
[P06239, P09619]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P09619	P06239	8.3767507096021	7.0	1.3767507096020992	Different Family
[P06239, P09619]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P06239	7.180456064458132	3.3010299956639813	3.8794260687941504	Different Family
[P06239, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P09619	P06239	6.114412643810344	5.839231438138872	0.27518120567147264	Different Family
[P06239, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P09619	P06239	7.1848974616561545	6.9657727392294495	0.219124722426705	Different Family
[P06239, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P09619	P06239	4.450996737974212	4.350470434052181	0.10052630392203099	Different Family
[P06239, P09619]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P06239	7.552841968657781	9.397940008672037	1.845098040014257	Different Family
[P06239, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P06239	8.221848749616356	7.886056647693163	0.3357921019231931	Different Family
[P06239, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P06239	5.337242168318426	5.2839966563652006	0.05324551195322513	Different Family
[P06239, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P06239	5.657577319177793	5.522878745280337	0.134698573897456	Different Family
[P06239, P09619]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P06239	9.397940008672037	8.481486060122112	0.9164539485499255	Different Family
[P06239, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P06239	5.698970004336019	5.698970004336019	0.0	Different Family
[P06239, P09619]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P09619	P06239	5.301029995663981	5.638272163982407	0.3372421683184257	Different Family
[P09619, P12931]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P09619	P12931	9.0	8.698970004336019	0.30102999566398125	Different Family
[P09619, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P12931	4.42021640338319	5.356547323513812	0.9363309201306222	Different Family
[P09619, P12931]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P12931	7.192464971931146	7.122628654130226	0.06983631780092026	Different Family
[P09619, P12931]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P09619	P12931	5.677367288307777	5.7617029321246065	0.08433564381682945	Different Family
[P09619, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P12931	5.7121982700697735	5.2403321553103694	0.4718661147594041	Different Family
[P09619, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P12931	6.167491087293763	4.68837535480105	1.4791157324927138	Different Family
[P09619, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P12931	4.958607314841775	4.853871964321762	0.10473535052001282	Different Family
[P09619, P12931]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P09619	P12931	8.3767507096021	6.732828271596986	1.643922438005113	Different Family
[P09619, P12931]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P12931	8.301029995663981	5.262012673666569	3.039017321997412	Different Family
[P09619, P12931]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P09619	P12931	7.823908740944319	7.958607314841775	0.134698573897456	Different Family
[P09619, P12931]	Cc1cc(ccc1c2cc3c(cc2C)nc(nn3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)F	P09619	P12931	7.132532512140949	7.698970004336019	0.5664374921950701	Different Family
[P09619, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P12931	7.180456064458132	4.301029995663981	2.8794260687941504	Different Family
[P09619, P12931]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P12931	8.585026652029182	8.397940008672037	0.1870866433571443	Different Family
[P09619, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P12931	7.552841968657781	9.41195437047216	1.8591124018143788	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P12931	8.221848749616356	8.174360993000928	0.04748775661542837	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P09619	P12931	8.031517051446064	8.045757490560675	0.014240439114610481	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4cccc(c4)OCCN5CCN(CC5)C)C)C	P09619	P12931	7.1605219526258015	7.3979400086720375	0.237418056046236	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4cccc(c4)S(=O)(=O)N)C)C	P09619	P12931	7.787812395596042	6.853871964321762	0.9339404312742801	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccccc4)C)C	P09619	P12931	6.2020403562628035	6.3872161432802645	0.18517578701746107	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc3c(c(c2)NC(=O)C)nc(nn3)Nc4ccc(cc4)OCCN5CCCC5)C	P09619	P12931	7.939302159646388	7.853871964321762	0.08543019532462637	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc3c(c(c2)NS(=O)(=O)C)nc(nn3)Nc4ccc(cc4)OCCN5CCCC5)C	P09619	P12931	7.804100347590766	7.6777807052660805	0.1263196423246855	Different Family
[P09619, P12931]	Cc1cccc(c1c2cc3c(cc2C)nc(nn3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C	P09619	P12931	7.317854923626168	7.958607314841775	0.6407523912156066	Different Family
[P09619, P12931]	Cc1ccccc1c2cc3c(cc2C)nc(nn3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5	P09619	P12931	7.614393726401688	8.0	0.3856062735983121	Different Family
[P09619, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P12931	5.886056647693163	6.096910013008056	0.21085336531489318	Different Family
[P09619, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P12931	5.481486060122113	5.721246399047171	0.23976033892505821	Different Family
[P09619, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P12931	5.3979400086720375	6.154901959985743	0.7569619513137056	Different Family
[P09619, P12931]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P09619	P12931	5.549750891680639	5.11690664142431	0.4328442502563288	Different Family
[P09619, P12931]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P09619	P12931	5.638272163982407	5.0726296369609765	0.5656425270214305	Different Family
[P09619, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P12931	5.337242168318426	5.337242168318426	0.0	Different Family
[P09619, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P12931	5.657577319177793	5.6020599913279625	0.05551732784983088	Different Family
[P09619, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P12931	4.991399828238082	5.698970004336019	0.7075701760979367	Different Family
[P09619, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P12931	9.397940008672037	8.102372908709558	1.2955670999624793	Different Family
[P09619, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P12931	5.698970004336019	5.337242168318426	0.36172783601759306	Different Family
[P09619, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P09619	P12931	7.0	6.192464971931146	0.8075350280688536	Different Family
[P09619, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P09619	P12931	6.614393726401688	7.494850021680094	0.8804562952784059	Different Family
[P09619, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P12931	5.376750709602099	5.42021640338319	0.043465693781090664	Different Family
[P09619, P35968]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P09619	P35968	3.479516467259208	4.360513510731414	0.8809970434722056	Different Family
[P09619, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4ccc(cc4F)Cl	P09619	P35968	3.767512133647014	4.050122295963125	0.28261016231611125	Different Family
[P09619, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4cccc(c4)OC	P09619	P35968	3.70730099695607	4.3872161432802645	0.6799151463241944	Different Family
[P09619, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4ccccc4	P09619	P35968	4.151195298948196	3.7166987712964503	0.43449652765174607	Different Family
[P09619, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C#C	P09619	P35968	3.3664305574459084	3.9010103605988227	0.5345798031529143	Different Family
[P09619, P35968]	CC(C)(C)C1CCC(CC1)NC(=O)c2cccc(c2)N3CCc4c(cnc(n4)N)C3	P09619	P35968	6.609064892896621	6.512861624522814	0.09620326837380677	Different Family
[P09619, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P35968	4.42021640338319	5.356547323513812	0.9363309201306222	Different Family
[P09619, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P09619	P35968	5.702896349850744	5.609418121449565	0.09347822840117903	Different Family
[P09619, P35968]	CC(C)C(Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC	P09619	P35968	3.9281179926938745	5.301029995663981	1.3729120029701067	Different Family
[P09619, P35968]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P09619	P35968	6.391473966422806	8.096910013008056	1.70543604658525	Different Family
[P09619, P35968]	CC(C)c1ccc(cc1)Nc2c-3c(nc(n2)N)Cc4c3cccc4	P09619	P35968	5.107905397309519	4.958607314841775	0.14929808246774456	Different Family
[P09619, P35968]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P35968	3.7572101905213233	5.853871964321762	2.0966617738004385	Different Family
[P09619, P35968]	CC(C)c1cccc(c1)NC(=O)c2cccc(c2)N3CCc4c(cnc(n4)N)C3	P09619	P35968	7.267606240177032	7.6777807052660805	0.41017446508904865	Different Family
[P09619, P35968]	CC(C)c1cccc(c1)NC(=O)c2cccc(c2)N3CCc4c(cncc4C(=O)OC)C3	P09619	P35968	7.823908740944319	7.920818753952375	0.09691001300805624	Different Family
[P09619, P35968]	CC(C)c1cccc(c1)NC(=O)c2cccc(c2)N3CCc4ccncc4C3	P09619	P35968	7.3979400086720375	7.4089353929735005	0.010995384301462963	Different Family
[P09619, P35968]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P09619	P35968	6.958607314841775	6.096910013008056	0.8616973018337184	Different Family
[P09619, P35968]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P09619	P35968	6.376750709602099	5.920818753952375	0.45593195564972433	Different Family
[P09619, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P09619	P35968	7.192464971931146	6.982966660701219	0.20949831122992713	Different Family
[P09619, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P09619	P35968	7.3872161432802645	9.309803919971486	1.9225877766912216	Different Family
[P09619, P35968]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P09619	P35968	5.036212172654444	5.8191360819912035	0.782923909336759	Different Family
[P09619, P35968]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P09619	P35968	4.52726570743409	6.38812227317138	1.86085656573729	Different Family
[P09619, P35968]	CCC1CCN(C(C1)Nc2c3ccccc3[nH]c(=O)c2c4[nH]c5ccccc5n4)C	P09619	P35968	9.698970004336019	6.769551078621726	2.929418925714293	Different Family
[P09619, P35968]	CCCC(=Cc1coc2c1c([nH]c(=N)n2)N)c3ccccc3OC	P09619	P35968	4.054531414868181	4.749579997691106	0.6950485828229258	Different Family
[P09619, P35968]	CCCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P35968	7.247951552180561	7.46344155742847	0.21549000524790873	Different Family
[P09619, P35968]	CCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P35968	7.52432881167557	8.070581074285707	0.5462522626101372	Different Family
[P09619, P35968]	CCN(CC)CC(CNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C)O	P09619	P35968	7.714442690992226	8.602059991327963	0.8876173003357364	Different Family
[P09619, P35968]	CCN(CC)CCCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P35968	7.671620396561262	8.568636235841012	0.8970158392797503	Different Family
[P09619, P35968]	CCN(CC)CCN1CCCCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)F)C)C1=O	P09619	P35968	7.886056647693163	6.809171758707107	1.076884888986056	Different Family
[P09619, P35968]	CCN(CC)CCN1CCCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)F)C)C1=O	P09619	P35968	8.0	7.449814727441218	0.5501852725587817	Different Family
[P09619, P35968]	CCN(CC)CCN1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)Br)C)C1=O	P09619	P35968	8.522878745280337	7.309894379144197	1.2129843661361406	Different Family
[P09619, P35968]	CCN(CC)CCN1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)F)C)C1=O	P09619	P35968	8.397940008672037	8.5	0.10205999132796251	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4c(cccc4F)NC3=O)C	P09619	P35968	7.20690839982342	7.823908740944319	0.6170003411208986	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Br)C	P09619	P35968	8.119186407719209	8.4089353929735	0.2897489852542918	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C(=O)OC)C	P09619	P35968	7.153044674980176	6.776763726897002	0.37628094808317414	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C)C	P09619	P35968	7.806875401645538	8.638272163982407	0.831396762336869	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Cl)C	P09619	P35968	7.91721462968355	8.585026652029182	0.6678120223456316	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P09619	P35968	7.995678626217358	8.638272163982407	0.6425935377650491	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)OC)C	P09619	P35968	6.993962045002683	7.609064892896621	0.6151028478939375	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)S(=O)(=O)N(CC)CC)C	P09619	P35968	6.402633949733972	6.481091426308586	0.07845747657461377	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C	P09619	P35968	7.876148359032914	7.590066876668706	0.2860814823642084	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cccc(c4NC3=O)F)C	P09619	P35968	6.5845258318907645	6.949233688766958	0.3647078568761932	Different Family
[P09619, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4ccccc4NC3=O)C	P09619	P35968	7.046240308266771	8.0268721464003	0.9806318381335295	Different Family
[P09619, P35968]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P35968	4.798602875679548	4.8996294548824375	0.10102657920288927	Different Family
[P09619, P35968]	CCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P09619	P35968	7.567030709125595	7.97469413473523	0.407663425609635	Different Family
[P09619, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P09619	P35968	5.96537154337468	7.619788758288394	1.654417214913714	Different Family
[P09619, P35968]	CCOc1ccc(cc1)N(C)c2c3cc(oc3nc(n2)C)C	P09619	P35968	6.87942606879415	6.916139199133427	0.03671313033927692	Different Family
[P09619, P35968]	CN(C)C1CCN(C1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P35968	8.397940008672037	7.221848749616356	1.1760912590556813	Different Family
[P09619, P35968]	CN(C)CC(=O)N(C)c1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P35968	9.0	7.5376020021010435	1.4623979978989565	Different Family
[P09619, P35968]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P35968	4.991399828238082	4.809668301829708	0.18173152640837387	Different Family
[P09619, P35968]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P35968	5.119186407719209	4.886056647693163	0.23312976002604557	Different Family
[P09619, P35968]	CN(C)c1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P09619	P35968	7.154901959985743	6.0655015487564325	1.0894004112293105	Different Family
[P09619, P35968]	CN(c1cccc2c1cn[nH]2)c3ccnc(n3)Nc4cc(cc(c4)N5CCOCC5)N6CCOCC6	P09619	P35968	7.236572006437063	6.619788758288394	0.6167832481486695	Different Family
[P09619, P35968]	CN1CCCC(C1)Oc2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P35968	10.0	8.301029995663981	1.6989700043360187	Different Family
[P09619, P35968]	CN1CCCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P35968	8.301029995663981	7.180456064458132	1.1205739312058496	Different Family
[P09619, P35968]	CN1CCN(CC1)C(=O)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P35968	9.045757490560675	7.585026652029182	1.460730838531493	Different Family
[P09619, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P09619	P35968	6.278601624478495	6.265520210574422	0.01308141390407247	Different Family
[P09619, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P09619	P35968	5.976747540366288	7.6777807052660805	1.7010331648997923	Different Family
[P09619, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P35968	8.698970004336019	7.568636235841013	1.1303337684950057	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P09619	P35968	8.301029995663981	7.187086643357144	1.113943352306837	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P35968	6.886056647693163	5.187086643357144	1.6989700043360187	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cc(cc5F)F)[nH]c4=O)N	P09619	P35968	8.301029995663981	6.886056647693163	1.4149733479708182	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cccc5Cl)[nH]c4=O)N	P09619	P35968	9.522878745280337	7.853871964321762	1.6690067809585756	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)F)F)N	P09619	P35968	8.522878745280337	6.721246399047171	1.8016323462331663	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)N(C)C)F)N	P09619	P35968	7.522878745280337	5.275724130399211	2.2471546148811266	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)C(=O)NCc6ccccc6)N	P09619	P35968	10.0	7.301029995663981	2.6989700043360187	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)Cl)N	P09619	P35968	8.096910013008056	7.366531544420414	0.7303784685876424	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)F)N	P09619	P35968	9.0	7.107905397309519	1.8920946026904808	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N(C)C)N	P09619	P35968	8.154901959985743	6.795880017344075	1.359021942641668	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N)N	P09619	P35968	8.154901959985743	7.721246399047171	0.43365556093857194	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NC(=O)c6ccccc6)N	P09619	P35968	7.4089353929735005	6.008773924307505	1.4001614686659956	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NCc6ccccc6)N	P09619	P35968	9.221848749616356	7.6777807052660805	1.5440680443502757	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccc(cc5[nH]c4=O)F)N	P09619	P35968	9.397940008672037	7.853871964321762	1.5440680443502757	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cccc(c5[nH]c4=O)F)N	P09619	P35968	7.853871964321762	6.251811972993799	1.6020599913279625	Different Family
[P09619, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P35968	8.698970004336019	7.376750709602099	1.3222192947339195	Different Family
[P09619, P35968]	CN1CCN(CC1)c2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P35968	9.522878745280337	7.769551078621726	1.7533276666586115	Different Family
[P09619, P35968]	CNc1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P09619	P35968	7.522878745280337	6.657577319177793	0.865301426102544	Different Family
[P09619, P35968]	CNc1ccc2c(c1)[nH]c(=O)c(c2N)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C	P09619	P35968	8.045757490560675	6.0	2.045757490560675	Different Family
[P09619, P35968]	CNc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P09619	P35968	8.698970004336019	7.275724130399211	1.423245873936808	Different Family
[P09619, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P35968	5.7121982700697735	5.107905397309519	0.6042928727602543	Different Family
[P09619, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P09619	P35968	5.060480747381382	5.259637310505756	0.19915656312437413	Different Family
[P09619, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P09619	P35968	5.259637310505756	5.337242168318426	0.07760485781266979	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	P35968	4.958607314841775	7.508638306165727	2.5500309913239523	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	P35968	4.3979400086720375	5.376750709602099	0.9788107009300617	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P09619	P35968	5.7447274948966935	4.590066876668706	1.1546606182279877	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cc(cc4)O	P09619	P35968	6.522878745280337	6.0	0.5228787452803374	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P09619	P35968	6.301029995663981	5.638272163982407	0.6627578316815743	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3ccc(cc3)O	P09619	P35968	7.0	5.657577319177793	1.3424226808222066	Different Family
[P09619, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3cccc(c3)Cl	P09619	P35968	6.096910013008056	4.251811972993799	1.845098040014257	Different Family
[P09619, P35968]	COc1cc(ccc1Cl)Nc2c3ccccc3c(nn2)Cc4ccncc4	P09619	P35968	5.698970004336019	6.853871964321762	1.154901959985743	Different Family
[P09619, P35968]	COc1cc(ccc1O)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P09619	P35968	7.698970004336019	6.698970004336019	1.0	Different Family
[P09619, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35968	8.301029995663981	8.221848749616356	0.07918124604762511	Different Family
[P09619, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P09619	P35968	7.787812395596042	7.184289460211037	0.6035229353850049	Different Family
[P09619, P35968]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N)OC	P09619	P35968	4.3535962737769305	4.246416941107094	0.10717933266983692	Different Family
[P09619, P35968]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P09619	P35968	3.8359447081065485	7.0	3.1640552918934515	Different Family
[P09619, P35968]	COc1cccc(c1)Nc2c-3c(nc(n2)N)Cc4c3cccc4	P09619	P35968	4.1220530483708115	4.366531544420414	0.24447849604960226	Different Family
[P09619, P35968]	COc1cccc(c1)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)N	P09619	P35968	4.296708621881338	4.154281982033341	0.1424266398479972	Different Family
[P09619, P35968]	COc1cccc(c1)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P09619	P35968	5.853871964321762	4.638272163982407	1.2155998003393549	Different Family
[P09619, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P09619	P35968	6.64994590642097	9.301029995663981	2.651084089243011	Different Family
[P09619, P35968]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P09619	P35968	8.812479279163536	7.684029654543083	1.1284496246204538	Different Family
[P09619, P35968]	Cc1c([nH]c2c1C(=O)N(CC2)CCN3CCCC3)C=C4c5cc(ccc5NC4=O)F	P09619	P35968	8.397940008672037	8.096910013008056	0.30102999566398125	Different Family
[P09619, P35968]	Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN3CCOCC3)O)C=C4c5cc(ccc5NC4=O)F	P09619	P35968	7.958607314841775	7.576831443935097	0.38177587090667764	Different Family
[P09619, P35968]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	P09619	P35968	7.221848749616356	5.4089353929735005	1.8129133566428557	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCC(CC5)N6CCCCC6	P09619	P35968	7.39040559077478	8.096910013008056	0.7065044222332766	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCCC5CN6CCCC6	P09619	P35968	6.926648297613099	7.928117992693875	1.0014696950807762	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCOCC5	P09619	P35968	7.396855627379818	8.958607314841775	1.5617516874619568	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCCC5	P09619	P35968	7.188424994129407	8.42021640338319	1.2317914092537832	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCOCC5	P09619	P35968	7.7447274948966935	9.0	1.2552725051033065	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN(C)C	P09619	P35968	7.6439741428068775	8.522878745280337	0.8789046024734599	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCC5	P09619	P35968	7.380906669373258	8.013228265733755	0.6323215963604971	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCCC5	P09619	P35968	7.712198270069774	8.366531544420413	0.6543332743506385	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCOCC5	P09619	P35968	7.87942606879415	8.795880017344075	0.9164539485499246	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCO	P09619	P35968	7.896196279044043	8.958607314841775	1.0624110357977319	Different Family
[P09619, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCc5ccccn5	P09619	P35968	6.7942544590573375	7.943095148663527	1.1488406896061898	Different Family
[P09619, P35968]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P09619	P35968	7.034798298974088	6.371182096742968	0.6636162022311192	Different Family
[P09619, P35968]	Cc1cc([nH]c1C=C2c3cc(ccc3NC2=O)C(=O)NCCCSC)C	P09619	P35968	8.096910013008056	7.42021640338319	0.6766936096248664	Different Family
[P09619, P35968]	Cc1cc(cc(c1)N2CCc3c(cnc(n3)N)C2)C(=O)Nc4cccc(c4)C(C)C	P09619	P35968	7.229147988357856	7.769551078621726	0.5404030902638697	Different Family
[P09619, P35968]	Cc1cc(cc(c1)N2CCc3c(cnc(n3)N)C2)C(=O)Nc4cccc(c4)C(F)(F)F	P09619	P35968	6.5638373529592435	7.568636235841013	1.0047988828817696	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P35968	7.853871964321762	8.98052465851433	1.1266526941925683	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P09619	P35968	7.6777807052660805	8.443697499232712	0.7659167939666318	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P09619	P35968	8.080921907623926	8.886056647693163	0.8051347400692368	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P09619	P35968	8.229147988357855	8.958607314841775	0.7294593264839193	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	P35968	8.259637310505756	9.106615286088541	0.8469779755827851	Different Family
[P09619, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P35968	7.721246399047171	8.958607314841775	1.2373609157946035	Different Family
[P09619, P35968]	Cc1cc2c(cc1C)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P35968	7.920818753952375	6.6777807052660805	1.2430380486862944	Different Family
[P09619, P35968]	Cc1cc2c(cc1C)nc(cn2)c3ccccc3	P09619	P35968	5.2076083105017466	5.2076083105017466	0.0	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(c(c3)OC)OC	P09619	P35968	7.179798540514359	7.730487055782084	0.5506885152677246	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC	P09619	P35968	7.650810519079714	7.706807631652825	0.055997112573110464	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC(C)C	P09619	P35968	7.075720713938118	7.414539270491499	0.338818556553381	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3OC)OC	P09619	P35968	7.393618634889395	7.490797477668897	0.09717884277950173	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)CCO4	P09619	P35968	7.609064892896621	8.173925197299173	0.5648603044025524	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)OCO4	P09619	P35968	7.300162274132754	7.701146923590294	0.40098464945753953	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N(c3ccc(cc3)OC)C(C)C	P09619	P35968	7.636388020107856	7.806875401645538	0.17048738153768195	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N3CCCc4c3ccc(c4)OC	P09619	P35968	7.235077015350112	7.478861916295964	0.24378490094585192	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)N3CCc4c3ccc(c4)OC	P09619	P35968	7.135488918941608	7.679853713888946	0.544364794947338	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)C(F)(F)F	P09619	P35968	7.179798540514359	7.1791420105603	6.565299540595149E-4	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)OC	P09619	P35968	7.197226274708024	7.3655227298392685	0.16829645513124447	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3cccc(c3)C#C	P09619	P35968	7.790484985457369	7.117475462045119	0.67300952341225	Different Family
[P09619, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3cccc4c3cc[nH]4	P09619	P35968	7.548213564475709	6.99097425791309	0.5572393065626198	Different Family
[P09619, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(ns3)N)C(=O)N)F	P09619	P35968	7.318758762624412	7.920818753952375	0.6020599913279625	Different Family
[P09619, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(ns3)NCCCN4CCOCC4)C(=O)N)F	P09619	P35968	7.154901959985743	7.568636235841013	0.41373427585527	Different Family
[P09619, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)N)C(=O)N)F	P09619	P35968	7.154901959985743	7.619788758288394	0.46488679830265056	Different Family
[P09619, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N)F	P09619	P35968	7.327902142064283	7.853871964321762	0.5259698222574789	Different Family
[P09619, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	P35968	7.180456064458132	8.349680610785484	1.169224546327352	Different Family
[P09619, P35968]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P09619	P35968	6.27523275435369	6.415555692834824	0.14032293848113397	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)N)C(=O)N	P09619	P35968	7.221848749616356	6.7544873321858505	0.46736141743050563	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCC(=O)O)C(=O)N	P09619	P35968	8.0	8.221848749616356	0.22184874961635614	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCCC4)C(=O)N	P09619	P35968	7.920818753952375	8.0	0.07918124604762511	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P09619	P35968	7.920818753952375	8.096910013008056	0.17609125905568135	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCO)C(=O)N	P09619	P35968	7.886056647693163	8.154901959985743	0.26884531229258	Different Family
[P09619, P35968]	Cc1ccc(cc1)NC(=O)c2cccc(c2)N3CCc4c(cnc(n4)N)C3	P09619	P35968	7.045757490560675	6.106238237942057	0.9395192526186182	Different Family
[P09619, P35968]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P35968	4.394694953858891	4.249491605148654	0.1452033487102371	Different Family
[P09619, P35968]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P09619	P35968	8.847711655616944	6.27417000967942	2.5735416459375244	Different Family
[P09619, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P35968	8.585026652029182	8.638272163982407	0.05324551195322513	Different Family
[P09619, P35968]	Cc1ccc(cc1N2CCc3c(cnc(n3)N)C2)C(=O)Nc4cccc(c4)C(C)C	P09619	P35968	7.522878745280337	7.853871964321762	0.3309932190414244	Different Family
[P09619, P35968]	Cc1ccc(cc1N2CCc3c(cnc(n3)N)C2)C(=O)Nc4cccc(c4)C(F)(F)F	P09619	P35968	7.698970004336019	8.096910013008056	0.3979400086720375	Different Family
[P09619, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P09619	P35968	7.075720713938118	7.97325923198876	0.8975385180506423	Different Family
[P09619, P35968]	Cc1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P35968	7.522878745280337	6.657577319177793	0.865301426102544	Different Family
[P09619, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)C)N3CCc4ccncc4C3	P09619	P35968	7.443697499232713	6.511449283499556	0.9322482157331571	Different Family
[P09619, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)N3CCc4ccncc4C3	P09619	P35968	5.806875401645538	5.657577319177793	0.14929808246774456	Different Family
[P09619, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P09619	P35968	8.0	8.522878745280337	0.5228787452803374	Different Family
[P09619, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2C)N3CCc4ccncc4C3	P09619	P35968	5.978810700930062	6.342944147142896	0.3641334462128345	Different Family
[P09619, P35968]	Cc1cccc(c1)NC(=O)c2cccc(c2)N3CCc4c(cnc(n4)N)C3	P09619	P35968	6.935542010773082	6.943095148663527	0.007553137890445427	Different Family
[P09619, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P35968	8.221848749616356	6.255707016877324	1.9661417327390325	Different Family
[P09619, P35968]	Cc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P09619	P35968	9.154901959985743	7.920818753952375	1.2340832060333682	Different Family
[P09619, P35968]	Cc1ccccc1Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N	P09619	P35968	3.7139928779205253	6.318758762624412	2.604765884703887	Different Family
[P09619, P35968]	Cc1ccccc1Cc2cc3c([nH]2)ncnc3Nc4cccc(c4)Br	P09619	P35968	3.7399286120149253	4.565431095965801	0.8255024839508756	Different Family
[P09619, P35968]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P09619	P35968	3.7969671129852895	3.9453869454431123	0.14841983245782275	Different Family
[P09619, P35968]	Cn1c2ccccc2c(c(c1=O)c3[nH]c4ccccc4n3)O	P09619	P35968	4.721246399047171	5.236572006437063	0.515325607389892	Different Family
[P09619, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	P35968	4.346787486224656	4.823908740944319	0.4771212547196626	Different Family
[P09619, P35968]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P09619	P35968	5.552841968657781	5.366531544420414	0.18631042423736677	Different Family
[P09619, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P35968	5.886056647693163	6.102372908709558	0.21631626101639512	Different Family
[P09619, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCC(=O)NO	P09619	P35968	6.285670240254767	6.537602002101044	0.2519317618462775	Different Family
[P09619, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P09619	P35968	6.732828271596986	6.6252516539898965	0.10757661760708981	Different Family
[P09619, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P09619	P35968	6.195860567664649	6.392009141452825	0.19614857378817607	Different Family
[P09619, P35968]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P09619	P35968	7.060980223551334	5.751658843330804	1.3093213802205295	Different Family
[P09619, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P35968	5.481486060122113	5.920818753952375	0.43933269383026197	Different Family
[P09619, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P35968	5.3979400086720375	6.221848749616356	0.8239087409443187	Different Family
[P09619, P35968]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P09619	P35968	4.609064892896621	4.34008379993015	0.2689810929664711	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P09619	P35968	5.549750891680639	6.508638306165727	0.9588874144850879	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P09619	P35968	5.673664139071248	5.935542010773082	0.2618778717018335	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P09619	P35968	5.638272163982407	7.958607314841775	2.3203351508593677	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P09619	P35968	6.2441251443275085	7.7447274948966935	1.500602350569185	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P35968	4.769551078621726	4.55129368009492	0.2182573985268057	Different Family
[P09619, P35968]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(c(c4)Cl)Cl	P09619	P35968	3.6390281162740643	4.1904402853647325	0.5514121690906681	Different Family
[P09619, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P35968	5.337242168318426	5.301029995663981	0.03621217265444443	Different Family
[P09619, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P35968	5.657577319177793	6.0	0.3424226808222066	Different Family
[P09619, P35968]	c1cc(cc(c1)F)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)N	P09619	P35968	3.763966852882364	4.064996848546345	0.3010299956639808	Different Family
[P09619, P35968]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P09619	P35968	3.7373116556983037	6.522878745280337	2.7855670895820337	Different Family
[P09619, P35968]	c1cc(cc(c1)N2CCc3c(cnc(n3)N)C2)C(=O)NCC4CCCCC4	P09619	P35968	6.220403508742176	5.671620396561262	0.5487831121809137	Different Family
[P09619, P35968]	c1cc(cc(c1)N2CCc3c(cnc(n3)N)C2)C(=O)Nc4ccc(c(c4)C(F)(F)F)F	P09619	P35968	7.214670164989233	7.568636235841013	0.3539660708517802	Different Family
[P09619, P35968]	c1cc(cc(c1)N2CCc3c(cnc(n3)N)C2)C(=O)Nc4cccc(c4)C(F)(F)F	P09619	P35968	7.327902142064283	7.721246399047171	0.3933442569828882	Different Family
[P09619, P35968]	c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3c(c(sn3)N)C(=O)N	P09619	P35968	6.073657553374345	5.785156151952302	0.2885014014220433	Different Family
[P09619, P35968]	c1cc(ccc1c2c(c(sn2)NC(=O)NCCCN3CCOCC3)C(=O)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P09619	P35968	7.619788758288394	8.221848749616356	0.6020599913279625	Different Family
[P09619, P35968]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P09619	P35968	8.34008379993015	7.064240896254688	1.2758429036754624	Different Family
[P09619, P35968]	c1cc2c(c(c1)Cl)c3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N	P09619	P35968	3.70730099695607	4.87942606879415	1.1721250718380802	Different Family
[P09619, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P35968	4.991399828238082	5.886056647693163	0.894656819455081	Different Family
[P09619, P35968]	c1ccc(c(c1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N)Cl	P09619	P35968	5.823908740944319	4.747146969020107	1.076761771924212	Different Family
[P09619, P35968]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P09619	P35968	6.318758762624412	7.958607314841775	1.6398485522173623	Different Family
[P09619, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P35968	9.397940008672037	8.113509274827518	1.2844307338445198	Different Family
[P09619, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P35968	5.698970004336019	5.3872161432802645	0.3117538610557542	Different Family
[P09619, P35968]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c(sn3)NC(=O)NCCCN4CCOCC4)C(=O)N	P09619	P35968	7.6777807052660805	8.096910013008056	0.41912930774197577	Different Family
[P09619, P35968]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P09619	P35968	8.337242168318426	8.934833115752497	0.597590947434071	Different Family
[P09619, P35968]	c1ccc(cc1)Nc2c-3c(nc(n2)N)Cc4c3cccc4	P09619	P35968	4.3655227298392685	3.7664962396588657	0.5990264901804028	Different Family
[P09619, P35968]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P09619	P35968	5.552841968657781	4.645891560852599	0.9069504078051818	Different Family
[P09619, P35968]	c1ccc(cc1)c2ccc(cc2)Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P09619	P35968	3.8890737577335797	4.640164517660112	0.751090759926532	Different Family
[P09619, P35968]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P09619	P35968	6.614393726401688	6.071604147743286	0.542789578658402	Different Family
[P09619, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(c(c4)Cl)F	P09619	P35968	5.1938200260161125	4.137272471682025	1.0565475543340872	Different Family
[P09619, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4)Br	P09619	P35968	4.410050398674293	4.521433504406157	0.11138310573186416	Different Family
[P09619, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4)F	P09619	P35968	5.229147988357856	4.049148541111453	1.179999447246403	Different Family
[P09619, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4F)Cl	P09619	P35968	5.443697499232713	3.7053133757205567	1.7383841235121564	Different Family
[P09619, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4cccc(c4)F	P09619	P35968	5.1487416512809245	4.2541448048262716	0.894596846454653	Different Family
[P09619, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P09619	P35968	8.301029995663981	7.2441251443275085	1.0569048513364727	Different Family
[P09619, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)OCCN5CCOCC5)N	P09619	P35968	8.301029995663981	7.180456064458132	1.1205739312058496	Different Family
[P09619, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P09619	P35968	8.0	7.236572006437063	0.7634279935629369	Different Family
[P09619, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)NCC5CCNCC5	P09619	P35968	9.045757490560675	6.026872146400302	3.018885344160373	Different Family
[P09619, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P09619	P35968	7.698970004336019	6.619788758288394	1.079181246047625	Different Family
[P09619, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35968	6.070581074285707	7.040958607678906	0.970377533393199	Different Family
[P09619, P35968]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P35968	6.494850021680094	8.096910013008056	1.6020599913279625	Different Family
[P09619, P35968]	c1ccc2c(c1)c(nnc2Nc3ccc(c(c3)C(F)(F)F)Cl)Cc4ccncc4	P09619	P35968	5.3979400086720375	6.522878745280337	1.1249387366083	Different Family
[P09619, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P35968	5.376750709602099	5.3872161432802645	0.010465433678165326	Different Family
[P09619, P35968]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P09619	P35968	5.049635145623877	6.2076083105017466	1.1579731648778697	Different Family
[P09619, P35968]	c1ccc2c(c1)cccc2Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P09619	P35968	3.888401475119606	4.826813731587726	0.9384122564681201	Different Family
[P09619, P35968]	c1ccc2cc(ccc2c1)Cn3ccc4c3nc(nc4Nc5cccc(c5)Br)N	P09619	P35968	3.6728454875905685	4.640164517660112	0.9673190300695431	Different Family
[P09619, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4cccc(c4)Br)N	P09619	P35968	4.872895201635193	4.30189945437661	0.5709957472585829	Different Family
[P09619, P35968]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P09619	P35968	6.698970004336019	7.518106086327222	0.8191360819912035	Different Family
[P09619, P11362]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P09619	P11362	6.391473966422806	6.790484985457369	0.39901101903456304	Different Family
[P09619, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P11362	8.794190147018384	8.200659450546418	0.5935306964719658	Different Family
[P09619, P11362]	CCC1CCN(C(C1)Nc2c3ccccc3[nH]c(=O)c2c4[nH]c5ccccc5n4)C	P09619	P11362	9.698970004336019	6.721246399047171	2.9777236052888476	Different Family
[P09619, P11362]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P11362	4.798602875679548	5.055517327849832	0.2569144521702835	Different Family
[P09619, P11362]	CN(C)C1CCN(C1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P11362	8.397940008672037	7.698970004336019	0.6989700043360187	Different Family
[P09619, P11362]	CN(C)CC(=O)N(C)c1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P11362	9.0	8.522878745280337	0.4771212547196626	Different Family
[P09619, P11362]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P11362	4.991399828238082	4.4156687756324695	0.5757310526056125	Different Family
[P09619, P11362]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P09619	P11362	5.119186407719209	4.627087997029894	0.4920984106893149	Different Family
[P09619, P11362]	CN(C)c1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P09619	P11362	7.154901959985743	6.4089353929735005	0.7459665670122426	Different Family
[P09619, P11362]	CN1CCCC(C1)Oc2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P11362	10.0	9.0	1.0	Different Family
[P09619, P11362]	CN1CCCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P11362	8.301029995663981	7.698970004336019	0.6020599913279625	Different Family
[P09619, P11362]	CN1CCN(CC1)C(=O)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P11362	9.045757490560675	8.0	1.0457574905606748	Different Family
[P09619, P11362]	CN1CCN(CC1)Cc2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P11362	8.698970004336019	8.045757490560675	0.653212513775344	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P09619	P11362	7.585026652029182	7.585026652029182	0.0	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P09619	P11362	8.301029995663981	7.958607314841775	0.3424226808222066	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P11362	6.886056647693163	5.3872161432802645	1.4988405044128985	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cc(cc5F)F)[nH]c4=O)N	P09619	P11362	8.301029995663981	7.522878745280337	0.7781512503836439	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cccc5Cl)[nH]c4=O)N	P09619	P11362	9.522878745280337	8.698970004336019	0.8239087409443187	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)F)F)N	P09619	P11362	8.522878745280337	6.958607314841775	1.5642714304385628	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)N(C)C)F)N	P09619	P11362	7.522878745280337	5.7447274948966935	1.7781512503836439	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)C(=O)NCc6ccccc6)N	P09619	P11362	10.0	8.0	2.0	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)Cl)N	P09619	P11362	8.096910013008056	7.619788758288394	0.4771212547196626	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)F)N	P09619	P11362	9.0	7.3979400086720375	1.6020599913279625	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N(C)C)N	P09619	P11362	8.154901959985743	7.080921907623926	1.0739800523618168	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N)N	P09619	P11362	8.154901959985743	8.154901959985743	0.0	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NC(=O)c6ccccc6)N	P09619	P11362	7.4089353929735005	6.045757490560675	1.3631779024128257	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NCc6ccccc6)N	P09619	P11362	9.221848749616356	8.096910013008056	1.1249387366083	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccc(cc5[nH]c4=O)F)N	P09619	P11362	9.397940008672037	8.522878745280337	0.8750612633917001	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cccc(c5[nH]c4=O)F)N	P09619	P11362	7.853871964321762	6.721246399047171	1.1326255652745907	Different Family
[P09619, P11362]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P09619	P11362	8.698970004336019	8.071333751784366	0.6276362525516532	Different Family
[P09619, P11362]	CN1CCN(CC1)c2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P09619	P11362	9.522878745280337	9.0	0.5228787452803374	Different Family
[P09619, P11362]	CNc1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P09619	P11362	7.522878745280337	6.920818753952375	0.6020599913279625	Different Family
[P09619, P11362]	CNc1ccc2c(c1)[nH]c(=O)c(c2N)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C	P09619	P11362	8.045757490560675	6.431798275933005	1.6139592146276698	Different Family
[P09619, P11362]	CNc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P09619	P11362	8.698970004336019	7.823908740944319	0.8750612633917001	Different Family
[P09619, P11362]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P09619	P11362	5.060480747381382	4.623423042943488	0.43705770443789405	Different Family
[P09619, P11362]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P09619	P11362	5.259637310505756	5.1487416512809245	0.11089565922483136	Different Family
[P09619, P11362]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P09619	P11362	8.3767507096021	4.33913452199613	4.037616187605969	Different Family
[P09619, P11362]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	P09619	P11362	7.221848749616356	5.7423214251308154	1.4795273244855407	Different Family
[P09619, P11362]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P11362	7.853871964321762	5.568636235841013	2.2852357284807487	Different Family
[P09619, P11362]	Cc1cc2c(cc1C)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P11362	7.920818753952375	7.154901959985743	0.7659167939666318	Different Family
[P09619, P11362]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P11362	8.585026652029182	8.744727494896694	0.15970084286751174	Different Family
[P09619, P11362]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P09619	P11362	7.075720713938118	6.853871964321762	0.22184874961635614	Different Family
[P09619, P11362]	Cc1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P09619	P11362	7.522878745280337	7.096910013008056	0.42596873227228116	Different Family
[P09619, P11362]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P09619	P11362	7.552841968657781	6.055517327849832	1.4973246408079488	Different Family
[P09619, P11362]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P11362	8.221848749616356	6.017728766960432	2.204119982655924	Different Family
[P09619, P11362]	Cc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P09619	P11362	9.154901959985743	8.522878745280337	0.6320232147054057	Different Family
[P09619, P11362]	Cn1c2ccccc2nc1c3c(c4ccccc4[nH]c3=O)O	P09619	P11362	5.958607314841775	5.102372908709558	0.8562344061322165	Different Family
[P09619, P11362]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P09619	P11362	5.552841968657781	5.309803919971486	0.24303804868629442	Different Family
[P09619, P11362]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P11362	9.397940008672037	7.920818753952375	1.4771212547196626	Different Family
[P09619, P11362]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P09619	P11362	8.337242168318426	6.1913164908710305	2.145925677447395	Different Family
[P09619, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P09619	P11362	7.0	6.749579997691106	0.2504200023088936	Different Family
[P09619, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P09619	P11362	6.614393726401688	7.200659450546419	0.5862657241447309	Different Family
[P09619, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P09619	P11362	8.301029995663981	7.600329725273209	0.7007002703907723	Different Family
[P09619, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)OCCN5CCOCC5)N	P09619	P11362	8.301029995663981	7.698970004336019	0.6020599913279625	Different Family
[P09619, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P09619	P11362	8.0	7.439713034397075	0.5602869656029252	Different Family
[P09619, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)NCC5CCNCC5	P09619	P11362	9.045757490560675	6.259637310505756	2.786120180054919	Different Family
[P09619, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P09619	P11362	7.698970004336019	6.856659515322535	0.8423104890134834	Different Family
[P09619, P11362]	c1ccc2c(c1)cc(c(=O)[nH]2)c3[nH]c4ccccc4n3	P09619	P11362	7.154901959985743	6.4089353929735005	0.7459665670122426	Different Family
[P09619, P11362]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P09619	P11362	5.301029995663981	5.173925197299174	0.12710479836480726	Different Family
[P08581, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P08581	4.42021640338319	4.5376020021010435	0.11738559871785359	Different Family
[P08581, P09619]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P09619	P08581	6.278601624478495	8.91721462968355	2.6386130052050545	Different Family
[P08581, P09619]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P09619	P08581	5.173925197299174	5.130768280269024	0.04315691703015023	Different Family
[P08581, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P08581	5.7121982700697735	4.6020599913279625	1.110138278741811	Different Family
[P08581, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P08581	6.167491087293763	4.455931955649724	1.711559131644039	Different Family
[P08581, P09619]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P09619	P08581	8.301029995663981	5.636388020107856	2.6646419755561253	Different Family
[P08581, P09619]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P09619	P08581	7.787812395596042	8.98296666070122	1.1951542651051774	Different Family
[P08581, P09619]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P09619	P08581	8.812479279163536	7.97469413473523	0.8377851444283069	Different Family
[P08581, P09619]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P09619	P08581	8.09151498112135	7.507239610973162	0.5842753701481875	Different Family
[P08581, P09619]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P09619	P08581	7.034798298974088	8.667561540084394	1.6327632411103066	Different Family
[P08581, P09619]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P09619	P08581	6.27523275435369	8.939302159646388	2.6640694052926985	Different Family
[P08581, P09619]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P09619	P08581	8.847711655616944	8.856985199745905	0.009273544128960864	Different Family
[P08581, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P08581	5.886056647693163	6.236572006437063	0.35051535874390005	Different Family
[P08581, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P08581	5.481486060122113	5.958607314841775	0.4771212547196617	Different Family
[P08581, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P08581	5.3979400086720375	6.096910013008056	0.6989700043360187	Different Family
[P08581, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P08581	5.337242168318426	5.2441251443275085	0.09311702399091715	Different Family
[P08581, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P08581	5.657577319177793	5.366531544420414	0.2910457747573796	Different Family
[P08581, P09619]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P09619	P08581	8.34008379993015	8.774690718274137	0.43460691834398624	Different Family
[P08581, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P08581	4.991399828238082	5.552841968657781	0.5614421404196985	Different Family
[P08581, P09619]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P08581	9.397940008672037	6.962573502059376	2.4353665066126613	Different Family
[P08581, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P08581	5.698970004336019	5.292429823902063	0.40654018043395546	Different Family
[P08581, P09619]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P08581	5.376750709602099	5.481486060122113	0.1047353505200137	Different Family
[P07948, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P07948	8.794190147018384	8.781918676479622	0.012271470538761875	Different Family
[P07948, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P07948	5.7121982700697735	5.309803919971486	0.4023943500982874	Different Family
[P07948, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P09619	P07948	6.114412643810344	5.451733454829255	0.6626791889810892	Different Family
[P07948, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P09619	P07948	7.1848974616561545	5.892450870255313	1.2924465914008412	Different Family
[P07948, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P09619	P07948	4.450996737974212	4.342752870116284	0.1082438678579285	Different Family
[P07948, P09619]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P09619	P07948	7.142667503568732	6.657577319177793	0.48509018439093854	Different Family
[P07948, P09619]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P07948	8.221848749616356	7.6777807052660805	0.5440680443502757	Different Family
[P07948, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P07948	5.337242168318426	5.309803919971486	0.02743824834693953	Different Family
[P07948, P09619]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P07948	5.657577319177793	5.468521082957745	0.18905623622004875	Different Family
[P07948, P09619]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P09619	P07948	9.397940008672037	8.397940008672037	1.0	Different Family
[P07948, P09619]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P07948	5.698970004336019	5.1249387366083	0.5740312677277188	Different Family
[P09619, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	Q02763	4.42021640338319	4.958607314841775	0.5383909114585848	Different Family
[P09619, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	Q02763	8.794190147018384	6.671212799645465	2.1229773473729185	Different Family
[P09619, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	Q02763	5.7121982700697735	7.365243527891042	1.6530452578212689	Different Family
[P09619, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	Q02763	6.167491087293763	5.841805124463402	0.3256859628303612	Different Family
[P09619, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	Q02763	4.958607314841775	5.2839966563652006	0.3253893415234259	Different Family
[P09619, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	Q02763	4.3979400086720375	4.6020599913279625	0.20411998265592501	Different Family
[P09619, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	Q02763	7.180456064458132	6.769551078621726	0.4109049858364058	Different Family
[P09619, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	Q02763	8.585026652029182	8.657577319177793	0.07255066714861158	Different Family
[P09619, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	Q02763	8.221848749616356	6.168770306132936	2.05307844348342	Different Family
[P09619, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	Q02763	5.886056647693163	6.585026652029182	0.6989700043360187	Different Family
[P09619, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	Q02763	5.481486060122113	6.096910013008056	0.6154239528859433	Different Family
[P09619, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	Q02763	5.3979400086720375	6.221848749616356	0.8239087409443187	Different Family
[P09619, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	Q02763	4.991399828238082	5.7447274948966935	0.7533276666586115	Different Family
[O14965, P09619]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	O14965	4.42021640338319	4.522878745280337	0.10266234189714751	Different Group
[O14965, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	O14965	8.794190147018384	8.160579629225387	0.6336105177929969	Different Group
[O14965, P09619]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	O14965	5.7121982700697735	4.6020599913279625	1.110138278741811	Different Group
[O14965, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	O14965	6.167491087293763	5.135985522789741	1.0315055645040223	Different Group
[O14965, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P09619	O14965	4.958607314841775	4.795880017344075	0.16272729749769965	Different Group
[O14965, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	O14965	4.3979400086720375	4.327902142064283	0.07003786660775457	Different Group
[O14965, P09619]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P09619	O14965	8.09151498112135	6.692503962086787	1.3990110190345622	Different Group
[O14965, P09619]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	O14965	7.853871964321762	5.5376020021010435	2.3162699622207183	Different Group
[O14965, P09619]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P09619	O14965	7.6777807052660805	6.167491087293763	1.510289617972317	Different Group
[O14965, P09619]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P09619	O14965	8.229147988357855	6.769551078621726	1.4595969097361294	Different Group
[O14965, P09619]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P09619	O14965	8.259637310505756	6.443697499232713	1.8159398112730427	Different Group
[O14965, P09619]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	O14965	7.721246399047171	6.920818753952375	0.8004276450947962	Different Group
[O14965, P09619]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P09619	O14965	7.180456064458132	6.119186407719209	1.061269656738923	Different Group
[O14965, P09619]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	O14965	4.346787486224656	5.494850021680094	1.1480625354554377	Different Group
[O14965, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	O14965	5.886056647693163	5.605548319173784	0.280508328519379	Different Group
[O14965, P09619]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P09619	O14965	7.060980223551334	6.258139605934736	0.8028406176165976	Different Group
[O14965, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	O14965	5.481486060122113	7.0	1.518513939877887	Different Group
[O14965, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	O14965	5.3979400086720375	5.585026652029182	0.1870866433571443	Different Group
[O14965, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	O14965	4.991399828238082	5.4089353929735005	0.4175355647354184	Different Group
[P09619, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P09619	P15056	8.0	6.949814727441218	1.0501852725587817	Different Group
[P09619, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P09619	P15056	9.0	7.090228032229065	1.9097719677709346	Different Group
[P09619, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P09619	P15056	6.508638306165727	6.727346441767088	0.2187081356013607	Different Group
[P09619, P15056]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	P15056	8.794190147018384	8.200030365288617	0.5941597817297666	Different Group
[P09619, P15056]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P09619	P15056	7.721246399047171	6.537602002101044	1.1836443969461268	Different Group
[P09619, P15056]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P09619	P15056	8.585026652029182	7.698970004336019	0.8860566476931631	Different Group
[P09619, P15056]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P15056	5.886056647693163	5.7544873321858505	0.13156931550731255	Different Group
[P09619, P15056]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P09619	P15056	5.337242168318426	5.229147988357856	0.10809417996056947	Different Group
[P09619, P15056]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P09619	P15056	5.657577319177793	5.2076083105017466	0.44996900867604683	Different Group
[P09619, P15056]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P09619	P15056	5.698970004336019	5.6020599913279625	0.09691001300805624	Different Group
[P09619, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P09619	P54760	4.42021640338319	4.698970004336019	0.27875360095282886	Different Family
[P09619, P54760]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P09619	P54760	5.173925197299174	5.4089353929735005	0.23501019567432646	Different Family
[P09619, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P09619	P54760	5.7121982700697735	5.080921907623926	0.6312763624458473	Different Family
[P09619, P54760]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	P54760	6.167491087293763	5.044154920623069	1.1233361666706942	Different Family
[P09619, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P09619	P54760	7.823908740944319	7.3979400086720375	0.42596873227228116	Different Family
[P09619, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5cc(ccc5Cl)O	P09619	P54760	8.958607314841775	7.798602875679548	1.1600044391622264	Different Family
[P09619, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)S(=O)(=O)NCCN4CCCC4)c5cc(ccc5Cl)O	P09619	P54760	8.769551078621726	7.511449283499556	1.2581017951221698	Different Family
[P09619, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCC5CCCC5)C)C	P09619	P54760	8.229147988357855	7.309803919971486	0.9193440683863692	Different Family
[P09619, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P09619	P54760	8.221848749616356	7.1938200260161125	1.0280287236002437	Different Family
[P09619, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P09619	P54760	8.031517051446064	7.132532512140949	0.8989845393051157	Different Family
[P09619, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(o4)C(=O)NCCN5CCCC5)C)C	P09619	P54760	6.931814138253839	7.16304326294045	0.23122912468661116	Different Family
[P09619, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4nc(cs4)C(=O)NCCN5CCCC5)C)C	P09619	P54760	7.221848749616356	7.179798540514359	0.04205020910199675	Different Family
[P09619, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	P54760	5.886056647693163	5.73754891026957	0.1485077374235928	Different Family
[P09619, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	P54760	5.481486060122113	5.468521082957745	0.012964977164368285	Different Family
[P09619, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	P54760	5.3979400086720375	5.468521082957745	0.07058107428570715	Different Family
[P09619, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	P54760	4.991399828238082	5.113509274827518	0.12210944658943568	Different Family
[P09619, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P09619	P54760	5.376750709602099	5.638272163982407	0.2615214543803077	Different Family
[O60285, P09619]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P09619	O60285	6.958607314841775	6.075720713938118	0.8828866009036567	Different Group
[O60285, P09619]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P09619	O60285	6.376750709602099	5.698970004336019	0.6777807052660805	Different Group
[O60285, P09619]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P09619	O60285	8.794190147018384	8.096910013008056	0.6972801340103274	Different Group
[O60285, P09619]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P09619	O60285	7.585026652029182	8.30539480106643	0.7203681490372489	Different Group
[O60285, P09619]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P09619	O60285	5.173925197299174	5.013228265733755	0.1606969315654192	Different Group
[O60285, P09619]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P09619	O60285	6.167491087293763	4.366531544420414	1.8009595428733496	Different Group
[O60285, P09619]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P09619	O60285	4.3979400086720375	4.468521082957745	0.07058107428570715	Different Group
[O60285, P09619]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P09619	O60285	4.346787486224656	5.309803919971486	0.9630164337468301	Different Group
[O60285, P09619]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P09619	O60285	5.886056647693163	6.292429823902063	0.40637317620890023	Different Group
[O60285, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P09619	O60285	5.481486060122113	5.7447274948966935	0.2632414347745806	Different Group
[O60285, P09619]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P09619	O60285	5.3979400086720375	5.769551078621726	0.3716110699496884	Different Group
[O60285, P09619]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P09619	O60285	4.991399828238082	5.494850021680094	0.5034501934420117	Different Group
[P10721, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P10721	P35916	6.531652669587842	5.925183559354825	0.6064691102330171	Different Family
[P10721, P35916]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P10721	P35916	7.2441251443275085	8.397940008672037	1.153814864344529	Different Family
[P10721, P35916]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P10721	P35916	4.958607314841775	5.236572006437063	0.27796469159528847	Different Family
[P10721, P35916]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P35916	4.327902142064283	4.769551078621726	0.441648936557443	Different Family
[P10721, P35916]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P10721	P35916	8.017728766960431	9.301029995663981	1.2833012287035501	Different Family
[P10721, P35916]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P10721	P35916	5.869964306007462	5.824875990832918	0.045088315174544036	Different Family
[P10721, P35916]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P10721	P35916	5.636636395486714	6.031743128760553	0.39510673327383916	Different Family
[P10721, P35916]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P10721	P35916	8.619788758288394	8.886056647693163	0.2662678894047694	Different Family
[P10721, P35916]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P10721	P35916	7.585026652029182	8.522878745280337	0.9378520932511556	Different Family
[P10721, P35916]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P10721	P35916	6.838631997765025	5.803271277376713	1.0353607203883115	Different Family
[P10721, P35916]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P35916	6.39040559077478	6.79317412396815	0.40276853319337036	Different Family
[P10721, P35916]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P10721	P35916	7.920818753952375	8.397940008672037	0.4771212547196626	Different Family
[P10721, P35916]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P10721	P35916	6.045757490560675	5.301029995663981	0.7447274948966935	Different Family
[P10721, P35916]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35916	7.795880017344075	8.045757490560675	0.2498774732165998	Different Family
[P10721, P35916]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P10721	P35916	8.285285367809106	8.55284196865778	0.2675566008486747	Different Family
[P10721, P35916]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P35916	6.739928612014925	7.060480747381382	0.3205521353664569	Different Family
[P10721, P35916]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P10721	P35916	6.3979400086720375	6.301029995663981	0.09691001300805624	Different Family
[P10721, P35916]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P10721	P35916	8.154901959985743	7.167491087293763	0.9874108726919797	Different Family
[P10721, P35916]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P10721	P35916	5.167491087293763	5.431798275933005	0.26430718863924163	Different Family
[P10721, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P35916	7.130768280269024	7.327902142064283	0.19713386179525916	Different Family
[P10721, P35916]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P10721	P35916	7.958607314841775	8.397940008672037	0.43933269383026285	Different Family
[P10721, P35916]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P10721	P35916	8.221848749616356	7.886056647693163	0.3357921019231931	Different Family
[P10721, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P10721	P35916	8.221848749616356	6.376750709602099	1.845098040014257	Different Family
[P10721, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P10721	P35916	9.0	5.703334809738469	3.296665190261531	Different Family
[P10721, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P10721	P35916	7.769551078621726	5.991399828238082	1.7781512503836439	Different Family
[P10721, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P10721	P35916	7.958607314841775	8.221848749616356	0.2632414347745815	Different Family
[P10721, P35916]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P35916	7.552841968657781	7.638272163982407	0.08543019532462637	Different Family
[P10721, P35916]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P10721	P35916	6.987162775294828	6.772113295386326	0.21504947990850187	Different Family
[P10721, P35916]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35916	9.0	7.327902142064283	1.672097857935717	Different Family
[P10721, P35916]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35916	7.853871964321762	8.154901959985743	0.30102999566398125	Different Family
[P10721, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P10721	P36888	6.531652669587842	7.657577319177793	1.125924649589951	Same Family
[P10721, P36888]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P10721	P36888	7.27531461176264	8.714442690992227	1.4391280792295866	Same Family
[P10721, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P10721	P36888	7.2441251443275085	8.795880017344075	1.5517548730165664	Same Family
[P10721, P36888]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P10721	P36888	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[P10721, P36888]	CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P36888	4.0	4.69466991845506	0.6946699184550598	Same Family
[P10721, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P10721	P36888	4.958607314841775	5.619788758288394	0.661181443446619	Same Family
[P10721, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P36888	4.327902142064283	4.795880017344075	0.46797787527979207	Same Family
[P10721, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P10721	P36888	8.017728766960431	8.309803919971486	0.292075153011055	Same Family
[P10721, P36888]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P10721	P36888	5.869964306007462	6.355317024239985	0.48535271823252213	Same Family
[P10721, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P10721	P36888	5.636636395486714	6.2760335672039105	0.6393971717171967	Same Family
[P10721, P36888]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P10721	P36888	6.638272163982407	6.42021640338319	0.21805576059921705	Same Family
[P10721, P36888]	CCN(CC)CCCNc1c2c(ccs2)nc(n1)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P10721	P36888	5.214670164989233	6.0	0.7853298350107671	Same Family
[P10721, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P10721	P36888	8.619788758288394	8.886056647693163	0.2662678894047694	Same Family
[P10721, P36888]	CCN(CC)CCOc1ccc(c2c1[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	P36888	7.214670164989233	7.221848749616356	0.007178584627123286	Same Family
[P10721, P36888]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P10721	P36888	8.920818753952375	8.698970004336019	0.22184874961635614	Same Family
[P10721, P36888]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P10721	P36888	8.102372908709558	9.0	0.8976270912904418	Same Family
[P10721, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P10721	P36888	6.051587034221399	7.698970004336019	1.64738297011462	Same Family
[P10721, P36888]	CCc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.376750709602099	7.259637310505756	0.11711339909634333	Same Family
[P10721, P36888]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P10721	P36888	7.3872161432802645	7.6777807052660805	0.29056456198581593	Same Family
[P10721, P36888]	CN(C)CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	P10721	P36888	6.252588192113577	7.3979400086720375	1.1453518165584606	Same Family
[P10721, P36888]	CN(C)CCNc1cc(ncn1)n2c(nc(n2)Nc3ccccc3OC)N	P10721	P36888	5.935542010773082	8.045757490560675	2.110215479787593	Same Family
[P10721, P36888]	CN1CCC(CC1)c2ccc(cc2)Nc3nc(n(n3)c4ccccn4)N	P10721	P36888	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[P10721, P36888]	CN1CCC(CC1)c2ccc(cc2)Nc3ncc4c(=O)c(cn(c4n3)c5ccc6c(c5)CCC6)C(=O)NOC	P10721	P36888	7.698970004336019	7.096910013008056	0.6020599913279625	Same Family
[P10721, P36888]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P10721	P36888	6.440332721611942	8.667561540084394	2.227228818472452	Same Family
[P10721, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P10721	P36888	5.82131076022441	7.698970004336019	1.8776592441116087	Same Family
[P10721, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P10721	P36888	7.585026652029182	8.045757490560675	0.460730838531493	Same Family
[P10721, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P36888	6.39040559077478	6.174573882232177	0.21583170854260292	Same Family
[P10721, P36888]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5	P10721	P36888	6.017276612331455	8.698970004336019	2.681693392004564	Same Family
[P10721, P36888]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P10721	P36888	6.280555225880322	8.254432191740108	1.9738769658597857	Same Family
[P10721, P36888]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P10721	P36888	6.045757490560675	4.443697499232712	1.6020599913279625	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P10721	P36888	7.346787486224656	6.4089353929735005	0.9378520932511556	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P10721	P36888	8.4089353929735	8.070581074285707	0.3383543186877933	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P10721	P36888	8.39577394691553	8.056505484093897	0.33926846282163226	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P10721	P36888	8.66354026615147	8.45717457304082	0.20636569311064967	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P10721	P36888	6.789146634685107	6.435689090039397	0.35345754464570955	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P10721	P36888	8.028724151261894	8.050122295963126	0.021398144701231914	Same Family
[P10721, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P10721	P36888	8.285285367809106	8.25336580106242	0.03191956674668539	Same Family
[P10721, P36888]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P10721	P36888	7.90031935889075	8.913640169325252	1.013320810434502	Same Family
[P10721, P36888]	COc1ccc(cc1Nc2nc(n(n2)c3ccccn3)N)N4CCOCC4	P10721	P36888	5.638272163982407	7.443697499232713	1.8054253352503062	Same Family
[P10721, P36888]	CS(=O)(=O)CCN1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P10721	P36888	6.6777807052660805	7.008773924307505	0.3309932190414244	Same Family
[P10721, P36888]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P36888	7.4179366370882915	6.872895201635193	0.5450414354530988	Same Family
[P10721, P36888]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P10721	P36888	7.853871964321762	9.301029995663981	1.4471580313422194	Same Family
[P10721, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P36888	6.739928612014925	7.568636235841013	0.8287076238260882	Same Family
[P10721, P36888]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P10721	P36888	8.364516253185087	8.032452023781138	0.3320642294039491	Same Family
[P10721, P36888]	Cc1cc(c-2ccccc(c12)OCCN3CCCC3CO)C=C4c5cc(ccc5NC4=O)F	P10721	P36888	7.356547323513813	7.164413578642458	0.19213374487135493	Same Family
[P10721, P36888]	Cc1cc(cc(c1O)C)C=NNC(=O)Nc2ccc(cc2)c3nc4ccsc4c(n3)N5CCOCC5	P10721	P36888	5.251811972993799	5.638272163982407	0.3864601909886076	Same Family
[P10721, P36888]	Cc1cc(ccc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	8.0	8.154901959985743	0.15490195998574308	Same Family
[P10721, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P36888	7.795880017344075	8.0	0.20411998265592501	Same Family
[P10721, P36888]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P10721	P36888	6.185419483989682	6.304255724802677	0.11883624081299526	Same Family
[P10721, P36888]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.769551078621726	8.698970004336019	0.9294189257142929	Same Family
[P10721, P36888]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P10721	P36888	5.167491087293763	8.0	2.8325089127062366	Same Family
[P10721, P36888]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P36888	6.347077112432058	8.96657624451305	2.6194991320809917	Same Family
[P10721, P36888]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	P36888	8.539677499296605	9.522878745280337	0.9832012459837323	Same Family
[P10721, P36888]	Cc1ccc(cc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.376750709602099	7.327902142064283	0.0488485675378163	Same Family
[P10721, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P10721	P36888	8.001740661576301	6.928854709548917	1.0728859520273843	Same Family
[P10721, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P10721	P36888	7.260111344915457	6.054531414868181	1.2055799300472767	Same Family
[P10721, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	P36888	7.488116639021126	6.011485634166334	1.4766310048547915	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)Cl)c3csc4c3c(ncn4)N	P10721	P36888	6.698970004336019	7.229147988357856	0.5301779840218375	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)F)c3csc4c3c(ncn4)N	P10721	P36888	7.568636235841013	8.0	0.4313637641589869	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)OC)c3csc4c3c(ncn4)N	P10721	P36888	6.7447274948966935	6.853871964321762	0.10914446942506828	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)Br	P10721	P36888	7.4089353929735005	7.886056647693163	0.4771212547196626	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCN(CC5)C	P10721	P36888	6.537602002101044	6.667561540084395	0.1299595379833507	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCOCC5	P10721	P36888	6.3979400086720375	6.346787486224656	0.05115252244738144	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)F	P10721	P36888	8.301029995663981	7.853871964321762	0.44715803134221943	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OC	P10721	P36888	7.552841968657781	7.5376020021010435	0.015239966556737095	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN(C)C	P10721	P36888	7.187086643357144	7.136677139879544	0.050409503477600204	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5	P10721	P36888	7.585026652029182	6.920818753952375	0.6642078980768069	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5=O	P10721	P36888	7.275724130399211	7.823908740944319	0.5481846105451078	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCOCC5	P10721	P36888	7.301029995663981	7.619788758288394	0.3187587626244124	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCOC	P10721	P36888	7.494850021680094	7.468521082957745	0.026328938722349093	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.769551078621726	7.920818753952375	0.151267675330649	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P10721	P36888	8.368556230986828	8.742321425130816	0.37376519414398857	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P10721	P36888	7.566870482419515	8.661543506395395	1.0946730239758802	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P10721	P36888	8.221848749616356	8.698970004336019	0.4771212547196626	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2Cl)c3csc4c3c(ncn4)N	P10721	P36888	7.267606240177032	6.154901959985743	1.1127042801912888	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2F)c3csc4c3c(ncn4)N	P10721	P36888	7.42021640338319	7.173925197299173	0.24629120608401678	Same Family
[P10721, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2OC)c3csc4c3c(ncn4)N	P10721	P36888	7.552841968657781	6.886056647693163	0.6667853209646175	Same Family
[P10721, P36888]	Cc1cccc2c1cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P10721	P36888	6.301029995663981	7.18837535480105	0.8873453591370684	Same Family
[P10721, P36888]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.0655015487564325	8.522878745280337	1.4573771965239048	Same Family
[P10721, P36888]	Cn1c2c(cc(c1=O)Sc3ccc(cc3)F)cnc(n2)Nc4ccc5c(c4)cc[nH]5	P10721	P36888	5.211266141172293	5.053203972728539	0.15806216844375331	Same Family
[P10721, P36888]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	P36888	4.731828116375324	6.229147988357856	1.4973198719825325	Same Family
[P10721, P36888]	c1cc(c(cc1C2CCN(CC2)CCN3CCOCC3)C4=CCCCC4)NC(=O)c5[nH]cc(n5)C#N	P10721	P36888	7.2839966563652006	8.096910013008056	0.8129133566428557	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)N	P10721	P36888	5.133122185662502	7.366531544420414	2.2334093587579122	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)C4CCCCC4	P10721	P36888	6.818156412055227	7.886056647693163	1.0679002356379357	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)NC4CCCC4	P10721	P36888	6.070581074285707	7.4089353929735005	1.3383543186877933	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P36888	6.823908740944319	6.568636235841013	0.25527250510330557	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P10721	P36888	7.698970004336019	7.585026652029182	0.11394335230683694	Same Family
[P10721, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccsc4	P10721	P36888	7.376750709602099	8.301029995663981	0.924279286061882	Same Family
[P10721, P36888]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.161150909262744	6.97469413473523	0.18645677452751475	Same Family
[P10721, P36888]	c1cc(cc(c1)Cl)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.886056647693163	8.522878745280337	0.6368220975871743	Same Family
[P10721, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P36888	5.154901959985743	5.366531544420414	0.21162958443467073	Same Family
[P10721, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P36888	6.102372908709558	5.481486060122113	0.6208868485874453	Same Family
[P10721, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.823908740944319	7.6020599913279625	0.22184874961635614	Same Family
[P10721, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P10721	P36888	7.636806309385258	8.916489102104872	1.2796827927196146	Same Family
[P10721, P36888]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)C(F)(F)F	P10721	P36888	7.3872161432802645	8.0	0.6127838567197355	Same Family
[P10721, P36888]	c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.318758762624412	7.585026652029182	0.2662678894047694	Same Family
[P10721, P36888]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P10721	P36888	6.488678244082297	8.686132779630846	2.197454535548549	Same Family
[P10721, P36888]	c1cc2c(cc1O)cc([nH]2)C(=O)c3cc4cc(ccc4[nH]3)O	P10721	P36888	6.301029995663981	7.439713034397075	1.1386830387330935	Same Family
[P10721, P36888]	c1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P36888	7.468521082957745	6.804100347590766	0.6644207353669787	Same Family
[P10721, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P36888	5.657577319177793	6.142667503568732	0.48509018439093854	Same Family
[P10721, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P36888	5.200659450546418	5.853871964321762	0.653212513775344	Same Family
[P10721, P36888]	c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4c5ccccc5ncn4	P10721	P36888	6.068374954496331	5.1744440677096435	0.8939308867866878	Same Family
[P10721, P36888]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P36888	7.356547323513813	7.267606240177032	0.08894108333678119	Same Family
[P10721, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P36888	5.259637310505756	5.0915149811213505	0.1681223293844054	Same Family
[P10721, P36888]	c1ccnc(c1)n2c(nc(n2)Nc3cc(ccc3F)N4CCOCC4)N	P10721	P36888	6.119186407719209	7.568636235841013	1.4494498281218045	Same Family
[P10721, P36888]	c1ccnc(c1)n2c(nc(n2)Nc3ccc(cc3)C(=O)NCCN4CCOCC4)N	P10721	P36888	7.638272163982407	7.721246399047171	0.0829742350647642	Same Family
[P10721, P36888]	c1ccnc(c1)n2c(nc(n2)Nc3ccc(cc3)C4CCC(CC4)N5CCOCC5)N	P10721	P36888	8.397940008672037	9.1419983281826	0.7440583195105628	Same Family
[P10721, P36888]	c1ccnc(c1)n2c(nc(n2)Nc3ccc(cc3)N4CCOCC4)N	P10721	P36888	7.7447274948966935	8.0	0.25527250510330646	Same Family
[P10721, P36888]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P10721	P36888	3.272458742971444	3.492144128304169	0.2196853853327254	Same Family
[P10721, P16234]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P10721	P16234	6.531652669587842	6.431798275933005	0.09985439365483728	Same Family
[P10721, P16234]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P10721	P16234	8.096910013008056	8.036212172654444	0.06069784035361181	Same Family
[P10721, P16234]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P10721	P16234	4.958607314841775	5.638272163982407	0.6796648491406323	Same Family
[P10721, P16234]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P16234	4.327902142064283	5.853871964321762	1.525969822257479	Same Family
[P10721, P16234]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P10721	P16234	8.017728766960431	9.619788758288394	1.6020599913279625	Same Family
[P10721, P16234]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P10721	P16234	5.636636395486714	6.7035786584344494	1.0669422629477356	Same Family
[P10721, P16234]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P10721	P16234	6.638272163982407	6.4089353929735005	0.22933677100890648	Same Family
[P10721, P16234]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P10721	P16234	6.221848749616356	6.823908740944319	0.6020599913279625	Same Family
[P10721, P16234]	CC=CC(=O)NCc1ccc(cc1)C(=O)Nc2ccc(c(c2)Nc3nccc(n3)c4cccnc4)C	P10721	P16234	5.326979092871104	5.31069114087638	0.016287951994724104	Same Family
[P10721, P16234]	CCN(CC)CCCNc1c2c(c3c4cc(ccc4n(c3c(c2ccn1)C)C)O)C	P10721	P16234	5.522878745280337	5.698970004336019	0.17609125905568135	Same Family
[P10721, P16234]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P10721	P16234	8.920818753952375	8.113509274827518	0.8073094791248572	Same Family
[P10721, P16234]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P10721	P16234	8.102372908709558	8.207608310501746	0.10523540179218749	Same Family
[P10721, P16234]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P10721	P16234	6.051587034221399	6.172630726946175	0.12104369272477644	Same Family
[P10721, P16234]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P10721	P16234	6.698970004336019	5.0	1.6989700043360187	Same Family
[P10721, P16234]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P10721	P16234	5.82131076022441	5.892790030352131	0.07147927012772115	Same Family
[P10721, P16234]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=NCC4CCCCC4)S	P10721	P16234	6.815308569182402	7.431798275933005	0.6164897067506034	Same Family
[P10721, P16234]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)NC4CCCCC4	P10721	P16234	7.568636235841013	8.154901959985743	0.58626572414473	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=NC4CCCCC4)S	P10721	P16234	7.161150909262744	7.3979400086720375	0.23678909940929316	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)NC4CCCCC4	P10721	P16234	7.657577319177793	7.920818753952375	0.2632414347745815	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)OCCC4CCCCC4	P10721	P16234	7.096910013008056	7.7447274948966935	0.6478174818886373	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)Oc4ccccc4	P10721	P16234	7.721246399047171	8.301029995663981	0.5797835966168101	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)C4CCCCC4	P10721	P16234	6.632644078973981	7.823908740944319	1.1912646619703375	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4	P10721	P16234	6.694648630553377	7.552841968657781	0.858193338104404	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)c4ccccc4Cl	P10721	P16234	6.195860567664649	8.301029995663981	2.105169427999332	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P10721	P16234	8.4089353929735	7.5638373529592435	0.8450980400142569	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P10721	P16234	8.66354026615147	7.803271277376713	0.8602689887747568	Same Family
[P10721, P16234]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P10721	P16234	6.789146634685107	6.673050005834001	0.11609662885110605	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P10721	P16234	7.050609993355087	6.982966660701219	0.06764333265386746	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)SC	P10721	P16234	7.1487416512809245	7.026872146400302	0.12186950488062287	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Br	P10721	P16234	7.008773924307505	7.013228265733755	0.004454341426249897	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P10721	P16234	7.096910013008056	7.070581074285707	0.026328938722349093	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)F	P10721	P16234	6.991399828238082	6.886056647693163	0.10534318054491898	Same Family
[P10721, P16234]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P10721	P16234	7.142667503568732	7.017728766960432	0.1249387366082999	Same Family
[P10721, P16234]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P10721	P16234	6.3979400086720375	6.698970004336019	0.30102999566398125	Same Family
[P10721, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P16234	5.718591958885132	5.943095148663527	0.22450318977839512	Same Family
[P10721, P16234]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C)C	P10721	P16234	7.3979400086720375	7.2839966563652006	0.11394335230683694	Same Family
[P10721, P16234]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4cn(nc4c3)C)C	P10721	P16234	7.214670164989233	7.1249387366083	0.08973142838093295	Same Family
[P10721, P16234]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	P16234	6.823908740944319	7.920818753952375	1.0969100130080562	Same Family
[P10721, P16234]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P10721	P16234	5.880084589742009	6.182434630440219	0.3023500406982098	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P10721	P16234	8.001740661576301	7.585695311871668	0.4160453497046328	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P10721	P16234	7.260111344915457	8.086186147616283	0.826074802700826	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	P16234	7.488116639021126	7.076393356982541	0.41172328203858477	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=C	P10721	P16234	7.080921907623926	8.657577319177793	1.5766554115538671	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=CCN(C)C	P10721	P16234	5.038531444649213	8.853871964321762	3.8153405196725485	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl	P10721	P16234	6.610833915635467	6.856985199745905	0.24615128411043763	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN	P10721	P16234	6.103473782510445	5.812479279163537	0.2909945033469077	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CNC(=O)C(=C)C	P10721	P16234	5.562249437179612	5.386158178123931	0.17609125905568135	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CNC(=O)CCl	P10721	P16234	6.103473782510445	5.966576244513051	0.13689753799739446	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NC(=O)C(C)Cl	P10721	P16234	5.0	6.733298033115912	1.7332980331159122	Same Family
[P10721, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NC(=O)CCl	P10721	P16234	6.306643530570701	7.785156151952302	1.4785126213816007	Same Family
[P10721, P16234]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P16234	7.130768280269024	7.1487416512809245	0.017973371011900774	Same Family
[P10721, P16234]	Cc1cccc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P16234	7.060480747381382	7.096910013008056	0.03642926562667448	Same Family
[P10721, P16234]	Cc1ccccc1C(=O)NC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	P10721	P16234	6.205511953340831	8.221848749616356	2.0163367962755254	Same Family
[P10721, P16234]	Cc1ccccc1C(=O)NC(=O)Nc2ccc(cc2)Oc3ccnc4c3cc(c(c4)OC)OC	P10721	P16234	6.496647206538674	8.258563208195623	1.7619160016569495	Same Family
[P10721, P16234]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P10721	P16234	7.080921907623926	7.142667503568732	0.061745595944805665	Same Family
[P10721, P16234]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P10721	P16234	7.142667503568732	7.022276394711152	0.12039110885757953	Same Family
[P10721, P16234]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)F	P10721	P16234	7.017728766960432	6.853871964321762	0.1638568026386702	Same Family
[P10721, P16234]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P10721	P16234	7.113509274827518	7.0655015487564325	0.048007726071085166	Same Family
[P10721, P16234]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	P16234	6.173925197299173	6.045757490560675	0.1281677067384983	Same Family
[P10721, P16234]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Oc3c4cn[nH]c4ncn3	P10721	P16234	6.294992040666664	6.651695136951839	0.35670309628517494	Same Family
[P10721, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P16234	8.0	8.920818753952375	0.9208187539523749	Same Family
[P10721, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P16234	5.200659450546418	6.096910013008056	0.8962505624616384	Same Family
[P00533, P10721]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P10721	P00533	6.698970004336019	5.586700235918748	1.1122697684172707	Different Family
[P00533, P10721]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P00533	8.522878745280337	5.112945621949043	3.409933123331294	Different Family
[P00533, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P10721	P00533	8.028724151261894	6.276216063034671	1.7525080882272235	Different Family
[P00533, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P10721	P00533	8.285285367809106	5.52432881167557	2.760956556133536	Different Family
[P00533, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P00533	5.718591958885132	6.045757490560675	0.32716553167554263	Different Family
[P00533, P10721]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P00533	6.347077112432058	7.0455162828444475	0.6984391704123896	Different Family
[P00533, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P10721	P00533	6.537602002101044	6.42021640338319	0.11738559871785448	Different Family
[P00533, P10721]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P10721	P00533	6.196542884351586	7.086186147616283	0.8896432632646976	Different Family
[P00533, P10721]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	P00533	4.731828116375324	3.721246399047171	1.0105817173281526	Different Family
[P00533, P10721]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P10721	P00533	8.221848749616356	5.403402904373539	2.8184458452428167	Different Family
[P00533, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	P00533	6.173925197299173	5.638272163982407	0.5356530333167662	Different Family
[P00533, P10721]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P10721	P00533	6.488678244082297	6.23495017809705	0.25372806598524633	Different Family
[P00533, P10721]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P00533	5.200659450546418	5.2839966563652006	0.08333720581878268	Different Family
[P00533, P10721]	c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4	P10721	P00533	6.154901959985743	6.339419087572701	0.18451712758695749	Different Family
[P07949, P10721]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P10721	P07949	6.531652669587842	6.006123085058789	0.5255295845290533	Different Family
[P07949, P10721]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P10721	P07949	6.221848749616356	7.180456064458132	0.9586073148417755	Different Family
[P07949, P10721]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P10721	P07949	8.619788758288394	8.886056647693163	0.2662678894047694	Different Family
[P07949, P10721]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P10721	P07949	6.051587034221399	8.154901959985743	2.1033149257643444	Different Family
[P07949, P10721]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P10721	P07949	5.82131076022441	9.0	3.17868923977559	Different Family
[P07949, P10721]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P07949	6.39040559077478	7.508638306165727	1.1182327153909473	Different Family
[P07949, P10721]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P10721	P07949	6.3979400086720375	6.769551078621726	0.3716110699496884	Different Family
[P07949, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P07949	5.718591958885132	6.017728766960431	0.29913680807529897	Different Family
[P07949, P10721]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P07949	7.795880017344075	5.721246399047171	2.074633618296904	Different Family
[P07949, P10721]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P10721	P07949	5.880084589742009	7.958607314841775	2.0785227250997655	Different Family
[P07949, P10721]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	P07949	8.539677499296605	7.529090297916843	1.0105872013797619	Different Family
[P07949, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P07949	5.154901959985743	5.221848749616356	0.06694678963061307	Different Family
[P07949, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P07949	6.102372908709558	5.431798275933005	0.6705746327765532	Different Family
[P07949, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	P07949	6.173925197299173	8.096910013008056	1.9229848157088831	Different Family
[P07949, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P07949	5.657577319177793	5.309803919971486	0.34777339920630723	Different Family
[P07949, P10721]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P07949	5.200659450546418	5.481486060122113	0.28082660957569505	Different Family
[P07949, P10721]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P07949	5.259637310505756	5.096910013008056	0.16272729749769965	Different Family
[P10721, Q96GD4]	C=CC(=O)N1CCN(CC1)c2ccc(cc2)C=C3c4ccccc4NC3=O	P10721	Q96GD4	6.892790030352131	5.656591406196143	1.2361986241559881	Different Group
[P10721, Q96GD4]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P10721	Q96GD4	7.27531461176264	7.828566099056991	0.553251487294351	Different Group
[P10721, Q96GD4]	CCc1ccc(cc1)c2ccc3c(c2)-c4c(cn[nH]4)S(=O)(=O)N3C	P10721	Q96GD4	5.552841968657781	5.292429823902063	0.2604121447557173	Different Group
[P10721, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	Q96GD4	6.39040559077478	6.651516179627988	0.26111058885320837	Different Group
[P10721, Q96GD4]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	P10721	Q96GD4	4.497572880015567	5.064492734175287	0.5669198541597202	Different Group
[P10721, Q96GD4]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P10721	Q96GD4	7.90031935889075	7.5386515663520175	0.36166779253873216	Different Group
[P10721, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P10721	Q96GD4	7.853871964321762	9.397940008672037	1.5440680443502757	Different Group
[P10721, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P10721	Q96GD4	8.368556230986828	8.073657553374344	0.29489867761248334	Different Group
[P10721, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P10721	Q96GD4	7.566870482419515	7.9503943874050265	0.3835239049855117	Different Group
[P10721, Q96GD4]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	Q96GD4	4.731828116375324	6.040958607678906	1.3091304913035824	Different Group
[P10721, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P10721	Q96GD4	7.636806309385258	8.1436373878009	0.5068310784156429	Different Group
[P10721, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	Q96GD4	8.0	8.638272163982407	0.6382721639824069	Different Group
[P10721, Q96GD4]	c1ccc2c(c1)C(=Cc3ccc(cc3)N4CCN(CC4)C(=O)CCCl)C(=O)N2	P10721	Q96GD4	7.1487416512809245	6.231361898752386	0.9173797525285385	Different Group
[P06239, P10721]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P10721	P06239	8.522878745280337	8.522878745280337	0.0	Different Family
[P06239, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P10721	P06239	8.0	7.187086643357144	0.8129133566428557	Different Family
[P06239, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P10721	P06239	7.698970004336019	5.698970004336019	2.0	Different Family
[P06239, P10721]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P10721	P06239	7.698970004336019	6.698970004336019	1.0	Different Family
[P06239, P10721]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P10721	P06239	5.552841968657781	6.496981022501341	0.9441390538435606	Different Family
[P06239, P10721]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P10721	P06239	7.3872161432802645	5.4089353929735005	1.978280750306764	Different Family
[P06239, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P10721	P06239	5.978810700930062	6.244887733604929	0.2660770326748674	Different Family
[P06239, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P10721	P06239	7.3872161432802645	7.0915149811213505	0.29570116215891407	Different Family
[P06239, P10721]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P06239	6.39040559077478	6.809668301829708	0.4192627110549285	Different Family
[P06239, P10721]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P10721	P06239	7.522878745280337	5.943095148663527	1.5797835966168101	Different Family
[P06239, P10721]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	P06239	9.744727494896694	8.655607726314889	1.0891197685818046	Different Family
[P06239, P10721]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P10721	P06239	7.920818753952375	4.931814138253839	2.989004615698536	Different Family
[P06239, P10721]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P10721	P06239	7.853871964321762	8.638272163982407	0.7844001996606451	Different Family
[P06239, P10721]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P06239	6.739928612014925	5.346787486224656	1.3931411257902688	Different Family
[P06239, P10721]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P10721	P06239	6.326979092871103	6.966576244513051	0.6395971516419472	Different Family
[P06239, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P06239	5.718591958885132	6.212221349969987	0.4936293910848546	Different Family
[P06239, P10721]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P06239	7.795880017344075	3.3010299956639813	4.494850021680094	Different Family
[P06239, P10721]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P10721	P06239	5.880084589742009	6.711541522017397	0.8314569322753878	Different Family
[P06239, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P10721	P06239	8.001740661576301	4.95663772197887	3.045102939597431	Different Family
[P06239, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P10721	P06239	7.260111344915457	5.839231438138872	1.4208799067765856	Different Family
[P06239, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	P06239	7.488116639021126	4.350470434052181	3.137646204968944	Different Family
[P06239, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P10721	P06239	8.221848749616356	4.698970004336019	3.5228787452803374	Different Family
[P06239, P10721]	Cn1c2c(cc(c1=O)Sc3ccc(cc3)F)cnc(n2)Nc4ccc5c(c4)cc[nH]5	P10721	P06239	5.211266141172293	5.093557206182967	0.11770893498932544	Different Family
[P06239, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P06239	5.154901959985743	5.2839966563652006	0.12909469637945747	Different Family
[P06239, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P06239	6.102372908709558	5.522878745280337	0.5794941634292208	Different Family
[P06239, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	P06239	6.173925197299173	6.161150909262744	0.012774288036428771	Different Family
[P06239, P10721]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P10721	P06239	6.987162775294828	4.67487447378307	2.3122883015117583	Different Family
[P06239, P10721]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P06239	8.0	8.481486060122112	0.48148606012211204	Different Family
[P06239, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P06239	5.657577319177793	5.698970004336019	0.04139268515822536	Different Family
[P06239, P10721]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P06239	5.200659450546418	5.251811972993799	0.05115252244738144	Different Family
[P10721, Q16539]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P10721	Q16539	6.267606240177032	6.638272163982407	0.3706659238053751	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	P10721	Q16539	6.628932137728264	8.0	1.3710678622717358	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P10721	Q16539	6.537602002101044	7.301029995663981	0.7634279935629369	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	P10721	Q16539	6.115771230367396	6.649751981665837	0.5339807512984409	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	P10721	Q16539	6.308918507877031	7.292429823902063	0.983511316025032	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	P10721	Q16539	6.621602099051862	7.468521082957745	0.8469189839058826	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	P10721	Q16539	6.375717904164332	7.494850021680094	1.119132117515762	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	P10721	Q16539	6.6020599913279625	7.823908740944319	1.2218487496163561	Different Group
[P10721, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P10721	Q16539	6.196542884351586	6.853871964321762	0.6573290799701761	Different Group
[P10721, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	Q16539	6.173925197299173	5.318758762624412	0.8551664346747607	Different Group
[P10721, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	Q16539	8.0	7.958607314841775	0.04139268515822536	Different Group
[P10721, P12931]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P10721	P12931	8.522878745280337	8.698970004336019	0.17609125905568135	Different Family
[P10721, P12931]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P10721	P12931	7.585026652029182	4.517126416391246	3.0679002356379357	Different Family
[P10721, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P10721	P12931	6.267606240177032	6.537602002101044	0.26999576192401253	Different Family
[P10721, P12931]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P10721	P12931	7.522878745280337	6.142667503568732	1.3802112417116055	Different Family
[P10721, P12931]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P12931	7.795880017344075	5.262012673666569	2.533867343677506	Different Family
[P10721, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P12931	5.718591958885132	5.771086594005312	0.05249463512017982	Different Family
[P10721, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P12931	7.795880017344075	4.301029995663981	3.4948500216800937	Different Family
[P10721, P12931]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	P12931	8.539677499296605	8.522878745280337	0.016798754016267736	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	P10721	P12931	6.628932137728264	7.455931955649724	0.8269998179214602	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	P10721	P12931	6.115771230367396	6.467245621007502	0.35147439064010655	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	P10721	P12931	6.308918507877031	7.443697499232713	1.1347789913556818	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	P10721	P12931	6.621602099051862	7.7447274948966935	1.1231253958448315	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	P10721	P12931	6.375717904164332	7.42021640338319	1.0444984992188582	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	P10721	P12931	6.6020599913279625	7.522878745280337	0.9208187539523749	Different Family
[P10721, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P10721	P12931	6.196542884351586	7.806091604354698	1.6095487200031124	Different Family
[P10721, P12931]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	P12931	4.731828116375324	6.920818753952375	2.188990637577051	Different Family
[P10721, P12931]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P10721	P12931	8.221848749616356	5.11690664142431	3.104942108192046	Different Family
[P10721, P12931]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P10721	P12931	7.769551078621726	5.0726296369609765	2.6969214416607494	Different Family
[P10721, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P12931	5.154901959985743	5.337242168318426	0.1823402083326826	Different Family
[P10721, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P12931	6.102372908709558	5.6020599913279625	0.5003129173815957	Different Family
[P10721, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P12931	8.0	8.102372908709558	0.10237290870955817	Different Family
[P10721, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P12931	5.657577319177793	5.337242168318426	0.3203351508593677	Different Family
[P10721, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P12931	5.200659450546418	5.3979400086720375	0.19728055812561962	Different Family
[P10721, P12931]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P10721	P12931	4.581698708680254	5.698970004336019	1.1172712956557644	Different Family
[P10721, P12931]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P10721	P12931	3.272458742971444	2.9956786262173574	0.2767801167540864	Different Family
[P10721, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P10721	P35968	6.531652669587842	5.609418121449565	0.9222345481382774	Different Family
[P10721, P35968]	CC(C)(C)c1ccc(cc1)Nc2ccc(cc2)Oc3ccnc4c3cc(c(c4)OCCNCCO)OC	P10721	P35968	7.0	7.080921907623926	0.08092190762392626	Different Family
[P10721, P35968]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P10721	P35968	7.27531461176264	8.300162274132754	1.0248476623701137	Different Family
[P10721, P35968]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P10721	P35968	7.2441251443275085	8.096910013008056	0.8527848686805477	Different Family
[P10721, P35968]	CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P35968	4.0	4.086186147616283	0.08618614761628329	Different Family
[P10721, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P10721	P35968	4.958607314841775	5.366531544420414	0.40792422957863916	Different Family
[P10721, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P10721	P35968	4.327902142064283	4.031517051446065	0.2963850906182177	Different Family
[P10721, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P10721	P35968	8.017728766960431	9.309803919971486	1.292075153011055	Different Family
[P10721, P35968]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P10721	P35968	5.869964306007462	5.8191360819912035	0.05082822401625897	Different Family
[P10721, P35968]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P10721	P35968	5.636636395486714	6.38812227317138	0.751485877684666	Different Family
[P10721, P35968]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P10721	P35968	6.638272163982407	6.161150909262744	0.4771212547196626	Different Family
[P10721, P35968]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P10721	P35968	6.221848749616356	8.571333751784366	2.3494850021680094	Different Family
[P10721, P35968]	CCCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P10721	P35968	7.1249387366083	7.079633382694096	0.04530535391420365	Different Family
[P10721, P35968]	CCCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	P35968	7.086186147616283	7.585026652029182	0.4988405044128985	Different Family
[P10721, P35968]	CCN(CC)CC(CNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C)O	P10721	P35968	8.387216143280265	8.602059991327963	0.21484384804769796	Different Family
[P10721, P35968]	CCN(CC)CCCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P10721	P35968	8.00436480540245	8.568636235841012	0.5642714304385628	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4c(cccc4F)NC3=O)C	P10721	P35968	7.3655227298392685	7.823908740944319	0.4583860111050502	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Br)C	P10721	P35968	8.638272163982407	8.4089353929735	0.22933677100890648	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C(=O)OC)C	P10721	P35968	6.592269271973665	6.776763726897002	0.18449445492333716	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)C)C	P10721	P35968	8.387216143280265	8.638272163982407	0.2510560207021424	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)Cl)C	P10721	P35968	8.568636235841012	8.585026652029182	0.01639041618816961	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P10721	P35968	8.619788758288394	8.638272163982407	0.0184834056940133	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)OC)C	P10721	P35968	7.449771646944906	7.609064892896621	0.1592932459517149	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)S(=O)(=O)N(CC)CC)C	P10721	P35968	6.400553624274724	6.481091426308586	0.08053780203386207	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C	P10721	P35968	8.161150909262744	7.590066876668706	0.5710840325940385	Different Family
[P10721, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cccc(c4NC3=O)F)C	P10721	P35968	6.742801573860656	6.949233688766958	0.20643211490630176	Different Family
[P10721, P35968]	CCN(CC)CCOc1ccc(c2c1[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	P35968	7.214670164989233	7.455931955649724	0.24126179066049147	Different Family
[P10721, P35968]	CCN(Cc1ccc(s1)c2c3c(n[nH]2)-c4ccc(cc4C3)CN5CCN(CC5)C)C(=O)Nc6cccc(c6)C	P10721	P35968	5.6595558851598815	7.346787486224656	1.6872316010647745	Different Family
[P10721, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P10721	P35968	6.051587034221399	7.619788758288394	1.568201724066995	Different Family
[P10721, P35968]	CCOC(=O)c1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	P35968	7.366531544420414	6.537602002101044	0.8289295423193694	Different Family
[P10721, P35968]	CCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	P35968	7.552841968657781	7.585026652029182	0.032184683371401235	Different Family
[P10721, P35968]	CCc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.376750709602099	8.221848749616356	0.8450980400142569	Different Family
[P10721, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P10721	P35968	5.552841968657781	6.039338878208089	0.48649690955030866	Different Family
[P10721, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P10721	P35968	6.440332721611942	6.265520210574422	0.17481251103752005	Different Family
[P10721, P35968]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P10721	P35968	6.698970004336019	4.679853713888946	2.019116290447073	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P10721	P35968	5.82131076022441	7.6777807052660805	1.8564699450416704	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P10721	P35968	7.585026652029182	7.809894379144197	0.22486772711501501	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cc(cc(c6)Cl)Cl	P10721	P35968	7.42021640338319	7.102372908709558	0.3178434946736317	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6ccc(cc6)C(F)(F)F	P10721	P35968	7.886056647693163	6.55129368009492	1.3347629675982429	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6cccc(c6)C(F)(F)F	P10721	P35968	7.769551078621726	7.468521082957745	0.30102999566398125	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6ccccc6C(F)(F)F	P10721	P35968	4.622894182730946	5.54030602352203	0.9174118407910834	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(s5)CNC(=O)Nc6ccccc6Cl	P10721	P35968	6.035740369803151	6.701146923590294	0.6654065537871423	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3n[nH]c4c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)OC(F)(F)F	P10721	P35968	7.251811972993799	7.1150898711182045	0.13672210187559486	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(c(c6)Cl)Cl)C3	P10721	P35968	7.552841968657781	7.7447274948966935	0.19188552623891297	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Br)C3	P10721	P35968	7.769551078621726	7.721246399047171	0.048304679574554754	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)Cl)C3	P10721	P35968	7.443697499232713	7.6777807052660805	0.2340832060333673	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)F)C3	P10721	P35968	7.229147988357856	7.795880017344075	0.5667320289862188	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6ccc(cc6)OC(F)(F)F)C3	P10721	P35968	7.721246399047171	7.769551078621726	0.048304679574554754	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)Cl)C3	P10721	P35968	7.42021640338319	7.920818753952375	0.500602350569185	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccc(s5)CNC(=O)Nc6ccccc6)C3	P10721	P35968	6.995678626217358	6.735182176990463	0.26049644922689463	Different Family
[P10721, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P10721	P35968	6.838631997765025	6.7447274948966935	0.09390450286833119	Different Family
[P10721, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P35968	6.39040559077478	6.364516253185088	0.025889337589691586	Different Family
[P10721, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P10721	P35968	6.267606240177032	7.926935982160881	1.659329741983849	Different Family
[P10721, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	P35968	9.744727494896694	7.403512866263456	2.341214628633238	Different Family
[P10721, P35968]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P10721	P35968	7.920818753952375	8.048455006504028	0.12763625255165323	Different Family
[P10721, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5	P10721	P35968	6.017276612331455	7.4089353929735005	1.3916587806420457	Different Family
[P10721, P35968]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P10721	P35968	6.280555225880322	7.5808540301842715	1.3002988043039494	Different Family
[P10721, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cc(cc4)O	P10721	P35968	5.568636235841013	6.0	0.4313637641589869	Different Family
[P10721, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P10721	P35968	6.045757490560675	5.638272163982407	0.40748532657826786	Different Family
[P10721, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3ccc(cc3)O	P10721	P35968	6.3979400086720375	5.657577319177793	0.7403626894942441	Different Family
[P10721, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3cccc(c3)Cl	P10721	P35968	5.619788758288394	4.251811972993799	1.3679767852945943	Different Family
[P10721, P35968]	COc1cc(ccc1Cl)Nc2c3ccccc3c(nn2)Cc4ccncc4	P10721	P35968	5.455931955649724	6.853871964321762	1.3979400086720375	Different Family
[P10721, P35968]	COc1cc(ccc1O)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P10721	P35968	6.698970004336019	6.698970004336019	0.0	Different Family
[P10721, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35968	8.522878745280337	7.920818753952375	0.6020599913279625	Different Family
[P10721, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)NC4CCCCC4	P10721	P35968	7.568636235841013	6.0	1.568636235841013	Different Family
[P10721, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35968	7.795880017344075	8.221848749616356	0.42596873227228116	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P10721	P35968	7.346787486224656	6.251811972993799	1.0949755132308567	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P10721	P35968	8.4089353929735	7.813326132500255	0.5956092604732453	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P10721	P35968	8.39577394691553	7.184289460211037	1.2114844867044923	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P10721	P35968	8.66354026615147	7.152365655681745	1.511174610469725	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P10721	P35968	6.789146634685107	6.677367288307777	0.11177934637732978	Different Family
[P10721, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P10721	P35968	8.028724151261894	7.014663358264388	1.0140607929975065	Different Family
[P10721, P35968]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P10721	P35968	7.90031935889075	8.73754891026957	0.8372295513788206	Different Family
[P10721, P35968]	COc1cccc(c1)c2c[nH]c(=O)c(n2)c3cc(c(c(c3)OC)OC)OC	P10721	P35968	5.130768280269024	4.638272163982407	0.4924961162866168	Different Family
[P10721, P35968]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P35968	7.4179366370882915	7.033389013318065	0.3845476237702261	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCC(CC5)N6CCCCC6	P10721	P35968	8.10790539730952	8.096910013008056	0.010995384301462963	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCCC5CN6CCCC6	P10721	P35968	8.070581074285707	7.928117992693875	0.14246308159183219	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)N5CCOCC5	P10721	P35968	8.67778070526608	8.958607314841775	0.28082660957569416	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCCC5	P10721	P35968	7.97061622231479	8.42021640338319	0.4496001810683996	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCCN5CCOCC5	P10721	P35968	8.244125144327509	9.0	0.7558748556724915	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN(C)C	P10721	P35968	8.18045606445813	8.522878745280337	0.3424226808222066	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCC5	P10721	P35968	8.130768280269024	8.013228265733755	0.11754001453526897	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCCCC5	P10721	P35968	8.236572006437063	8.366531544420413	0.1299595379833498	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCN5CCOCC5	P10721	P35968	8.698970004336019	8.795880017344075	0.09691001300805624	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCO	P10721	P35968	8.853871964321762	8.958607314841775	0.10473535052001282	Different Family
[P10721, P35968]	Cc1c(c2c([nH]1)C(=C3c4cc(ccc4NC3=O)F)CCC2)C(=O)NCCc5ccccn5	P10721	P35968	7.423658649794207	7.943095148663527	0.5194364988693199	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(cc(c4)Cl)Cl	P10721	P35968	6.756961951313706	6.795880017344075	0.0389180660303694	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P35968	6.739928612014925	7.263621775341393	0.5236931633264685	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Br	P10721	P35968	7.318758762624412	6.920818753952375	0.3979400086720375	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P10721	P35968	7.5376020021010435	7.017728766960432	0.5198732351406115	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P10721	P35968	7.481486060122113	7.2839966563652006	0.19748940375691237	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)OC	P10721	P35968	7.823908740944319	7.161150909262744	0.6627578316815743	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35968	7.301029995663981	7.337242168318426	0.03621217265444443	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F	P10721	P35968	6.853871964321762	7.6419983281826	0.7881263638608385	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Cl	P10721	P35968	7.657577319177793	7.5043869621537524	0.15319035702404094	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)F	P10721	P35968	7.568636235841013	7.267606240177032	0.30102999566398125	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)OC	P10721	P35968	7.721246399047171	7.468521082957745	0.2527253160894265	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4	P10721	P35968	7.494850021680094	7.721848749616356	0.2269987279362624	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4Cl	P10721	P35968	6.958607314841775	6.468521082957745	0.49008623188403	Different Family
[P10721, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4OC	P10721	P35968	7.301029995663981	6.958607314841775	0.3424226808222066	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P10721	P35968	7.050609993355087	7.142667503568732	0.09205751021364517	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)SC	P10721	P35968	7.1487416512809245	7.292429823902063	0.14368817262113875	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Br	P10721	P35968	7.008773924307505	7.1938200260161125	0.18504610170860758	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P10721	P35968	7.096910013008056	7.6020599913279625	0.5051499783199063	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)F	P10721	P35968	6.991399828238082	7.107905397309519	0.11650556907143717	Different Family
[P10721, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P10721	P35968	7.142667503568732	7.42021640338319	0.27754889981445796	Different Family
[P10721, P35968]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P10721	P35968	8.364516253185087	6.371182096742968	1.9933341564421188	Different Family
[P10721, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P35968	5.718591958885132	5.375717904164332	0.34287405472080046	Different Family
[P10721, P35968]	Cc1cc(c-2ccccc(c12)OCCN3CCCC3CO)C=C4c5cc(ccc5NC4=O)F	P10721	P35968	7.356547323513813	6.730487055782084	0.6260602677317291	Different Family
[P10721, P35968]	Cc1cc(cc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C	P10721	P35968	7.568636235841013	7.200659450546419	0.3679767852945943	Different Family
[P10721, P35968]	Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C)C	P10721	P35968	7.721246399047171	7.920818753952375	0.19957235490520375	Different Family
[P10721, P35968]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C)C	P10721	P35968	7.3979400086720375	7.6777807052660805	0.279840696594043	Different Family
[P10721, P35968]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4cn(nc4c3)C)C	P10721	P35968	7.214670164989233	7.552841968657781	0.3381718036685477	Different Family
[P10721, P35968]	Cc1cc(ccc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	8.0	8.221848749616356	0.22184874961635614	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	P35968	6.823908740944319	8.98052465851433	2.1566159175700115	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P10721	P35968	6.619788758288394	8.443697499232712	1.8239087409443187	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(n3)sc(n4)NC(=O)C5CC5	P10721	P35968	6.769551078621726	8.886056647693163	2.116505569071437	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P10721	P35968	7.6777807052660805	8.958607314841775	1.2808266095756942	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P10721	P35968	7.638272163982407	9.106615286088541	1.468343122106134	Different Family
[P10721, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	P35968	6.886056647693163	8.958607314841775	2.0725506671486116	Different Family
[P10721, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P10721	P35968	8.154901959985743	7.887345359137068	0.2675566008486747	Different Family
[P10721, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P35968	7.795880017344075	8.349680610785484	0.5538005934414088	Different Family
[P10721, P35968]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P10721	P35968	6.185419483989682	6.415555692834824	0.23013620884514197	Different Family
[P10721, P35968]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P10721	P35968	7.568636235841013	6.982966660701219	0.5856695751397938	Different Family
[P10721, P35968]	Cc1ccc(cc1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	7.619788758288394	6.511449283499556	1.1083394747888375	Different Family
[P10721, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	P35968	7.080921907623926	7.275724130399211	0.19480222277528458	Different Family
[P10721, P35968]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.769551078621726	7.920818753952375	0.151267675330649	Different Family
[P10721, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P10721	P35968	5.880084589742009	5.795880017344075	0.08420457239793411	Different Family
[P10721, P35968]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P35968	6.347077112432058	6.27417000967942	0.07290710275263823	Different Family
[P10721, P35968]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	P35968	8.539677499296605	8.56804131152107	0.02836381222446427	Different Family
[P10721, P35968]	Cc1ccc(cc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.376750709602099	7.381228130928562	0.004477421326463116	Different Family
[P10721, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=C	P10721	P35968	7.080921907623926	5.522878745280337	1.5580431623435889	Different Family
[P10721, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=CCN(C)C	P10721	P35968	5.038531444649213	5.346787486224656	0.30825604157544273	Different Family
[P10721, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P35968	7.130768280269024	7.97325923198876	0.8424909517197365	Different Family
[P10721, P35968]	Cc1cccc(c1)N(C)C(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	4.571136591700744	5.127377620974712	0.5562410292739681	Different Family
[P10721, P35968]	Cc1cccc(c1)N(C)C(=O)NCc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	6.856985199745905	5.318125877871353	1.5388593218745523	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P10721	P35968	7.017728766960432	7.243124924959088	0.22539615799865587	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(C)Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	4.831649859814056	6.8171250099475555	1.9854751501334995	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(CCC(C)C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	5.314885530953461	6.581698708680254	1.2668131777267932	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C)C7CC7	P10721	P35968	6.866461091629782	7.222392297436963	0.3559312058071811	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)C(C)C	P10721	P35968	5.011173592954724	6.910094888560602	1.898921295605878	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)CC(C)C	P10721	P35968	4.763487930337172	6.785156151952302	2.02166822161513	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)N(Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C)OC	P10721	P35968	6.6252516539898965	6.586700235918748	0.03855141807114837	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P10721	P35968	7.161150909262744	7.1290304611354	0.03212044812734405	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	7.0655015487564325	7.025158654602398	0.04034289415403425	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)Cl)c3csc4c3c(ncn4)N	P10721	P35968	6.698970004336019	7.0	0.30102999566398125	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)F)c3csc4c3c(ncn4)N	P10721	P35968	7.568636235841013	7.958607314841775	0.38997107900076156	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)OC)c3csc4c3c(ncn4)N	P10721	P35968	6.7447274948966935	7.0	0.25527250510330646	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	P35968	8.045757490560675	8.372363747448347	0.326606256887672	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N	P10721	P35968	6.795880017344075	7.769551078621726	0.9736710612776509	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N(C)C	P10721	P35968	6.031517051446065	6.6777807052660805	0.6462636538200153	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)NC	P10721	P35968	6.3979400086720375	6.481486060122113	0.08354605145007543	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCCO	P10721	P35968	7.585026652029182	7.823908740944319	0.23888208891513685	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCN(C)C	P10721	P35968	6.0915149811213505	6.638272163982407	0.5467571828610565	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCO	P10721	P35968	7.431798275933005	7.721246399047171	0.2894481231141661	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCOC	P10721	P35968	6.443697499232713	7.1938200260161125	0.7501225267833993	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCN(CC5)C	P10721	P35968	6.096910013008056	6.229147988357856	0.13223797534979997	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCOCC5	P10721	P35968	6.236572006437063	6.6777807052660805	0.44120869882901737	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5cccnc5	P10721	P35968	6.102372908709558	7.468521082957745	1.3661481742481865	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5ccncc5	P10721	P35968	6.017728766960432	7.275724130399211	1.2579953634387788	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)Br	P10721	P35968	7.4089353929735005	8.0	0.5910646070264995	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)C	P10721	P35968	8.0	8.522878745280337	0.5228787452803374	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCN(CC5)C	P10721	P35968	6.537602002101044	5.920818753952375	0.6167832481486695	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCOCC5	P10721	P35968	6.3979400086720375	6.4089353929735005	0.010995384301462963	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)F	P10721	P35968	8.301029995663981	8.301029995663981	0.0	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OC	P10721	P35968	7.552841968657781	7.585026652029182	0.032184683371401235	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN(C)C	P10721	P35968	7.187086643357144	7.670517578667782	0.4834309353106381	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5	P10721	P35968	7.585026652029182	7.508638306165727	0.07638834586345489	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5=O	P10721	P35968	7.275724130399211	7.6020599913279625	0.32633586092875166	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCOCC5	P10721	P35968	7.301029995663981	7.46479633912994	0.16376634346595864	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCOC	P10721	P35968	7.494850021680094	7.7508447231052	0.25599470142510583	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.769551078621726	8.20446769648675	0.43491661786502434	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P10721	P35968	8.368556230986828	8.25770773535858	0.1108484956282485	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P10721	P35968	7.566870482419515	8.795880017344075	1.2290095349245602	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P10721	P35968	8.221848749616356	8.761439372640169	0.5395906230238126	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2Cl)c3csc4c3c(ncn4)N	P10721	P35968	7.267606240177032	7.080921907623926	0.18668433255310557	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2F)c3csc4c3c(ncn4)N	P10721	P35968	7.42021640338319	8.210108201691595	0.7898917983084051	Different Family
[P10721, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2OC)c3csc4c3c(ncn4)N	P10721	P35968	7.552841968657781	7.886056647693163	0.3332146790353825	Different Family
[P10721, P35968]	Cc1cccc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P35968	7.060480747381382	7.376750709602099	0.31626996222071746	Different Family
[P10721, P35968]	Cc1ccccc1NC(=O)N(C)Cc2ccc(s2)c3c4c(n[nH]3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	5.243363891754152	6.913640169325252	1.6702762775710998	Different Family
[P10721, P35968]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5cc(ccc5C4)CN6CCN(CC6)C	P10721	P35968	6.17134010346468	6.798602875679548	0.627262772214868	Different Family
[P10721, P35968]	Cc1ccccc1NC(=O)NCc2ccc(s2)c3c4c([nH]n3)-c5ccc(cc5C4)CN6CCN(CC6)C	P10721	P35968	5.857923538926715	6.35261702988538	0.49469349095866466	Different Family
[P10721, P35968]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	P35968	7.167491087293763	6.585026652029182	0.5824644352645816	Different Family
[P10721, P35968]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.0655015487564325	7.078695380194719	0.013193831438286452	Different Family
[P10721, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P10721	P35968	7.080921907623926	7.920818753952375	0.8398968463284486	Different Family
[P10721, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P10721	P35968	7.142667503568732	7.142667503568732	0.0	Different Family
[P10721, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)F	P10721	P35968	7.017728766960432	7.031517051446065	0.013788284485633184	Different Family
[P10721, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P10721	P35968	7.113509274827518	6.966576244513051	0.14693303031446714	Different Family
[P10721, P35968]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	P35968	4.731828116375324	6.552841968657781	1.8210138522824568	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)N	P10721	P35968	5.133122185662502	5.319664486585437	0.18654230092293567	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)C4CCCCC4	P10721	P35968	6.818156412055227	7.0655015487564325	0.24734513670120517	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)NC4CCCC4	P10721	P35968	6.070581074285707	6.815308569182402	0.7447274948966944	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P35968	6.823908740944319	6.933390271633753	0.10948153068943434	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P10721	P35968	7.698970004336019	7.173925197299173	0.5250448070368456	Different Family
[P10721, P35968]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccsc4	P10721	P35968	7.376750709602099	7.823908740944319	0.44715803134221943	Different Family
[P10721, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P10721	P35968	8.221848749616356	6.508638306165727	1.7132104434506292	Different Family
[P10721, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P10721	P35968	9.0	5.935542010773082	3.064457989226918	Different Family
[P10721, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P10721	P35968	7.769551078621726	7.958607314841775	0.18905623622004875	Different Family
[P10721, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P10721	P35968	7.958607314841775	7.7447274948966935	0.2138798199450811	Different Family
[P10721, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.161150909262744	7.443697499232713	0.28254658996996884	Different Family
[P10721, P35968]	c1cc(cc(c1)Cl)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.886056647693163	7.824875990832918	0.06118065686024465	Different Family
[P10721, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P35968	5.154901959985743	5.301029995663981	0.14612803567823818	Different Family
[P10721, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P35968	6.102372908709558	6.0	0.10237290870955817	Different Family
[P10721, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.823908740944319	7.638272163982407	0.18563657696191171	Different Family
[P10721, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P10721	P35968	7.636806309385258	8.649301437839775	1.0124951284545167	Different Family
[P10721, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P10721	P35968	7.7447274948966935	8.34948500216801	0.6047575072713158	Different Family
[P10721, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)C(F)(F)F	P10721	P35968	7.3872161432802645	7.747425010840047	0.3602088675597823	Different Family
[P10721, P35968]	c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.318758762624412	7.259637310505756	0.05912145211865649	Different Family
[P10721, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	P35968	6.173925197299173	6.356547323513812	0.18262212621463902	Different Family
[P10721, P35968]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	P35968	7.552841968657781	7.795880017344075	0.24303804868629442	Different Family
[P10721, P35968]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P10721	P35968	6.488678244082297	7.064240896254688	0.5755626521723913	Different Family
[P10721, P35968]	c1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	P35968	7.468521082957745	7.086186147616283	0.38233493534146135	Different Family
[P10721, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P35968	8.0	8.113509274827518	0.11350927482751771	Different Family
[P10721, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P35968	5.657577319177793	5.3872161432802645	0.27036117589752884	Different Family
[P10721, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P35968	5.200659450546418	5.1487416512809245	0.051917799265493336	Different Family
[P10721, P35968]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	7.356547323513813	7.1938200260161125	0.16272729749770054	Different Family
[P10721, P35968]	c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P10721	P35968	4.950781977329818	5.335358024443875	0.3845760471140567	Different Family
[P10721, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35968	9.0	7.040958607678906	1.9590413923210939	Different Family
[P10721, P35968]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P35968	7.853871964321762	8.096910013008056	0.24303804868629442	Different Family
[P10721, P35968]	c1ccc2c(c1)c(nnc2Nc3ccc(c(c3)C(F)(F)F)Cl)Cc4ccncc4	P10721	P35968	5.568636235841013	6.522878745280337	0.9542425094393243	Different Family
[P10721, P35968]	c1ccnc(c1)Nc2ncc(s2)CNc3cc(c(cc3F)F)C(=O)NC4CC4	P10721	P35968	6.431798275933005	7.518106086327222	1.0863078103942172	Different Family
[P10721, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P35968	5.259637310505756	5.187086643357144	0.07255066714861158	Different Family
[P04629, P10721]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P10721	P04629	8.087246696328677	8.777283528852417	0.6900368325237398	Different Family
[P04629, P10721]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P10721	P04629	5.552841968657781	7.7447274948966935	2.191885526238913	Different Family
[P04629, P10721]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P10721	P04629	7.3872161432802645	6.823908740944319	0.5633074023359459	Different Family
[P04629, P10721]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P04629	6.39040559077478	7.522878745280337	1.1324731545055577	Different Family
[P04629, P10721]	CS(=O)(=O)CCN1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P10721	P04629	6.6777807052660805	6.301029995663981	0.3767507096020992	Different Family
[P04629, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P04629	5.718591958885132	5.56431486205837	0.15427709682676216	Different Family
[P04629, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P04629	5.154901959985743	8.306939584650792	3.1520376246650486	Different Family
[P04629, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P04629	6.102372908709558	9.0	2.897627091290442	Different Family
[P04629, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P04629	5.657577319177793	6.070581074285707	0.41300375510791376	Different Family
[P04629, P10721]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P04629	5.259637310505756	8.522878745280337	3.2632414347745815	Different Family
[P04629, P10721]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P10721	P04629	3.272458742971444	3.3334820194451193	0.06102327647367556	Different Family
[O60674, P10721]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P10721	O60674	5.552841968657781	6.259637310505756	0.7067953418479753	Different Family
[O60674, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P10721	O60674	5.978810700930062	5.991399828238082	0.01258912730802031	Different Family
[O60674, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P10721	O60674	7.3872161432802645	7.301029995663981	0.08618614761628329	Different Family
[O60674, P10721]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P10721	O60674	6.267606240177032	5.920818753952375	0.34678748622465694	Different Family
[O60674, P10721]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	O60674	9.744727494896694	9.259637310505756	0.48509018439093765	Different Family
[O60674, P10721]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P10721	O60674	6.326979092871103	6.673664139071248	0.34668504620014495	Different Family
[O60674, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	O60674	5.718591958885132	5.940108206919151	0.22151624803401848	Different Family
[O60674, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	O60674	5.154901959985743	5.251811972993799	0.09691001300805624	Different Family
[O60674, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	O60674	6.102372908709558	5.568636235841013	0.5337366728685451	Different Family
[O60674, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	O60674	6.173925197299173	5.958607314841775	0.21531788245739847	Different Family
[O60674, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	O60674	5.657577319177793	5.327902142064283	0.32967517711351046	Different Family
[O60674, P10721]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	O60674	5.259637310505756	5.173925197299174	0.0857121132065819	Different Family
[P10721, P11362]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P10721	P11362	7.2441251443275085	6.790484985457369	0.4536401588701393	Different Family
[P10721, P11362]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P10721	P11362	6.39040559077478	7.327902142064283	0.9374965512895033	Different Family
[P10721, P11362]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	P11362	9.744727494896694	8.096910013008056	1.6478174818886373	Different Family
[P10721, P11362]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	P11362	6.823908740944319	5.568636235841013	1.2552725051033056	Different Family
[P10721, P11362]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	P11362	8.539677499296605	9.154901959985743	0.6152244606891379	Different Family
[P10721, P11362]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	P11362	7.130768280269024	6.853871964321762	0.27689631594726194	Different Family
[P10721, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P10721	P11362	6.537602002101044	6.0301183562535	0.507483645847544	Different Family
[P10721, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P10721	P11362	6.196542884351586	7.211124884224583	1.0145819998729975	Different Family
[P10721, P11362]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P11362	8.0	7.920818753952375	0.07918124604762511	Different Family
[P10721, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P11362	5.200659450546418	5.366531544420414	0.16587209387399593	Different Family
[P08581, P10721]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P10721	P08581	6.638272163982407	8.853871964321762	2.215599800339355	Different Family
[P08581, P10721]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P10721	P08581	8.087246696328677	6.438898616350944	1.6483480799777332	Different Family
[P08581, P10721]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P10721	P08581	6.440332721611942	8.91721462968355	2.476881908071607	Different Family
[P08581, P10721]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P10721	P08581	6.267606240177032	5.1938200260161125	1.0737862141609194	Different Family
[P08581, P10721]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P10721	P08581	7.522878745280337	4.863279432843593	2.659599312436744	Different Family
[P08581, P10721]	CNc1nccc(n1)c2ccc(s2)C(=O)NC(Cc3ccc(cc3Cl)Cl)CN	P10721	P08581	6.958607314841775	5.958607314841775	1.0	Different Family
[P08581, P10721]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	P08581	7.795880017344075	5.636388020107856	2.159491997236219	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4	P10721	P08581	6.694648630553377	8.698970004336019	2.004321373782642	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P10721	P08581	7.346787486224656	8.730487055782083	1.383699569557427	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P10721	P08581	8.4089353929735	9.229147988357855	0.8202125953843549	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P10721	P08581	8.39577394691553	8.98296666070122	0.58719271378569	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P10721	P08581	8.66354026615147	8.787812395596042	0.12427212944457189	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P10721	P08581	6.789146634685107	8.812479279163536	2.0233326444784296	Different Family
[P08581, P10721]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P10721	P08581	8.028724151261894	8.643974142806877	0.6152499915449834	Different Family
[P08581, P10721]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P08581	7.4179366370882915	8.847711655616944	1.4297750185286526	Different Family
[P08581, P10721]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P10721	P08581	8.364516253185087	8.667561540084394	0.303045286899307	Different Family
[P08581, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P08581	5.718591958885132	5.6860800803851195	0.03251187850001269	Different Family
[P08581, P10721]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P10721	P08581	6.185419483989682	8.939302159646388	2.7538826756567065	Different Family
[P08581, P10721]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P10721	P08581	6.347077112432058	8.856985199745905	2.509908087313847	Different Family
[P08581, P10721]	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	P10721	P08581	4.731828116375324	6.236572006437063	1.5047438900617394	Different Family
[P08581, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P08581	5.154901959985743	5.2441251443275085	0.08922318434176546	Different Family
[P08581, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P08581	6.102372908709558	5.366531544420414	0.7358413642891444	Different Family
[P08581, P10721]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P10721	P08581	6.488678244082297	8.774690718274137	2.28601247419184	Different Family
[P08581, P10721]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P08581	8.0	6.962573502059376	1.0374264979406238	Different Family
[P08581, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P08581	5.657577319177793	5.292429823902063	0.3651474952757301	Different Family
[P08581, P10721]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P08581	5.259637310505756	5.113509274827518	0.14612803567823818	Different Family
[P07948, P10721]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P10721	P07948	5.552841968657781	6.7447274948966935	1.191885526238913	Different Family
[P07948, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P10721	P07948	5.978810700930062	6.084072788302884	0.1052620873728225	Different Family
[P07948, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P10721	P07948	7.3872161432802645	7.167491087293763	0.21972505598650116	Different Family
[P07948, P10721]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	P07948	9.744727494896694	7.614036429399302	2.130691065497391	Different Family
[P07948, P10721]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P10721	P07948	6.326979092871103	6.690369832574102	0.3633907397029983	Different Family
[P07948, P10721]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P10721	P07948	5.718591958885132	5.856430705489719	0.1378387466045865	Different Family
[P07948, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P10721	P07948	8.001740661576301	4.8195873671616765	3.1821532944146247	Different Family
[P07948, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P10721	P07948	7.260111344915457	5.451733454829255	1.8083778900862022	Different Family
[P07948, P10721]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	P07948	7.488116639021126	4.342752870116284	3.1453637689048417	Different Family
[P07948, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P10721	P07948	5.154901959985743	5.309803919971486	0.15490195998574308	Different Family
[P07948, P10721]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P10721	P07948	6.102372908709558	5.468521082957745	0.6338518257518135	Different Family
[P07948, P10721]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P10721	P07948	8.0	8.397940008672037	0.3979400086720375	Different Family
[P07948, P10721]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P10721	P07948	5.657577319177793	5.1249387366083	0.5326385825694935	Different Family
[P07948, P10721]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P10721	P07948	5.200659450546418	5.853871964321762	0.653212513775344	Different Family
[P07948, P10721]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P10721	P07948	5.259637310505756	5.1938200260161125	0.06581728448964341	Different Family
[P10721, Q02763]	CCCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	Q02763	7.086186147616283	6.537602002101044	0.5485841455152389	Different Family
[P10721, Q02763]	CCOC(=O)c1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	Q02763	7.366531544420414	6.292429823902063	1.0741017205183505	Different Family
[P10721, Q02763]	CCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P10721	Q02763	7.552841968657781	6.468521082957745	1.084320885700036	Different Family
[P10721, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P10721	Q02763	7.585026652029182	5.337242168318426	2.247784483710756	Different Family
[P10721, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c([nH]n4)c5ccc(s5)CN(C)C(=O)Nc6cccc(c6)C(F)(F)F)C3	P10721	Q02763	7.7447274948966935	6.586700235918748	1.1580272589779455	Different Family
[P10721, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P10721	Q02763	6.838631997765025	4.320635707655532	2.517996290109493	Different Family
[P10721, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P10721	Q02763	7.522878745280337	5.497572880015567	2.0253058652647704	Different Family
[P10721, Q02763]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P10721	Q02763	9.744727494896694	6.142788157683108	3.6019393372135857	Different Family
[P10721, Q02763]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P10721	Q02763	7.920818753952375	5.0915149811213505	2.8293037728310244	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(cc(c4)Cl)Cl	P10721	Q02763	6.756961951313706	6.443697499232713	0.3132644520809924	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	Q02763	6.739928612014925	7.769551078621726	1.029622466606801	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Br	P10721	Q02763	7.318758762624412	5.958607314841775	1.3601514477826377	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P10721	Q02763	7.5376020021010435	5.920818753952375	1.6167832481486686	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P10721	Q02763	7.481486060122113	6.070581074285707	1.4109049858364058	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)OC	P10721	Q02763	7.823908740944319	5.795880017344075	2.0280287236002437	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P10721	Q02763	7.301029995663981	6.886056647693163	0.4149733479708182	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F	P10721	Q02763	6.853871964321762	7.0	0.14612803567823818	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Cl	P10721	Q02763	7.657577319177793	6.6777807052660805	0.9797966139117129	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)F	P10721	Q02763	7.568636235841013	6.3979400086720375	1.1706962271689756	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)OC	P10721	Q02763	7.721246399047171	6.443697499232713	1.277548899814458	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4	P10721	Q02763	7.494850021680094	5.920818753952375	1.5740312677277188	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4Cl	P10721	Q02763	6.958607314841775	6.045757490560675	0.9128498242810998	Different Family
[P10721, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4OC	P10721	Q02763	7.301029995663981	6.036212172654444	1.2648178230095368	Different Family
[P10721, Q02763]	Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C)C	P10721	Q02763	7.721246399047171	6.769551078621726	0.9516953204254452	Different Family
[P10721, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P10721	Q02763	8.154901959985743	7.721246399047171	0.43365556093857194	Different Family
[P10721, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	Q02763	7.795880017344075	6.769551078621726	1.026328938722349	Different Family
[P10721, Q02763]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	Q02763	7.080921907623926	6.050609993355088	1.0303119142688386	Different Family
[P10721, Q02763]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P10721	Q02763	5.880084589742009	5.154901959985743	0.725182629756266	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	Q02763	8.045757490560675	6.958607314841775	1.0871501757189002	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N	P10721	Q02763	6.795880017344075	6.920818753952375	0.1249387366082999	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N(C)C	P10721	Q02763	6.031517051446065	6.853871964321762	0.8223549128756966	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)NC	P10721	Q02763	6.3979400086720375	6.327902142064283	0.07003786660775457	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCCO	P10721	Q02763	7.585026652029182	6.958607314841775	0.6264193371874072	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCN(C)C	P10721	Q02763	6.0915149811213505	6.721246399047171	0.6297314179258207	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCO	P10721	Q02763	7.431798275933005	6.585026652029182	0.8467716239038232	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCOC	P10721	Q02763	6.443697499232713	6.657577319177793	0.2138798199450802	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCN(CC5)C	P10721	Q02763	6.096910013008056	6.200659450546418	0.10374943753836163	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCOCC5	P10721	Q02763	6.236572006437063	6.366531544420414	0.1299595379833507	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5cccnc5	P10721	Q02763	6.102372908709558	6.6020599913279625	0.49968708261840433	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5ccncc5	P10721	Q02763	6.017728766960432	6.568636235841013	0.5509074688805811	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P10721	Q02763	7.958607314841775	6.3819519032879075	1.5766554115538671	Different Family
[P10721, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P10721	Q02763	8.221848749616356	6.139672321724138	2.082176427892218	Different Family
[P10721, Q02763]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P10721	Q02763	7.167491087293763	5.886056647693163	1.2814344396006003	Different Family
[P10721, Q02763]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P10721	Q02763	7.7447274948966935	7.552841968657781	0.19188552623891297	Different Family
[P10721, Q02763]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P10721	Q02763	7.552841968657781	7.657577319177793	0.10473535052001282	Different Family
[P10721, Q02763]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P10721	Q02763	6.987162775294828	4.753476800033426	2.233685975261402	Different Family
[O14965, P10721]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P10721	O14965	7.27531461176264	5.441309425467385	1.834005186295255	Different Group
[O14965, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P10721	O14965	5.978810700930062	6.30715308072277	0.3283423797927085	Different Group
[O14965, P10721]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P10721	O14965	7.3872161432802645	6.35261702988538	1.0345991133948846	Different Group
[O14965, P10721]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P10721	O14965	7.90031935889075	6.244018488604927	1.6563008702858228	Different Group
[O14965, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	O14965	6.823908740944319	5.5376020021010435	1.2863067388432752	Different Group
[O14965, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P10721	O14965	6.619788758288394	6.167491087293763	0.45229767099463025	Different Group
[O14965, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P10721	O14965	7.6777807052660805	6.769551078621726	0.9082296266443546	Different Group
[O14965, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P10721	O14965	7.638272163982407	6.443697499232713	1.1945746647496938	Different Group
[O14965, P10721]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P10721	O14965	6.886056647693163	6.920818753952375	0.034762106259211834	Different Group
[O14965, P10721]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P10721	O14965	7.795880017344075	6.119186407719209	1.6766936096248664	Different Group
[O14965, P10721]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P10721	O14965	5.167491087293763	5.823908740944319	0.6564176536505553	Different Group
[O14965, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P10721	O14965	8.368556230986828	6.4470885497834916	1.9214676812033362	Different Group
[O14965, P10721]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P10721	O14965	7.566870482419515	6.605005790081489	0.9618646923380254	Different Group
[O14965, P10721]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P10721	O14965	7.636806309385258	5.747181901218205	1.8896244081670526	Different Group
[O14965, P10721]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P10721	O14965	6.173925197299173	5.508638306165727	0.6652868911334462	Different Group
[O14965, P10721]	c1ccnc(c1)C(C2CC2)NC(=O)c3ccc4c(c3)c(n[nH]4)c5ccc(cc5)N6C7CCC6CC(C7)O	P10721	O14965	6.309803919971486	5.886056647693163	0.4237472722783231	Different Group
[P10721, Q16832]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	P10721	Q16832	8.050637409205253	8.133803120088515	0.08316571088326263	Different Family
[P10721, Q16832]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3ccc(c(c3)C#Cc4cnc5ccnn5c4)Cl)C(F)(F)F	P10721	Q16832	5.823908740944319	6.762833417314527	0.9389246763702079	Different Family
[P10721, Q16832]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc(c3)C#Cc4cnc5ccnn5c4)C(F)(F)F	P10721	Q16832	6.614393726401688	7.0284922182887435	0.4140984918870556	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCCC5	P10721	Q16832	6.130181792020672	6.881536860224634	0.7513550682039627	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	Q16832	6.121478204498794	6.9975747353220985	0.8760965308233049	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C)C	P10721	Q16832	6.732828271596986	6.935542010773082	0.2027137391760956	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)CN5CCN(CC5)C)C	P10721	Q16832	6.562249437179612	7.430626090384954	0.8683766532053419	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)Cl)CN5CCN(CC5)C	P10721	Q16832	6.39040559077478	6.987162775294828	0.5967571845200483	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)OC)CN5CCN(CC5)C	P10721	Q16832	6.384049948343599	6.903089986991944	0.5190400386483445	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)C(F)(F)F	P10721	Q16832	6.669586226650809	7.131708311982145	0.4621220853313357	Different Family
[P10721, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	Q16832	6.546681659952962	5.6439741428068775	0.9027075171460845	Different Family
[P10721, Q16832]	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)C(C)NC(=O)Nc4cccc(c4)F	P10721	Q16832	6.853871964321762	8.346787486224656	1.4929155219028942	Different Family
[P10721, Q16832]	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)C(C)Nc4nc5cc(ccc5o4)F	P10721	Q16832	6.795880017344075	8.214670164989233	1.4187901476451579	Different Family
[P10721, Q16832]	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F	P10721	Q16832	7.721246399047171	8.481486060122112	0.7602396610749409	Different Family
[P10721, Q16832]	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4ccccc4	P10721	Q16832	8.008773924307505	8.086186147616283	0.0774122233087784	Different Family
[P10721, Q16832]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P10721	Q16832	8.001740661576301	6.748118545447473	1.2536221161288283	Different Family
[P10721, Q16832]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P10721	Q16832	7.260111344915457	7.763966852882364	0.5038555079669065	Different Family
[P10721, Q16832]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	Q16832	7.488116639021126	6.184887341810187	1.3032292972109385	Different Family
[P10721, Q16832]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P10721	Q16832	7.130768280269024	7.301029995663981	0.1702617153949575	Different Family
[P10721, Q16832]	c1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3cnc4n3cccc4	P10721	Q16832	6.7447274948966935	6.552841968657781	0.19188552623891297	Different Family
[P10721, Q08345]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	P10721	Q08345	8.050637409205253	7.4089353929735005	0.6417020162317524	Different Family
[P10721, Q08345]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc(c3)Nc4c5ccccc5ncn4	P10721	Q08345	7.521433504406157	6.628932137728264	0.8925013666778927	Different Family
[P10721, Q08345]	CCCCNC(=O)c1ccc(c(c1)C#Cc2cnc3ccnn3c2)C	P10721	Q08345	7.777283528852417	7.1861522457711455	0.5911312830812712	Different Family
[P10721, Q08345]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3ccc(c(c3)C#Cc4cnc5ccnn5c4)Cl)C(F)(F)F	P10721	Q08345	5.823908740944319	7.997833938243493	2.173925197299174	Different Family
[P10721, Q08345]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc(c3)C#Cc4cnc5ccnn5c4)C(F)(F)F	P10721	Q08345	6.614393726401688	8.153662887870194	1.5392691614685061	Different Family
[P10721, Q08345]	Cc1ccc(cc1)NC(=O)c2ccc(c(c2)C#Cc3cnc4ccnn4c3)C	P10721	Q08345	8.58335949266172	7.321026624080234	1.2623328685814847	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)NC(C)C	P10721	Q08345	7.173925197299173	7.40197592766581	0.22805073036663703	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)NC4CCCC4	P10721	Q08345	7.903089986991944	7.399898744308609	0.5031912426833349	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)NC4CCCCC4	P10721	Q08345	6.698970004336019	7.535361440904967	0.836391436568948	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCCC5	P10721	Q08345	6.130181792020672	7.904133546521457	1.7739517545007857	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	P10721	Q08345	6.121478204498794	8.049148541111453	1.9276703366126595	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C)C	P10721	Q08345	6.732828271596986	8.197910742118268	1.4650824705212813	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)CN5CCN(CC5)C)C	P10721	Q08345	6.562249437179612	8.173277479831007	1.6110280426513954	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)Cl)CN5CCN(CC5)C	P10721	Q08345	6.39040559077478	7.855737226238009	1.4653316354632295	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)OC)CN5CCN(CC5)C	P10721	Q08345	6.384049948343599	7.876148359032914	1.492098410689315	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4ccc(cc4)OC	P10721	Q08345	8.032452023781138	7.650528200785614	0.38192382299552374	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)Br	P10721	Q08345	7.002176919254275	7.778846678045295	0.7766697587910203	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)C(F)(F)F	P10721	Q08345	6.669586226650809	8.211831628858832	1.5422454022080228	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)CN5CCN(CC5)C	P10721	Q08345	6.590066876668706	6.48932096896779	0.10074590770091607	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)Cl	P10721	Q08345	8.31069114087638	8.640164517660113	0.32947337678373323	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)I	P10721	Q08345	6.5951662833800615	7.704432900037521	1.1092666166574592	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)N(C)C	P10721	Q08345	7.72584215073632	8.012333735073726	0.28649158433740585	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)OC	P10721	Q08345	8.721246399047171	8.393618634889394	0.3276277641577767	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)OC(C)C	P10721	Q08345	6.931814138253839	7.455683858252573	0.5238697199987339	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)n5cc(nc5)C	P10721	Q08345	6.546681659952962	6.412850501745656	0.13383115820730573	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)n5ccnc5	P10721	Q08345	7.084072788302884	7.72056121171298	0.6364884234100954	Different Family
[P10721, Q08345]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4ccccc4OC	P10721	Q08345	7.08460016478773	6.327902142064283	0.7566980227234472	Different Family
[P10721, Q08345]	Cc1ccc(cc1OC2CCN(CC2)C(=O)c3ccncc3)NC(=O)c4cccc(c4)C(F)(F)F	P10721	Q08345	7.00436480540245	6.8996294548824375	0.10473535052001282	Different Family
[P10721, Q08345]	Cc1cccc(c1)NC(=O)c2ccc(c(c2)C#Cc3cnc4ccnn4c3)C	P10721	Q08345	8.518557371497694	8.224753740259764	0.29380363123792996	Different Family
[P10721, Q08345]	c1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3cnc4n3cccc4	P10721	Q08345	6.7447274948966935	6.823908740944319	0.07918124604762511	Different Family
[P08069, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P08069	5.318758762624412	5.113509274827518	0.20524948779689467	Different Family
[P08069, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P08069	8.301029995663981	4.945210726547806	3.355819269116175	Different Family
[P08069, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P08069	7.431798275933005	4.657577319177793	2.7742209567552116	Different Family
[P08069, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	P08069	5.251811972993799	5.060480747381382	0.19133122561241755	Different Family
[P08069, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	P08069	5.769551078621726	4.7447274948966935	1.0248235837250323	Different Family
[P08069, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P08069	5.812479279163537	6.6020599913279625	0.7895807121644252	Different Family
[P08069, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P08069	5.552841968657781	5.638272163982407	0.08543019532462637	Different Family
[P08069, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P08069	5.795880017344075	6.0	0.20411998265592501	Different Family
[P08069, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P08069	5.494850021680094	5.769551078621726	0.27470105694163216	Different Family
[P08069, P35916]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35916	P08069	5.017728766960432	5.638272163982407	0.6205433970219749	Different Family
[P08069, P35916]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	P08069	5.284832642151542	4.0	1.2848326421515424	Different Family
[P08069, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P08069	5.327902142064283	5.3979400086720375	0.07003786660775457	Different Family
[P35916, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P36888	5.318758762624412	4.698970004336019	0.6197887582883936	Different Family
[P35916, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P35916	P36888	5.925183559354825	7.657577319177793	1.7323937598229682	Different Family
[P35916, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P35916	P36888	8.397940008672037	8.795880017344075	0.3979400086720375	Different Family
[P35916, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35916	P36888	7.3979400086720375	7.346787486224656	0.05115252244738144	Different Family
[P35916, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P35916	P36888	5.236572006437063	5.619788758288394	0.38321675185133053	Different Family
[P35916, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P35916	P36888	4.769551078621726	4.795880017344075	0.026328938722349093	Different Family
[P35916, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P35916	P36888	9.301029995663981	8.309803919971486	0.9912260756924951	Different Family
[P35916, P36888]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P35916	P36888	5.824875990832918	6.355317024239985	0.5304410334070662	Different Family
[P35916, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P35916	P36888	6.031743128760553	6.2760335672039105	0.24429043844335752	Different Family
[P35916, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P35916	P36888	8.886056647693163	8.886056647693163	0.0	Different Family
[P35916, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P36888	8.093543321678572	7.585026652029182	0.5085166696493904	Different Family
[P35916, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P35916	P36888	8.522878745280337	8.045757490560675	0.4771212547196626	Different Family
[P35916, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35916	P36888	6.79317412396815	6.174573882232177	0.6186002417359733	Different Family
[P35916, P36888]	CN1CCN(CC1)c2ccc(cc2NC(=O)c3c[nH]c(=O)cc3C(F)(F)F)c4cc5ccccc5nc4	P35916	P36888	6.221848749616356	6.301029995663981	0.07918124604762511	Different Family
[P35916, P36888]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P35916	P36888	7.522878745280337	7.301029995663981	0.22184874961635614	Different Family
[P35916, P36888]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P36888	5.494850021680094	4.6020599913279625	0.8927900303521312	Different Family
[P35916, P36888]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	P35916	P36888	7.318758762624412	7.055517327849832	0.2632414347745806	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	P36888	5.026872146400302	5.657577319177793	0.6307051727774917	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P36888	8.301029995663981	6.568636235841013	1.7323937598229682	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(NC2=O)O)c3c[nH]c4c3cccc4	P35916	P36888	5.468521082957745	4.356547323513813	1.1119737594439316	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P36888	7.431798275933005	5.214670164989233	2.217128110943772	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	P36888	5.6020599913279625	5.522878745280337	0.07918124604762511	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	P36888	5.251811972993799	4.468521082957745	0.7832908900360547	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	P36888	5.769551078621726	4.443697499232712	1.3258535793890136	Different Family
[P35916, P36888]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P35916	P36888	5.301029995663981	4.443697499232712	0.857332496431269	Different Family
[P35916, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P35916	P36888	8.55284196865778	8.25336580106242	0.2994761675953601	Different Family
[P35916, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	P36888	5.060480747381382	5.00436480540245	0.05611594197893144	Different Family
[P35916, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	P36888	7.060480747381382	7.568636235841013	0.5081554884596313	Different Family
[P35916, P36888]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P35916	P36888	5.431798275933005	8.0	2.568201724066995	Different Family
[P35916, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P36888	8.585026652029182	8.420818753952375	0.1642078980768069	Different Family
[P35916, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P35916	P36888	7.886056647693163	8.698970004336019	0.8129133566428557	Different Family
[P35916, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	P36888	4.958607314841775	5.301029995663981	0.3424226808222066	Different Family
[P35916, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	P36888	4.7447274948966935	4.853871964321762	0.10914446942506828	Different Family
[P35916, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35916	P36888	7.107905397309519	7.657577319177793	0.5496719218682742	Different Family
[P35916, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P36888	5.552841968657781	5.619788758288394	0.06694678963061307	Different Family
[P35916, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P36888	5.795880017344075	5.853871964321762	0.05799194697768684	Different Family
[P35916, P36888]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P35916	P36888	6.562249437179612	6.471083299722345	0.0911661374572672	Different Family
[P35916, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P36888	5.494850021680094	5.5376020021010435	0.04275198042094974	Different Family
[P06213, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P06213	5.318758762624412	4.568636235841013	0.7501225267833993	Different Family
[P06213, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P06213	8.301029995663981	4.717076090663241	3.5839539050007403	Different Family
[P06213, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P06213	7.431798275933005	4.366531544420414	3.065266731512591	Different Family
[P06213, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	P06213	5.6020599913279625	4.356547323513813	1.2455126678141495	Different Family
[P06213, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	P06213	4.958607314841775	4.327902142064283	0.6307051727774917	Different Family
[P06213, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P06213	5.812479279163537	6.468521082957745	0.6560418037942073	Different Family
[P06213, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P06213	5.552841968657781	5.5376020021010435	0.015239966556737095	Different Family
[P06213, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P06213	5.795880017344075	5.853871964321762	0.05799194697768684	Different Family
[P06213, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P06213	5.494850021680094	5.356547323513812	0.1383026981662816	Different Family
[P06213, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P06213	5.327902142064283	5.585026652029182	0.2571245099648989	Different Family
[P16234, P35916]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	8.221848749616356	8.045757490560675	0.17609125905568135	Different Family
[P16234, P35916]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	8.522878745280337	8.154901959985743	0.3679767852945943	Different Family
[P16234, P35916]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	8.301029995663981	8.096910013008056	0.20411998265592501	Different Family
[P16234, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P35916	P16234	5.925183559354825	6.431798275933005	0.5066147165781798	Different Family
[P16234, P35916]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P35916	P16234	5.236572006437063	5.638272163982407	0.40170015754534383	Different Family
[P16234, P35916]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P35916	P16234	4.769551078621726	5.853871964321762	1.084320885700036	Different Family
[P16234, P35916]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P35916	P16234	9.301029995663981	9.619788758288394	0.3187587626244124	Different Family
[P16234, P35916]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P35916	P16234	6.031743128760553	6.7035786584344494	0.6718355296738965	Different Family
[P16234, P35916]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	8.0	7.698970004336019	0.30102999566398125	Different Family
[P16234, P35916]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	7.229147988357856	7.958607314841775	0.7294593264839184	Different Family
[P16234, P35916]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P35916	P16234	8.0	7.920818753952375	0.07918124604762511	Different Family
[P16234, P35916]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P16234	7.136677139879544	7.552841968657781	0.41616482877823646	Different Family
[P16234, P35916]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P35916	P16234	8.154901959985743	8.096910013008056	0.05799194697768684	Different Family
[P16234, P35916]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P16234	7.619788758288394	6.785156151952302	0.8346326063360916	Different Family
[P16234, P35916]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P35916	P16234	7.494850021680094	7.267606240177032	0.2272437815030619	Different Family
[P16234, P35916]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P35916	P16234	6.301029995663981	6.698970004336019	0.3979400086720375	Different Family
[P16234, P35916]	Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC	P35916	P16234	8.424614107158025	8.566336980392329	0.1417228732343041	Different Family
[P16234, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P16234	8.585026652029182	8.886056647693163	0.30102999566398125	Different Family
[P16234, P35916]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P35916	P16234	8.958607314841775	8.366531544420413	0.5920757704213617	Different Family
[P16234, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P35916	P16234	7.327902142064283	7.1487416512809245	0.17916049078335838	Different Family
[P16234, P35916]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P35916	P16234	8.744727494896694	5.494850021680094	3.2498774732166	Different Family
[P16234, P35916]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	P16234	5.284832642151542	5.393618634889395	0.10878599273785294	Different Family
[P00533, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P00533	5.318758762624412	5.045757490560675	0.2730012720637376	Different Family
[P00533, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P00533	8.301029995663981	4.645365019512084	3.655664976151897	Different Family
[P00533, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P00533	7.431798275933005	4.638272163982407	2.793526111950598	Different Family
[P00533, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	P00533	5.251811972993799	4.657577319177793	0.5942346538160059	Different Family
[P00533, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	P00533	5.769551078621726	4.853871964321762	0.9156791142999641	Different Family
[P00533, P35916]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P35916	P00533	8.55284196865778	5.52432881167557	3.0285131569822106	Different Family
[P00533, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P00533	8.585026652029182	6.133122185662502	2.4519044663666802	Different Family
[P00533, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P00533	5.812479279163537	6.161150909262744	0.348671630099207	Different Family
[P00533, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P00533	5.552841968657781	5.886056647693163	0.3332146790353825	Different Family
[P00533, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P00533	5.795880017344075	6.221848749616356	0.42596873227228116	Different Family
[P00533, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P35916	P00533	6.376750709602099	5.403402904373539	0.9733478052285598	Different Family
[P00533, P35916]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	P00533	8.119987161633228	5.0	3.1199871616332278	Different Family
[P00533, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P00533	5.494850021680094	5.823908740944319	0.3290587192642249	Different Family
[P00533, P35916]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P35916	P00533	8.744727494896694	5.585026652029182	3.1597008428675117	Different Family
[P00533, P35916]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35916	P00533	5.017728766960432	5.022276394711152	0.004547627750720373	Different Family
[P00533, P35916]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	P00533	5.284832642151542	4.0	1.2848326421515424	Different Family
[P00533, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P00533	5.327902142064283	5.337242168318426	0.009340026254142764	Different Family
[P07949, P35916]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P35916	P07949	5.925183559354825	6.006123085058789	0.08093952570396379	Different Family
[P07949, P35916]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35916	P07949	7.3979400086720375	7.337242168318426	0.06069784035361181	Different Family
[P07949, P35916]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P35916	P07949	8.886056647693163	8.886056647693163	0.0	Different Family
[P07949, P35916]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35916	P07949	6.79317412396815	7.508638306165727	0.7154641821975769	Different Family
[P07949, P35916]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P35916	P07949	7.522878745280337	8.0	0.4771212547196626	Different Family
[P07949, P35916]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P35916	P07949	6.301029995663981	6.769551078621726	0.46852108295774464	Different Family
[P07949, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P07949	8.585026652029182	9.698970004336019	1.113943352306837	Different Family
[P07949, P35916]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P35916	P07949	8.958607314841775	7.7447274948966935	1.213879819945081	Different Family
[P07949, P35916]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35916	P07949	7.107905397309519	6.1938200260161125	0.9140853712934067	Different Family
[P07949, P35916]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P35916	P07949	6.379863945026242	7.823908740944319	1.4440447959180762	Different Family
[P07949, P35916]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P35916	P07949	6.06198090252379	6.151195298948196	0.08921439642440632	Different Family
[P35916, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q96GD4	5.318758762624412	4.366531544420414	0.9522272182039986	Different Group
[P35916, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35916	Q96GD4	6.79317412396815	6.651516179627988	0.141657944340162	Different Group
[P35916, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	Q96GD4	5.026872146400302	5.6777807052660805	0.6509085588657788	Different Group
[P35916, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	Q96GD4	8.301029995663981	4.685805534974844	3.615224460689137	Different Group
[P35916, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	Q96GD4	7.431798275933005	4.337242168318426	3.0945561076145793	Different Group
[P35916, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	Q96GD4	5.6020599913279625	4.698970004336019	0.9030899869919438	Different Group
[P35916, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	Q96GD4	5.060480747381382	5.309803919971486	0.2493231725901044	Different Group
[P35916, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	Q96GD4	4.958607314841775	5.008773924307505	0.05016660946573026	Different Group
[P35916, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	Q96GD4	5.812479279163537	5.6020599913279625	0.21041928783557484	Different Group
[P35916, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	Q96GD4	5.552841968657781	6.301029995663981	0.7481880270062007	Different Group
[P35916, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	Q96GD4	5.795880017344075	5.638272163982407	0.15760785336166805	Different Group
[P35916, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	Q96GD4	5.494850021680094	5.585026652029182	0.09017663034908807	Different Group
[P35916, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	Q96GD4	5.284832642151542	6.133712660915805	0.8488800187642624	Different Group
[P12931, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P12931	5.318758762624412	5.356547323513812	0.03778856088939975	Different Family
[P12931, P35916]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P12931	5.275724130399211	4.5376020021010435	0.7381221282981674	Different Family
[P12931, P35916]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P12931	5.443697499232713	4.3979400086720375	1.0457574905606757	Different Family
[P12931, P35916]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P12931	8.093543321678572	6.806875401645539	1.2866679200330333	Different Family
[P12931, P35916]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P35916	P12931	8.522878745280337	4.517126416391246	4.005752328889091	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	P12931	5.026872146400302	4.3872161432802645	0.6396560031200371	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P12931	8.301029995663981	4.68837535480105	3.6126546408629316	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P12931	7.431798275933005	4.853871964321762	2.577926311611243	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	P12931	5.251811972993799	5.346787486224656	0.09497551323085673	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	P12931	5.769551078621726	5.040958607678906	0.7285924709428198	Different Family
[P12931, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	P12931	5.6020599913279625	4.309803919971486	1.2922560713564764	Different Family
[P12931, P35916]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35916	P12931	8.045757490560675	5.262012673666569	2.7837448168941057	Different Family
[P12931, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P12931	8.585026652029182	8.397940008672037	0.1870866433571443	Different Family
[P12931, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	P12931	4.7447274948966935	4.4089353929735005	0.3357921019231931	Different Family
[P12931, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P12931	5.812479279163537	6.096910013008056	0.2844307338445189	Different Family
[P12931, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P12931	5.552841968657781	5.721246399047171	0.16840443038939057	Different Family
[P12931, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P12931	5.795880017344075	6.154901959985743	0.3590219426416681	Different Family
[P12931, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P35916	P12931	6.376750709602099	5.11690664142431	1.259844068177789	Different Family
[P12931, P35916]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P35916	P12931	5.991399828238082	5.0726296369609765	0.9187701912771056	Different Family
[P12931, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P12931	5.494850021680094	5.698970004336019	0.20411998265592501	Different Family
[P12931, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P12931	5.327902142064283	5.42021640338319	0.09231426131890696	Different Family
[P35916, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q05397	5.318758762624412	4.552841968657781	0.7659167939666318	Different Family
[P35916, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q05397	5.275724130399211	4.568636235841013	0.7070878945581978	Different Family
[P35916, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q05397	5.443697499232713	4.552841968657781	0.8908555305749326	Different Family
[P35916, Q05397]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P35916	Q05397	5.337242168318426	5.080921907623926	0.2563202606944994	Different Family
[P35916, Q05397]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q05397	5.494850021680094	4.455931955649724	1.0389180660303694	Different Family
[P35916, Q05397]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	P35916	Q05397	7.318758762624412	6.876148359032914	0.44261040359149817	Different Family
[P35916, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	Q05397	8.301029995663981	6.1001574545454496	2.2008725411185317	Different Family
[P35916, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	Q05397	7.431798275933005	5.022276394711152	2.4095218812218526	Different Family
[P35916, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	Q05397	5.769551078621726	4.3979400086720375	1.3716110699496884	Different Family
[P35916, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	Q05397	5.6020599913279625	4.366531544420414	1.2355284469075487	Different Family
[P35916, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	Q05397	4.958607314841775	4.301029995663981	0.6575773191777934	Different Family
[P35916, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	Q05397	5.812479279163537	5.507239610973163	0.3052396681903744	Different Family
[P35916, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	Q05397	5.552841968657781	5.6777807052660805	0.1249387366082999	Different Family
[P35916, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	Q05397	5.795880017344075	5.455931955649724	0.33994806169435066	Different Family
[P35916, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	Q05397	5.494850021680094	5.136677139879544	0.3581728818005496	Different Family
[P35916, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	Q05397	5.327902142064283	5.356547323513812	0.02864518144952921	Different Family
[P35916, P35968]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	8.221848749616356	8.096910013008056	0.1249387366082999	Same Family
[P35916, P35968]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	8.522878745280337	8.045757490560675	0.4771212547196626	Same Family
[P35916, P35968]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	8.301029995663981	7.920818753952375	0.38021124171160636	Same Family
[P35916, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P35968	5.318758762624412	5.356547323513812	0.03778856088939975	Same Family
[P35916, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P35916	P35968	5.925183559354825	5.609418121449565	0.31576543790526035	Same Family
[P35916, P35968]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P35916	P35968	8.397940008672037	8.096910013008056	0.30102999566398125	Same Family
[P35916, P35968]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P35968	5.275724130399211	5.2839966563652006	0.008272525965989708	Same Family
[P35916, P35968]	CC(C)n1c2c(c(n1)c3cc(on3)C4CC4)c(ncn2)N	P35916	P35968	7.142667503568732	7.017728766960432	0.1249387366082999	Same Family
[P35916, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35916	P35968	7.3979400086720375	7.657577319177793	0.2596373105057559	Same Family
[P35916, P35968]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	P35916	P35968	5.494850021680094	5.096910013008056	0.3979400086720375	Same Family
[P35916, P35968]	CC1=[N+](C(=O)C(C=C1)C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4c3)NC(=O)C5CC5)c6ccccc6	P35916	P35968	8.259637310505756	8.861539433967113	0.6019021234613575	Same Family
[P35916, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P35916	P35968	5.236572006437063	5.366531544420414	0.1299595379833507	Same Family
[P35916, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P35916	P35968	4.769551078621726	4.031517051446065	0.7380340271756607	Same Family
[P35916, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P35916	P35968	9.301029995663981	9.309803919971486	0.008773924307504899	Same Family
[P35916, P35968]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P35916	P35968	5.824875990832918	5.8191360819912035	0.005739908841714936	Same Family
[P35916, P35968]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P35916	P35968	6.031743128760553	6.38812227317138	0.35637914441082685	Same Family
[P35916, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P35916	P35968	8.886056647693163	8.638272163982407	0.24778448371075612	Same Family
[P35916, P35968]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P35968	5.443697499232713	5.275724130399211	0.16797336883350233	Same Family
[P35916, P35968]	CCSCc1ccc2c(c1)c3c4c(c5c6cc(ccc6n7c5c3n2C8CC(C7(O8)C)(C(=O)OC)O)CSCC)CNC4=O	P35916	P35968	7.4089353929735005	7.366531544420414	0.042403848553086654	Same Family
[P35916, P35968]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	8.0	7.214670164989233	0.7853298350107671	Same Family
[P35916, P35968]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	7.229147988357856	7.619788758288394	0.3906407699305374	Same Family
[P35916, P35968]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P35916	P35968	8.0	7.638272163982407	0.36172783601759306	Same Family
[P35916, P35968]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P35968	7.136677139879544	7.1938200260161125	0.05714288613656837	Same Family
[P35916, P35968]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P35916	P35968	8.154901959985743	8.221848749616356	0.06694678963061307	Same Family
[P35916, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P35968	8.093543321678572	7.989405350465031	0.10413797121354129	Same Family
[P35916, P35968]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P35968	7.619788758288394	7.080921907623926	0.5388668506644674	Same Family
[P35916, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P35916	P35968	8.522878745280337	7.809894379144197	0.7129843661361406	Same Family
[P35916, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P35916	P35968	5.803271277376713	6.7447274948966935	0.9414562175199803	Same Family
[P35916, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35916	P35968	6.79317412396815	6.364516253185088	0.42865787078306195	Same Family
[P35916, P35968]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P35916	P35968	8.599980364934842	7.187086643357144	1.4128937215776975	Same Family
[P35916, P35968]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P35916	P35968	5.337242168318426	5.4089353929735005	0.07169322465507477	Same Family
[P35916, P35968]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P35916	P35968	7.494850021680094	7.443697499232713	0.051152522447380555	Same Family
[P35916, P35968]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P35916	P35968	8.397940008672037	8.048455006504028	0.3494850021680094	Same Family
[P35916, P35968]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P35968	5.494850021680094	5.638272163982407	0.1434221423023132	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	P35968	5.026872146400302	4.958607314841775	0.06826483155852703	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(NC2=O)O)c3c[nH]c4c3cccc4	P35916	P35968	5.468521082957745	5.229147988357856	0.23937309459988843	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	P35968	7.431798275933005	7.508638306165727	0.0768400302327219	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	P35968	5.6020599913279625	5.376750709602099	0.2253092817258633	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	P35968	5.251811972993799	5.508638306165727	0.2568263331719276	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	P35968	5.769551078621726	5.795880017344075	0.026328938722349093	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	P35968	5.6020599913279625	5.823908740944319	0.22184874961635614	Same Family
[P35916, P35968]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P35916	P35968	5.301029995663981	5.638272163982407	0.3372421683184257	Same Family
[P35916, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35916	P35968	8.045757490560675	8.221848749616356	0.17609125905568135	Same Family
[P35916, P35968]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	P35968	5.060480747381382	4.886056647693163	0.1744240996882187	Same Family
[P35916, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	P35968	7.060480747381382	7.263621775341393	0.20314102796001166	Same Family
[P35916, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P35916	P35968	7.167491087293763	7.887345359137068	0.719854271843305	Same Family
[P35916, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P35968	8.585026652029182	8.638272163982407	0.05324551195322513	Same Family
[P35916, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P35916	P35968	7.327902142064283	7.97325923198876	0.6453570899244774	Same Family
[P35916, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P35916	P35968	7.886056647693163	8.761439372640169	0.8753827249470056	Same Family
[P35916, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	P35968	4.958607314841775	4.823908740944319	0.134698573897456	Same Family
[P35916, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	P35968	4.7447274948966935	4.508638306165727	0.23608918873096663	Same Family
[P35916, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35916	P35968	7.107905397309519	7.356547323513813	0.24864192620429382	Same Family
[P35916, P35968]	Cn1ccnc1c2cc3c(ccnc3s2)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccccc5	P35916	P35968	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[P35916, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P35968	5.812479279163537	6.102372908709558	0.2898936295460208	Same Family
[P35916, P35968]	c1cc(c(cc1Br)c2nc3c(c(n2)Nc4ccncc4C(=O)NCCCN5CCCC5=O)nccn3)F	P35916	P35968	6.910094888560602	6.853871964321762	0.05622292423884012	Same Family
[P35916, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P35968	5.552841968657781	5.920818753952375	0.3679767852945943	Same Family
[P35916, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P35968	5.795880017344075	6.221848749616356	0.42596873227228116	Same Family
[P35916, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P35916	P35968	6.376750709602099	6.508638306165727	0.1318875965636277	Same Family
[P35916, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4ccsc4ncn3	P35916	P35968	5.703334809738469	5.935542010773082	0.2322072010346128	Same Family
[P35916, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P35916	P35968	5.991399828238082	7.958607314841775	1.9672074866036926	Same Family
[P35916, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4ccsc4ncn3	P35916	P35968	8.221848749616356	7.7447274948966935	0.4771212547196626	Same Family
[P35916, P35968]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	P35968	7.638272163982407	7.795880017344075	0.15760785336166805	Same Family
[P35916, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P35968	5.494850021680094	5.886056647693163	0.3912066260130693	Same Family
[P35916, P35968]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P35916	P35968	8.744727494896694	7.958607314841775	0.7861201800549189	Same Family
[P35916, P35968]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35916	P35968	5.017728766960432	5.366531544420414	0.3488027774599818	Same Family
[P35916, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	P35968	5.284832642151542	5.2247537402597635	0.06007890189177889	Same Family
[P35916, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35916	P35968	7.327902142064283	7.040958607678906	0.2869435343853768	Same Family
[P35916, P35968]	c1ccc2c(c1)c(ncn2)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35916	P35968	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P35916, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P35968	5.327902142064283	5.3872161432802645	0.05931400121598163	Same Family
[P11362, P35916]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	8.221848749616356	7.267606240177032	0.9542425094393243	Different Family
[P11362, P35916]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	8.522878745280337	7.769551078621726	0.7533276666586115	Different Family
[P11362, P35916]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	8.301029995663981	7.7447274948966935	0.5563025007672877	Different Family
[P11362, P35916]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P35916	P11362	8.397940008672037	6.790484985457369	1.6074550232146683	Different Family
[P11362, P35916]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35916	P11362	7.3979400086720375	7.301029995663981	0.09691001300805624	Different Family
[P11362, P35916]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	8.0	7.301029995663981	0.6989700043360187	Different Family
[P11362, P35916]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	7.229147988357856	7.055517327849832	0.17363066050802445	Different Family
[P11362, P35916]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P35916	P11362	8.0	7.6020599913279625	0.3979400086720375	Different Family
[P11362, P35916]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35916	P11362	7.136677139879544	7.086186147616283	0.050490992263260814	Different Family
[P11362, P35916]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P35916	P11362	8.154901959985743	7.180456064458132	0.9744458955276114	Different Family
[P11362, P35916]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P11362	8.093543321678572	7.2677386874207635	0.8258046342578087	Different Family
[P11362, P35916]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35916	P11362	7.619788758288394	6.6595558851598815	0.9602328731285121	Different Family
[P11362, P35916]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35916	P11362	6.79317412396815	7.327902142064283	0.5347280180961329	Different Family
[P11362, P35916]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P35916	P11362	8.599980364934842	7.958607314841775	0.6413730500930672	Different Family
[P11362, P35916]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P35916	P11362	7.522878745280337	6.6020599913279625	0.9208187539523749	Different Family
[P11362, P35916]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P35916	P11362	7.494850021680094	7.1487416512809245	0.3461083703991692	Different Family
[P11362, P35916]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	P11362	8.585026652029182	8.744727494896694	0.15970084286751174	Different Family
[P11362, P35916]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P35916	P11362	7.327902142064283	6.853871964321762	0.4740301777425211	Different Family
[P11362, P35916]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35916	P11362	7.107905397309519	7.187086643357144	0.07918124604762511	Different Family
[P11362, P35916]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P35916	P11362	6.379863945026242	6.756961951313706	0.37709800628746315	Different Family
[P08581, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	P08581	5.318758762624412	4.5376020021010435	0.7811567605233689	Different Family
[P08581, P35916]	CC1=[N+](C(=O)C(C=C1)C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4c3)NC(=O)C5CC5)c6ccccc6	P35916	P08581	8.259637310505756	8.388381863448501	0.12874455294274512	Different Family
[P08581, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	P08581	8.301029995663981	4.455931955649724	3.845098040014257	Different Family
[P08581, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	P08581	5.6020599913279625	4.346787486224656	1.2552725051033065	Different Family
[P08581, P35916]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35916	P08581	8.045757490560675	5.636388020107856	2.409369470452819	Different Family
[P08581, P35916]	Cn1ccnc1c2cc3c(ccnc3s2)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccccc5	P35916	P08581	8.397940008672037	9.0	0.6020599913279625	Different Family
[P08581, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	P08581	5.812479279163537	6.236572006437063	0.42409272727352576	Different Family
[P08581, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	P08581	5.552841968657781	5.958607314841775	0.40576534618399407	Different Family
[P08581, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	P08581	5.795880017344075	6.096910013008056	0.30102999566398125	Different Family
[P08581, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	P08581	5.494850021680094	5.552841968657781	0.05799194697768684	Different Family
[P08581, P35916]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35916	P08581	5.327902142064283	5.481486060122113	0.15358391805783	Different Family
[O00444, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O00444	5.318758762624412	4.552841968657781	0.7659167939666318	Different Group
[O00444, P35916]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O00444	5.275724130399211	4.356547323513813	0.9191768068853978	Different Group
[O00444, P35916]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	P35916	O00444	5.494850021680094	4.638272163982407	0.8565778576976868	Different Group
[O00444, P35916]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O00444	5.443697499232713	4.455931955649724	0.9877655435829888	Different Group
[O00444, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O00444	5.026872146400302	5.113509274827518	0.08663712842721605	Different Group
[O00444, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	O00444	8.301029995663981	6.00436480540245	2.296665190261531	Different Group
[O00444, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	O00444	7.431798275933005	5.0	2.431798275933005	Different Group
[O00444, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	O00444	5.6020599913279625	4.795880017344075	0.8061799739838875	Different Group
[O00444, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	O00444	5.6020599913279625	5.045757490560675	0.5563025007672877	Different Group
[O00444, P35916]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O00444	5.060480747381382	4.920818753952375	0.13966199342900687	Different Group
[O00444, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	O00444	4.958607314841775	5.036212172654444	0.07760485781266979	Different Group
[O00444, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	O00444	4.7447274948966935	4.337242168318426	0.40748532657826786	Different Group
[O00444, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	O00444	5.812479279163537	5.527243550682788	0.28523572848074963	Different Group
[O00444, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	O00444	5.552841968657781	5.3872161432802645	0.16562582537751602	Different Group
[O00444, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	O00444	5.795880017344075	6.154901959985743	0.3590219426416681	Different Group
[O00444, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	O00444	5.494850021680094	5.721246399047171	0.2263963773670774	Different Group
[P35916, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q02763	5.318758762624412	4.958607314841775	0.36015144778263775	Different Family
[P35916, Q02763]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q02763	5.275724130399211	4.958607314841775	0.3171168155574362	Different Family
[P35916, Q02763]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	P35916	Q02763	5.494850021680094	4.508638306165727	0.9862117155143668	Different Family
[P35916, Q02763]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q02763	5.443697499232713	4.619788758288394	0.8239087409443195	Different Family
[P35916, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P35916	Q02763	8.522878745280337	5.337242168318426	3.1856365769619117	Different Family
[P35916, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P35916	Q02763	5.803271277376713	4.320635707655532	1.4826355697211815	Different Family
[P35916, Q02763]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P35916	Q02763	8.397940008672037	5.0915149811213505	3.306425027550687	Different Family
[P35916, Q02763]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	Q02763	5.494850021680094	4.6020599913279625	0.8927900303521312	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	Q02763	5.026872146400302	4.468521082957745	0.558351063442557	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	Q02763	8.301029995663981	5.841805124463402	2.459224871200579	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	Q02763	7.431798275933005	5.2839966563652006	2.1478016195678045	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	Q02763	5.6020599913279625	4.6020599913279625	1.0	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35916	Q02763	5.251811972993799	4.585026652029182	0.6667853209646175	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35916	Q02763	5.769551078621726	4.958607314841775	0.8109437637799513	Different Family
[P35916, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	Q02763	5.6020599913279625	5.769551078621726	0.16749108729376339	Different Family
[P35916, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	Q02763	7.060480747381382	7.769551078621726	0.7090703312403441	Different Family
[P35916, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P35916	Q02763	7.167491087293763	7.721246399047171	0.5537553117534078	Different Family
[P35916, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35916	Q02763	8.585026652029182	8.657577319177793	0.07255066714861158	Different Family
[P35916, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N	P35916	Q02763	8.397940008672037	6.3819519032879075	2.01598810538413	Different Family
[P35916, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P35916	Q02763	7.886056647693163	6.139672321724138	1.746384325969025	Different Family
[P35916, Q02763]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	Q02763	4.7447274948966935	4.318758762624412	0.42596873227228116	Different Family
[P35916, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	Q02763	5.812479279163537	6.585026652029182	0.7725473728656445	Different Family
[P35916, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	Q02763	5.552841968657781	6.096910013008056	0.5440680443502757	Different Family
[P35916, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	Q02763	5.795880017344075	6.221848749616356	0.42596873227228116	Different Family
[P35916, Q02763]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	Q02763	7.638272163982407	7.657577319177793	0.019305155195386448	Different Family
[P35916, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35916	Q02763	8.119987161633228	7.803768480298833	0.31621868133439435	Different Family
[P35916, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	Q02763	5.494850021680094	5.7447274948966935	0.2498774732165998	Different Family
[P35916, Q02763]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P35916	Q02763	6.772113295386326	4.753476800033426	2.0186364953529	Different Family
[P35916, Q02763]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35916	Q02763	5.017728766960432	5.050609993355088	0.03288122639465563	Different Family
[O14965, P35916]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O14965	5.318758762624412	4.522878745280337	0.795880017344075	Different Group
[O14965, P35916]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O14965	5.275724130399211	4.481486060122113	0.7942380702770979	Different Group
[O14965, P35916]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35916	O14965	7.3979400086720375	7.236572006437063	0.16136800223497438	Different Group
[O14965, P35916]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35916	O14965	5.443697499232713	4.5376020021010435	0.9060954971316697	Different Group
[O14965, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O14965	5.026872146400302	5.494850021680094	0.46797787527979207	Different Group
[O14965, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	O14965	8.301029995663981	5.135985522789741	3.16504447287424	Different Group
[O14965, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35916	O14965	7.431798275933005	4.795880017344075	2.63591825858893	Different Group
[O14965, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	O14965	5.6020599913279625	4.327902142064283	1.2741578492636796	Different Group
[O14965, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35916	O14965	5.6020599913279625	5.187086643357144	0.4149733479708182	Different Group
[O14965, P35916]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O14965	5.060480747381382	4.795880017344075	0.2646007300373068	Different Group
[O14965, P35916]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P35916	O14965	5.431798275933005	5.823908740944319	0.39211046501131364	Different Group
[O14965, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	O14965	4.958607314841775	5.494850021680094	0.5362427068383191	Different Group
[O14965, P35916]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35916	O14965	7.107905397309519	6.537602002101044	0.5703033952084748	Different Group
[O14965, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	O14965	5.812479279163537	5.605548319173784	0.2069309599897533	Different Group
[O14965, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	O14965	5.552841968657781	7.0	1.4471580313422194	Different Group
[O14965, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	O14965	5.795880017344075	5.585026652029182	0.21085336531489318	Different Group
[O14965, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	O14965	5.494850021680094	5.4089353929735005	0.08591462870659328	Different Group
[O14965, P35916]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P35916	O14965	6.379863945026242	8.397940008672037	2.018076063645795	Different Group
[O14965, P35916]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35916	O14965	5.284832642151542	5.872895201635193	0.5880625594836504	Different Group
[O14965, P35916]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P35916	O14965	6.06198090252379	9.522878745280337	3.4608978427565473	Different Group
[O60285, P35916]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	P35916	O60285	7.318758762624412	7.585026652029182	0.2662678894047694	Different Group
[O60285, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O60285	5.026872146400302	5.7447274948966935	0.7178553484963919	Different Group
[O60285, P35916]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P35916	O60285	8.301029995663981	4.366531544420414	3.9344984512435675	Different Group
[O60285, P35916]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35916	O60285	5.6020599913279625	4.468521082957745	1.1335389083702179	Different Group
[O60285, P35916]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35916	O60285	5.060480747381382	5.698970004336019	0.638489256954637	Different Group
[O60285, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35916	O60285	4.958607314841775	5.309803919971486	0.3511966051297115	Different Group
[O60285, P35916]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35916	O60285	4.7447274948966935	5.443697499232713	0.6989700043360196	Different Group
[O60285, P35916]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35916	O60285	5.812479279163537	6.292429823902063	0.47995054473852594	Different Group
[O60285, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35916	O60285	5.552841968657781	5.7447274948966935	0.19188552623891297	Different Group
[O60285, P35916]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35916	O60285	5.795880017344075	5.769551078621726	0.026328938722349093	Different Group
[O60285, P35916]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35916	O60285	5.494850021680094	5.494850021680094	0.0	Different Group
[P08069, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P36888	5.113509274827518	4.698970004336019	0.41453927049149897	Different Family
[P08069, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P08069	P36888	7.555955204081924	7.0670191780768015	0.4889360260051223	Different Family
[P08069, P36888]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	P36888	7.603800652904264	8.67778070526608	1.0739800523618168	Different Family
[P08069, P36888]	CN1CCN(CC1)CCc2ccc(cc2)NC(=O)c3cc(cnc3O)c4ccc5c(c4)OCO5	P08069	P36888	5.154901959985743	5.3979400086720375	0.24303804868629442	Different Family
[P08069, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P36888	6.746842210417746	6.785156151952302	0.038313941534555696	Different Family
[P08069, P36888]	CN1CCN(CC1)c2ccc(cc2)NC(=O)c3cc(cnc3O)c4ccc5c(c4)OCO5	P08069	P36888	4.823908740944319	5.301029995663981	0.4771212547196626	Different Family
[P08069, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P36888	4.945210726547806	6.568636235841013	1.6234255092932068	Different Family
[P08069, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	P36888	4.657577319177793	5.214670164989233	0.5570928458114395	Different Family
[P08069, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	P36888	5.060480747381382	4.468521082957745	0.5919596644236371	Different Family
[P08069, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	P36888	4.7447274948966935	4.443697499232712	0.30102999566398125	Different Family
[P08069, P36888]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P08069	P36888	4.746904414150968	6.319664486585437	1.5727600724344688	Different Family
[P08069, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P36888	5.638272163982407	5.619788758288394	0.0184834056940133	Different Family
[P08069, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P36888	6.0	5.853871964321762	0.14612803567823818	Different Family
[P08069, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P36888	6.522878745280337	6.229147988357856	0.2937307569224812	Different Family
[P08069, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P36888	5.267606240177032	5.366531544420414	0.09892530424338197	Different Family
[P08069, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P36888	5.292429823902063	5.481486060122113	0.18905623622004963	Different Family
[P08069, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P36888	5.769551078621726	5.5376020021010435	0.23194907652068242	Different Family
[P08069, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P36888	5.3979400086720375	6.142667503568732	0.7447274948966944	Different Family
[P08069, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P36888	7.366908937560798	5.853871964321762	1.5130369732390365	Different Family
[P06213, P08069]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P08069	P06213	7.809894379144197	7.153989824623698	0.6559045545204985	Same Family
[P06213, P08069]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.488116639021126	6.987162775294828	0.5009538637262976	Same Family
[P06213, P08069]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P06213	7.769551078621726	7.920818753952375	0.151267675330649	Same Family
[P06213, P08069]	CC(=O)Oc1ccc(cc1OC(=O)C)CNc2ccc3c(c2)OCO3	P08069	P06213	5.886056647693163	5.00436480540245	0.8816918422907127	Same Family
[P06213, P08069]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P08069	P06213	8.876148359032914	8.665546248849068	0.21060211018384578	Same Family
[P06213, P08069]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	P06213	9.327902142064282	9.05551732784983	0.27238481421445115	Same Family
[P06213, P08069]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P06213	5.113509274827518	4.568636235841013	0.5448730389865046	Same Family
[P06213, P08069]	CC(C)Oc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P08069	P06213	6.692503962086787	6.154901959985743	0.5376020021010444	Same Family
[P06213, P08069]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	P06213	8.721246399047171	8.00436480540245	0.7168815936447217	Same Family
[P06213, P08069]	CC(c1ccc2c(c1)c(n[nH]2)NC(=O)c3ccc(cc3NC4CCOCC4)N5CCN(CC5)C)c6cc(cc(c6)F)F	P08069	P06213	6.866461091629782	6.328979240549154	0.5374818510806278	Same Family
[P06213, P08069]	CC(c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl)O	P08069	P06213	7.442492798094342	7.364516253185088	0.07797654490925421	Same Family
[P06213, P08069]	CC1(CC(C1)c2nc(c3n2ncnc3N)c4ccc5ccc(nc5c4)c6ccccc6)O	P08069	P06213	6.823908740944319	6.154901959985743	0.6690067809585756	Same Family
[P06213, P08069]	CC1(CC(C1)c2nc(c3n2ncnc3N)c4ccc5ccc(nc5c4F)c6ccccc6)O	P08069	P06213	7.769551078621726	7.119186407719209	0.6503646709025173	Same Family
[P06213, P08069]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P08069	P06213	7.6338031200885155	7.0	0.6338031200885155	Same Family
[P06213, P08069]	CC1CCN(CC1)c2nc3c(c(n2)Nc4cc([nH]n4)C5CC5)CCC3	P08069	P06213	7.698970004336019	6.958607314841775	0.7403626894942441	Same Family
[P06213, P08069]	CCCN1CCC=C(C1)c2ccc(c(c2)C)Nc3nc4c(cc[nH]4)c(n3)Nc5ccccc5C(=O)N	P08069	P06213	8.301029995663981	8.200659450546418	0.10037054511756338	Same Family
[P06213, P08069]	CCCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P08069	P06213	6.349997258115003	6.199998172182031	0.14999908593297206	Same Family
[P06213, P08069]	CCOc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P08069	P06213	6.987162775294828	6.5968794788241825	0.3902832964706455	Same Family
[P06213, P08069]	CCP(=O)(CC)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P08069	P06213	7.345823458122039	6.503070351926785	0.8427531061952545	Same Family
[P06213, P08069]	CCc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)Nc4nccc(n4)c5c(nc6n5cccc6)c7ccc(c(c7)C(=O)Nc8c(cccc8F)F)OC	P08069	P06213	7.657577319177793	7.721246399047171	0.06366907986937775	Same Family
[P06213, P08069]	CN(C)C1CCN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P08069	P06213	8.154901959985743	7.6777807052660805	0.4771212547196626	Same Family
[P06213, P08069]	CN(C)C1CCN(C1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.369572124974976	6.31069114087638	1.0588809840985958	Same Family
[P06213, P08069]	CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	8.494850021680094	7.0	1.4948500216800937	Same Family
[P06213, P08069]	CN(C)C1CN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P08069	P06213	7.585026652029182	7.455931955649724	0.12909469637945747	Same Family
[P06213, P08069]	CN(C)CCN(C)C(=O)c1ccc(c(c1)NC2CCOCC2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	P06213	6.438898616350944	6.34008379993015	0.09881481642079404	Same Family
[P06213, P08069]	CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2ncc(c(n2)c3cnn4c3cccc4)Cl)OC	P08069	P06213	8.221848749616356	8.045757490560675	0.17609125905568135	Same Family
[P06213, P08069]	CN1CCC(C1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.0	6.401209493236885	0.5987905067631152	Same Family
[P06213, P08069]	CN1CCC(CC1)N2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	P06213	7.363512103646634	6.54515513999149	0.8183569636551447	Same Family
[P06213, P08069]	CN1CCC(CC1)Nc2cc(ccc2C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F)N6CCN(CC6)C	P08069	P06213	6.679853713888946	6.481486060122113	0.19836765376683285	Same Family
[P06213, P08069]	CN1CCC(CC1)Oc2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P06213	6.7423214251308154	6.707743928643524	0.0345774964872918	Same Family
[P06213, P08069]	CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.062983892535186	6.464705879957229	0.598278012577957	Same Family
[P06213, P08069]	CN1CCC(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	8.086186147616283	7.242603971206976	0.8435821764093072	Same Family
[P06213, P08069]	CN1CCCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	P06213	7.411168274405793	6.790484985457369	0.620683288948424	Same Family
[P06213, P08069]	CN1CCCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.110698297493689	6.4698003017969175	0.640897995696772	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CC(C2)c3nc(c4n3ncnc4N)c5ccc6ccc(nc6c5)c7ccccc7	P08069	P06213	7.6020599913279625	6.494850021680094	1.1072099696478688	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CC(C2)c3nc(c4n3ncnc4N)c5ccc6ccc(nc6c5F)c7ccccc7	P08069	P06213	7.853871964321762	7.167491087293763	0.6863808770279984	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3cc(c(cc3F)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl)OC	P08069	P06213	7.22548303427145	5.928486194904911	1.296996839366539	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5)Cl	P08069	P06213	7.287350298372789	7.087777943467585	0.19957235490520375	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C#N)Cl	P08069	P06213	7.287350298372789	6.892790030352131	0.39456026802065747	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N(C)C)Cl	P08069	P06213	8.209714835966759	8.21824462534753	0.008529789380771646	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N)Cl	P08069	P06213	8.853871964321762	8.468521082957745	0.3853508813640172	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5I)Cl	P08069	P06213	8.207608310501746	7.863279432843593	0.34432887765815234	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5OC)Cl	P08069	P06213	8.060480747381382	7.585026652029182	0.47545409535219996	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)C6CC6	P08069	P06213	6.36251027048749	6.43533393574791	0.07282366526042061	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	P06213	7.603800652904264	6.707743928643524	0.89605672426074	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)F	P08069	P06213	6.844663962534939	5.773915884024176	1.0707480785107624	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)OC	P08069	P06213	6.931814138253839	5.773657912836369	1.1581562254174695	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)C)Cl	P08069	P06213	9.119186407719209	8.292429823902063	0.8267565838171453	Same Family
[P06213, P08069]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)N(C)C)Cl	P08069	P06213	8.714442690992227	8.073657553374344	0.6407851376178826	Same Family
[P06213, P08069]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	P06213	6.512861624522814	6.698970004336019	0.18610837981320483	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)N)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	P06213	5.874518734299406	5.885055584287415	0.010536849988008967	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P06213	6.5123116717490825	6.4370593910149285	0.07525228073415402	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P06213	5.2168113089247425	5.417709317281006	0.2008980083562637	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P06213	6.746842210417746	6.679853713888946	0.06698849652880057	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cccc(c6)F	P08069	P06213	6.686132779630847	6.369572124974976	0.3165606546558708	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6ccccc6	P08069	P06213	6.044312249686494	5.827105302247824	0.21720694743867064	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NCC3CN(C3)C)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P06213	6.61261017366127	6.452225294612178	0.1603848790490927	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NCCF)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	P06213	6.567030709125595	6.335358024443875	0.23167268468171986	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	P06213	5.816365286849017	5.753501419204199	0.06286386764481744	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	7.692503962086787	7.042871802323187	0.6496321597636001	Same Family
[P06213, P08069]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	P06213	5.735134078457138	5.743282254022513	0.008148175565374949	Same Family
[P06213, P08069]	CNC(=O)CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	P06213	6.903089986991944	6.338187314462739	0.5649026725292048	Same Family
[P06213, P08069]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P06213	6.032920265855503	5.376750709602099	0.6561695562534036	Same Family
[P06213, P08069]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P06213	4.945210726547806	4.717076090663241	0.22813463588456528	Same Family
[P06213, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	P06213	4.657577319177793	4.366531544420414	0.2910457747573796	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)P(=O)(C)C	P08069	P06213	9.958607314841775	7.85078088734462	2.1078264274971543	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(C4)N5CCCCC5	P08069	P06213	7.088842391260023	6.568636235841013	0.52020615541901	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)CN5CCC5	P08069	P06213	7.5003129173815966	6.886056647693163	0.6142562696884335	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCCC5	P08069	P06213	7.692503962086787	7.069050968832477	0.6234529932543103	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCOCC5	P08069	P06213	7.325138859262188	6.568636235841013	0.7565026234211754	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)O	P08069	P06213	7.570247719997592	6.767003889607846	0.8032438303897464	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCN(CC4)CCO	P08069	P06213	7.892790030352131	7.55129368009492	0.34149635025721103	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCOCC4	P08069	P06213	7.289036881004725	6.399027104313252	0.890009776691473	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)OCCCN4CCCC4	P08069	P06213	7.7594507517174005	6.546681659952962	1.2127690917644385	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)P(=O)(C)C	P08069	P06213	6.856985199745905	6.139063379299906	0.7179218204459987	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)c4cnn(c4)C5CCNCC5	P08069	P06213	7.008330992620052	6.153662887870195	0.854668104749857	Same Family
[P06213, P08069]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C)Cl)P(=O)(C)C	P08069	P06213	9.397940008672037	8.327902142064282	1.0700378666077555	Same Family
[P06213, P08069]	COc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	P06213	7.655607726314889	7.2580609222708015	0.3975468040440875	Same Family
[P06213, P08069]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P08069	P06213	4.746904414150968	5.038958783046688	0.29205436889571956	Same Family
[P06213, P08069]	Cc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	P06213	7.568636235841013	6.767003889607846	0.8016323462331671	Same Family
[P06213, P08069]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P08069	P06213	5.300000211582967	5.499999678657065	0.19999946707409766	Same Family
[P06213, P08069]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P08069	P06213	5.300000211582967	5.300000202445418	9.137549383808619E-9	Same Family
[P06213, P08069]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P08069	P06213	5.249999839328533	5.40000018605658	0.15000034672804752	Same Family
[P06213, P08069]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P08069	P06213	5.150000182721775	5.100000128334196	0.05000005438757871	Same Family
[P06213, P08069]	Cc1cc(on1)CNc2ncc(c(n2)Nc3cc([nH]n3)CCCOC)Br	P08069	P06213	4.70000006855703	5.100000128334196	0.4000000597771667	Same Family
[P06213, P08069]	Cc1cc(on1)CNc2ncc(c(n2)Nc3cc([nH]n3)CCc4ccccc4)Br	P08069	P06213	5.100000118554677	5.59999938302362	0.4999992644689435	Same Family
[P06213, P08069]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	P08069	P06213	5.250000219777386	5.499999678657065	0.249999458879679	Same Family
[P06213, P08069]	Cc1cnc(nc1Nc2ccccc2P(=O)(C)C)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	P08069	P06213	6.892790030352131	6.316052869248488	0.5767371611036429	Same Family
[P06213, P08069]	Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C	P08069	P06213	2.537602002101044	6.0400051616715835	3.5024031595705396	Same Family
[P06213, P08069]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P06213	6.6020599913279625	6.468521082957745	0.13353890837021787	Same Family
[P06213, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P06213	5.638272163982407	5.5376020021010435	0.10067016188136346	Same Family
[P06213, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P06213	6.0	5.853871964321762	0.14612803567823818	Same Family
[P06213, P08069]	c1cc(c(cc1CN(Cc2ccc(c(c2)O)O)c3ccc4cn[nH]c4c3)O)O	P08069	P06213	6.7447274948966935	6.42021640338319	0.32451109151350366	Same Family
[P06213, P08069]	c1cc(c(cc1CNc2ccc3c(c2)OCO3)O)O	P08069	P06213	5.772113295386326	5.681936665037238	0.09017663034908807	Same Family
[P06213, P08069]	c1cc(c(cc1CNc2ccc3cn[nH]c3c2)O)O	P08069	P06213	5.823908740944319	5.647817481888637	0.17609125905568135	Same Family
[P06213, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P06213	5.267606240177032	5.221848749616356	0.045757490560675684	Same Family
[P06213, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P06213	5.292429823902063	5.275724130399211	0.016705693502852448	Same Family
[P06213, P08069]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P06213	6.359847428372498	5.807697862331014	0.5521495660414839	Same Family
[P06213, P08069]	c1cc(cc(c1)OCC23CCC(O2)CC3)c4cn(c5c4c(ncn5)N)C6CC(C6)CN7CCC7	P08069	P06213	7.4889460876798	6.602165186710104	0.8867809009696961	Same Family
[P06213, P08069]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P06213	5.769551078621726	5.356547323513812	0.41300375510791376	Same Family
[P06213, P08069]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)CN6CCCCC6	P08069	P06213	6.407823242604133	6.185086818724926	0.22273642387920667	Same Family
[P06213, P08069]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)N6CCNCC6	P08069	P06213	7.552841968657781	7.3872161432802645	0.16562582537751602	Same Family
[P06213, P08069]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P06213	5.3979400086720375	5.0655015487564325	0.33243845991560494	Same Family
[P06213, P08069]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P06213	7.366908937560798	6.163624385321103	1.2032845522396958	Same Family
[P06213, P08069]	c1ccc(cc1)c2ccc3ccc(c(c3n2)F)c4c5c(ncnn5c(n4)C6CC(C6)N7CCN(CC7)C=O)N	P08069	P06213	8.096910013008056	7.318758762624412	0.7781512503836439	Same Family
[P06213, P08069]	c1ccc(cc1)c2ccc3ccc(cc3n2)c4c5c(nccn5c(n4)C6CC(C6)CN7CCC7)N	P08069	P06213	7.510550889862614	7.119186407719209	0.39136448214340547	Same Family
[P06213, P08069]	c1ccc(cc1)c2ccc3ccc(cc3n2)c4c5c(ncnn5c(n4)C6CC(C6)N7CCN(CC7)C=O)N	P08069	P06213	7.585026652029182	6.585026652029182	1.0	Same Family
[P06213, P08069]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P06213	5.3979400086720375	5.585026652029182	0.1870866433571443	Same Family
[P06213, P08069]	c1ccc2cc(ccc2c1)N(Cc3ccc(c(c3)O)O)Cc4ccc(c(c4)O)O	P08069	P06213	5.610833915635467	5.795880017344075	0.18504610170860758	Same Family
[P06213, P08069]	c1ccc2cc(ccc2c1)NCc3ccc(c(c3)O)O	P08069	P06213	5.346787486224656	5.288192770958809	0.05859471526584681	Same Family
[P00533, P08069]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P00533	5.113509274827518	5.045757490560675	0.06775178426684292	Different Family
[P00533, P08069]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)Cc7ccccc7	P08069	P00533	7.3356063998227325	6.455931955649724	0.8796744441730082	Different Family
[P00533, P08069]	CCN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c(nc5n4ccs5)c6cccc(c6)NC(=O)c7c(cccc7F)F	P08069	P00533	6.668621084159213	7.301029995663981	0.6324089115047684	Different Family
[P00533, P08069]	CN(C)C1CCN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P08069	P00533	8.154901959985743	3.447331783887807	4.707570176097937	Different Family
[P00533, P08069]	CN(C)C1CN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P08069	P00533	7.585026652029182	3.0277971616209354	4.557229490408247	Different Family
[P00533, P08069]	CN(C)CC=CC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3cnn4c3cccc4)Cl)OC	P08069	P00533	8.397940008672037	4.638272163982407	3.7596678446896306	Different Family
[P00533, P08069]	CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC	P08069	P00533	5.154901959985743	4.958607314841775	0.19629464514396844	Different Family
[P00533, P08069]	CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2ncc(c(n2)c3cnn4c3cccc4)Cl)OC	P08069	P00533	8.221848749616356	3.838631997765025	4.3832167518513305	Different Family
[P00533, P08069]	CN(C)CCc1ccc(cc1)Nc2nccc(n2)c3c(nc4n3ccs4)c5cccc(c5)NC(=O)c6c(cccc6F)F	P08069	P00533	6.579633382694096	6.657577319177793	0.07794393648369713	Different Family
[P00533, P08069]	CN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P08069	P00533	8.698970004336019	4.920818753952375	3.778151250383644	Different Family
[P00533, P08069]	CN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3nccc(n3)c4c[nH]c5c4cccc5)OC	P08069	P00533	6.089909454405932	5.903437700822769	0.18647175358316304	Different Family
[P00533, P08069]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P00533	6.032920265855503	4.6020599913279625	1.4308602745275403	Different Family
[P00533, P08069]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P00533	4.945210726547806	4.645365019512084	0.2998457070357219	Different Family
[P00533, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	P00533	4.657577319177793	4.638272163982407	0.019305155195386448	Different Family
[P00533, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	P00533	5.060480747381382	4.657577319177793	0.4029034282035884	Different Family
[P00533, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	P00533	4.7447274948966935	4.853871964321762	0.10914446942506828	Different Family
[P00533, P08069]	COc1cc(ccc1O)C=C(C#N)c2ccccn2	P08069	P00533	5.5376020021010435	5.6777807052660805	0.140178703165037	Different Family
[P00533, P08069]	Cc1cnc(nc1c2cn(c3c2cccc3)C)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C	P08069	P00533	3.707743928643524	4.1487416512809245	0.44099772263740045	Different Family
[P00533, P08069]	Cn1cc(c2c1cccc2)c3c(cnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C)C#N	P08069	P00533	4.42021640338319	4.337242168318426	0.0829742350647642	Different Family
[P00533, P08069]	Cn1cc(c2c1cccc2)c3c(cnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C)Cl	P08069	P00533	4.3979400086720375	4.236572006437063	0.16136800223497438	Different Family
[P00533, P08069]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P00533	6.6020599913279625	6.161150909262744	0.44090908206521817	Different Family
[P00533, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P00533	5.638272163982407	5.886056647693163	0.24778448371075612	Different Family
[P00533, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P00533	6.0	6.221848749616356	0.22184874961635614	Different Family
[P00533, P08069]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P00533	6.522878745280337	3.721246399047171	2.8016323462331663	Different Family
[P00533, P08069]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P00533	6.359847428372498	5.638272163982407	0.7215752643900908	Different Family
[P00533, P08069]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P00533	5.769551078621726	5.823908740944319	0.05435766232259276	Different Family
[P00533, P08069]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc7c(c6)CCNC7	P08069	P00533	7.156681865368853	6.0	1.1566818653688529	Different Family
[P00533, P08069]	c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6cccc(c6)N7CCOCC7	P08069	P00533	6.703356966489771	6.214670164989233	0.48868680150053834	Different Family
[P00533, P08069]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P00533	7.366908937560798	5.2839966563652006	2.082912281195598	Different Family
[P00533, P08069]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P08069	P00533	5.638272163982407	5.022276394711152	0.6159957692712545	Different Family
[P00533, P08069]	c1ccc(cc1)Oc2ccc(cc2I)C=C(C#N)c3ccccn3	P08069	P00533	4.407823242604133	4.33913452199613	0.06868872060800246	Different Family
[P00533, P08069]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	P00533	4.0	4.0	0.0	Different Family
[P00533, P08069]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P00533	5.3979400086720375	5.337242168318426	0.06069784035361181	Different Family
[P00533, P08069]	c1ccnc(c1)C(=Cc2ccc(cc2)O)C#N	P08069	P00533	4.137868620686963	4.1444808443322	0.006612223645237059	Different Family
[P07949, P08069]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P08069	P07949	7.809894379144197	5.031517051446065	2.7783773276981316	Different Family
[P07949, P08069]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P08069	P07949	7.6338031200885155	6.013228265733755	1.6205748543547607	Different Family
[P07949, P08069]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P08069	P07949	7.555955204081924	8.389423339022647	0.8334681349407234	Different Family
[P07949, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	P07949	6.746842210417746	6.405607449624573	0.3412347607931734	Different Family
[P07949, P08069]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P07949	6.032920265855503	5.080921907623926	0.9519983582315765	Different Family
[P07949, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P07949	5.267606240177032	5.221848749616356	0.045757490560675684	Different Family
[P07949, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P07949	5.292429823902063	5.431798275933005	0.13936845203094173	Different Family
[P07949, P08069]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P07949	6.359847428372498	8.096910013008056	1.7370625846355585	Different Family
[P07949, P08069]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P07949	7.26301419893508	5.356547323513812	1.906466875421268	Different Family
[P07949, P08069]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P07949	5.3979400086720375	5.309803919971486	0.08813608870055134	Different Family
[P07949, P08069]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P07949	7.366908937560798	5.481486060122113	1.8854228774386854	Different Family
[P08069, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	Q96GD4	5.113509274827518	4.366531544420414	0.7469777304071039	Different Group
[P08069, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	Q96GD4	5.7121982700697735	4.214670164989233	1.4975281050805407	Different Group
[P08069, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	Q96GD4	4.928117992693875	5.410050398674292	0.48193240598041687	Different Group
[P08069, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	Q96GD4	6.512861624522814	6.910094888560602	0.397233264037788	Different Group
[P08069, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q96GD4	5.2168113089247425	5.490259984429618	0.2734486755048753	Different Group
[P08069, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q96GD4	6.746842210417746	6.471083299722345	0.2757589106954015	Different Group
[P08069, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q96GD4	5.816365286849017	6.245651664288981	0.429286377439964	Different Group
[P08069, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q96GD4	5.735134078457138	6.315154638355588	0.5800205598984496	Different Group
[P08069, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	Q96GD4	4.945210726547806	4.685805534974844	0.25940519157296205	Different Group
[P08069, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	Q96GD4	4.657577319177793	4.337242168318426	0.3203351508593677	Different Group
[P08069, Q96GD4]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P08069	Q96GD4	5.455931955649724	4.686132779630847	0.7697991760188776	Different Group
[P08069, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	Q96GD4	7.154901959985743	5.600326278518962	1.5545756814667815	Different Group
[P08069, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	Q96GD4	6.823908740944319	5.137272471682025	1.6866362692622934	Different Group
[P08069, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	Q96GD4	6.251811972993799	5.060980223551334	1.1908317494424656	Different Group
[P08069, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	Q96GD4	5.690369832574102	4.645891560852599	1.0444782717215029	Different Group
[P08069, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	Q96GD4	5.5003129173815966	4.419075024324381	1.0812378930572155	Different Group
[P08069, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	Q96GD4	5.557520230935552	4.600326278518962	0.9571939524165902	Different Group
[P08069, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	Q96GD4	6.6020599913279625	5.6020599913279625	1.0	Different Group
[P08069, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	Q96GD4	5.638272163982407	6.301029995663981	0.6627578316815743	Different Group
[P08069, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	Q96GD4	6.0	5.638272163982407	0.36172783601759306	Different Group
[P08069, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	Q96GD4	6.522878745280337	6.040958607678906	0.48192013760143126	Different Group
[P08069, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	Q96GD4	5.769551078621726	5.585026652029182	0.1845244265925441	Different Group
[P08069, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	Q96GD4	4.0	6.133712660915805	2.133712660915805	Different Group
[P06239, P08069]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P08069	P06239	7.809894379144197	5.309803919971486	2.5000904591727107	Different Family
[P06239, P08069]	CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	P08069	P06239	6.844663962534939	5.562090964460501	1.2825729980744374	Different Family
[P06239, P08069]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P08069	P06239	7.6338031200885155	5.130768280269024	2.5030348398194917	Different Family
[P06239, P08069]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	P06239	6.512861624522814	6.47755576649368	0.03530585802913411	Different Family
[P06239, P08069]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P08069	P06239	5.396855627379818	5.943095148663527	0.5462395212837095	Different Family
[P06239, P08069]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P06239	6.032920265855503	5.958607314841775	0.07431295101372815	Different Family
[P06239, P08069]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P08069	P06239	6.924638628008059	6.467245621007502	0.4573930070005563	Different Family
[P06239, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P06239	5.267606240177032	5.2839966563652006	0.01639041618816872	Different Family
[P06239, P08069]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P06239	5.292429823902063	5.522878745280337	0.2304489213782741	Different Family
[P06239, P08069]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P06239	6.359847428372498	6.161150909262744	0.1986965191097534	Different Family
[P06239, P08069]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P06239	7.26301419893508	5.050609993355088	2.2124042055799924	Different Family
[P06239, P08069]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCC(CC4)N)C(=O)N)Cl	P08069	P06239	4.920818753952375	6.0	1.079181246047625	Different Family
[P06239, P08069]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P06239	5.3979400086720375	5.698970004336019	0.30102999566398125	Different Family
[P06239, P08069]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P06239	7.366908937560798	5.251811972993799	2.115096964566999	Different Family
[P08069, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P12931	5.113509274827518	5.356547323513812	0.24303804868629442	Different Family
[P08069, P12931]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P08069	P12931	7.555955204081924	7.122628654130226	0.4333265499516976	Different Family
[P08069, P12931]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	P12931	5.7121982700697735	5.657577319177793	0.05462095089198016	Different Family
[P08069, P12931]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P12931	4.928117992693875	5.064492734175287	0.13637474148141226	Different Family
[P08069, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	P12931	6.512861624522814	5.363512103646634	1.1493495208761795	Different Family
[P08069, P12931]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P08069	P12931	5.396855627379818	6.142667503568732	0.7458118761889141	Different Family
[P08069, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P12931	6.032920265855503	5.2403321553103694	0.7925881105451333	Different Family
[P08069, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P12931	4.945210726547806	4.68837535480105	0.25683537174675664	Different Family
[P08069, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	P12931	4.657577319177793	4.853871964321762	0.19629464514396844	Different Family
[P08069, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	P12931	5.060480747381382	5.346787486224656	0.2863067388432743	Different Family
[P08069, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	P12931	4.7447274948966935	5.040958607678906	0.2962311127822126	Different Family
[P08069, P12931]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P08069	P12931	5.455931955649724	4.698970004336019	0.7569619513137056	Different Family
[P08069, P12931]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P12931	7.154901959985743	6.431798275933005	0.7231036840527381	Different Family
[P08069, P12931]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P12931	6.823908740944319	6.309803919971486	0.5141048209728325	Different Family
[P08069, P12931]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P08069	P12931	4.746904414150968	5.6136794261059535	0.8667750119549851	Different Family
[P08069, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P12931	6.251811972993799	5.448550002027125	0.8032619709666742	Different Family
[P08069, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	P12931	5.690369832574102	4.8996294548824375	0.7907403776916642	Different Family
[P08069, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	P12931	5.616184634019569	5.649751981665837	0.0335673476462679	Different Family
[P08069, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	P12931	5.638272163982407	5.8297382846050425	0.19146612062263557	Different Family
[P08069, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	P12931	5.609064892896621	5.663540266151471	0.05447537325485019	Different Family
[P08069, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	P12931	5.5003129173815966	5.619788758288394	0.11947584090679708	Different Family
[P08069, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	P12931	5.557520230935552	5.718966632752273	0.16144640181672099	Different Family
[P08069, P12931]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P08069	P12931	5.480172006224281	4.705533773838407	0.7746382323858745	Different Family
[P08069, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P12931	6.6020599913279625	6.096910013008056	0.5051499783199063	Different Family
[P08069, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P12931	5.638272163982407	5.721246399047171	0.0829742350647642	Different Family
[P08069, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P12931	6.0	6.154901959985743	0.15490195998574308	Different Family
[P08069, P12931]	c1cc(c(cc1CNc2ccc3c(c2)OCO3)O)O	P08069	P12931	5.772113295386326	5.730487055782084	0.041626239604242166	Different Family
[P08069, P12931]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P12931	6.522878745280337	6.920818753952375	0.3979400086720375	Different Family
[P08069, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P12931	5.267606240177032	5.337242168318426	0.06963592814139385	Different Family
[P08069, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P12931	5.292429823902063	5.6020599913279625	0.3096301674258992	Different Family
[P08069, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P12931	5.769551078621726	5.698970004336019	0.07058107428570715	Different Family
[P08069, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P12931	5.3979400086720375	5.337242168318426	0.06069784035361181	Different Family
[P08069, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P12931	7.366908937560798	5.3979400086720375	1.9689689288887608	Different Family
[P08069, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P12931	5.3979400086720375	5.42021640338319	0.022276394711152392	Different Family
[P08069, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	Q05397	5.113509274827518	4.552841968657781	0.5606673061697371	Different Family
[P08069, Q05397]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	Q05397	5.7121982700697735	5.518557371497695	0.19364089857207833	Different Family
[P08069, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	Q05397	4.928117992693875	5.341035157335565	0.4129171646416898	Different Family
[P08069, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q05397	6.746842210417746	6.853871964321762	0.10702975390401548	Different Family
[P08069, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	Q05397	4.945210726547806	6.1001574545454496	1.1549467279976433	Different Family
[P08069, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	Q05397	4.657577319177793	5.022276394711152	0.364699075533359	Different Family
[P08069, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	Q05397	4.7447274948966935	4.3979400086720375	0.34678748622465605	Different Family
[P08069, Q05397]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P08069	Q05397	5.455931955649724	4.686132779630847	0.7697991760188776	Different Family
[P08069, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	Q05397	7.154901959985743	6.376750709602099	0.7781512503836439	Different Family
[P08069, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	Q05397	6.823908740944319	6.096910013008056	0.7269987279362624	Different Family
[P08069, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	Q05397	6.251811972993799	5.123782159408358	1.1280298135854414	Different Family
[P08069, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	Q05397	5.690369832574102	4.787812395596042	0.9025574369780598	Different Family
[P08069, Q05397]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P08069	Q05397	6.924638628008059	6.823908740944319	0.10072988706374009	Different Family
[P08069, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	Q05397	5.616184634019569	5.0034883278458215	0.6126963061737474	Different Family
[P08069, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	Q05397	5.638272163982407	4.97061622231479	0.6676559416676167	Different Family
[P08069, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	Q05397	5.609064892896621	5.016373712875465	0.5926911800211556	Different Family
[P08069, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	Q05397	5.5003129173815966	4.772113295386326	0.7281996219952704	Different Family
[P08069, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	Q05397	5.557520230935552	4.87942606879415	0.6780941621414014	Different Family
[P08069, Q05397]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P08069	Q05397	5.480172006224281	5.1090204030103115	0.37115160321396967	Different Family
[P08069, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	Q05397	6.6020599913279625	5.507239610973163	1.0948203803547996	Different Family
[P08069, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	Q05397	5.638272163982407	5.6777807052660805	0.03950854128367354	Different Family
[P08069, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	Q05397	6.0	5.455931955649724	0.5440680443502757	Different Family
[P08069, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	Q05397	6.522878745280337	5.920818753952375	0.6020599913279625	Different Family
[P08069, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	Q05397	5.769551078621726	5.136677139879544	0.6328739387421818	Different Family
[P08069, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	Q05397	5.3979400086720375	5.356547323513812	0.04139268515822536	Different Family
[P08069, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P35968	5.113509274827518	5.356547323513812	0.24303804868629442	Different Family
[P08069, P35968]	CC(C)c1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P08069	P35968	6.399996913372259	6.399996913372259	0.0	Different Family
[P08069, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P08069	P35968	7.555955204081924	6.982966660701219	0.5729885433807045	Different Family
[P08069, P35968]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	P35968	5.7121982700697735	5.653647025549361	0.05855124452041238	Different Family
[P08069, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P35968	4.928117992693875	5.317854923626168	0.3897369309322931	Different Family
[P08069, P35968]	CCCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P08069	P35968	5.800000874803203	6.900008766455316	1.1000078916521128	Different Family
[P08069, P35968]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)c4ccccn4)Br	P08069	P35968	7.0	5.499999678657065	1.5000003213429354	Different Family
[P08069, P35968]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P08069	P35968	5.499999678657065	6.299997602857746	0.7999979242006816	Different Family
[P08069, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P35968	6.032920265855503	5.107905397309519	0.9250148685459836	Different Family
[P08069, P35968]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P08069	P35968	4.0	5.899998417198648	1.8999984171986481	Different Family
[P08069, P35968]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P08069	P35968	4.900000142057633	5.800000874803203	0.9000007327455704	Different Family
[P08069, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3ccnc(n3)NCc4ccccn4	P08069	P35968	4.100000018985305	6.399996913372259	2.299996894386954	Different Family
[P08069, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	P35968	4.657577319177793	7.508638306165727	2.8510609869879335	Different Family
[P08069, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	P35968	5.060480747381382	5.508638306165727	0.44815755878434516	Different Family
[P08069, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	P35968	4.7447274948966935	5.795880017344075	1.0511525224473814	Different Family
[P08069, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P35968	7.154901959985743	6.494850021680094	0.6600519383056493	Different Family
[P08069, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P35968	6.823908740944319	6.4089353929735005	0.4149733479708182	Different Family
[P08069, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P35968	6.251811972993799	5.2247537402597635	1.0270582327340358	Different Family
[P08069, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	P35968	5.690369832574102	4.578396073130169	1.1119737594439325	Different Family
[P08069, P35968]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P08069	P35968	6.924638628008059	5.853871964321762	1.070766663686297	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P08069	P35968	5.300000211582967	6.049999517423265	0.7499993058402978	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCCc3c[nH]nc3C)Br	P08069	P35968	5.200000237109354	6.299997602857746	1.0999973657483926	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cc(no3)C)Br	P08069	P35968	4.800000052738446	6.299997602857746	1.4999975501193	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P08069	P35968	5.300000211582967	6.199998172182031	0.8999979605990642	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3ccco3)Br	P08069	P35968	5.40000018605658	6.699991797446187	1.2999916113896068	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(=O)N4CCCC4)Br	P08069	P35968	5.0	4.800000052738446	0.19999994726155368	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P08069	P35968	5.249999839328533	5.40000018605658	0.15000034672804752	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P08069	P35968	5.150000182721775	5.699999204645692	0.5499990219239175	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Cl	P08069	P35968	5.100000128334196	6.299997602857746	1.19999747452355	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P08069	P35968	4.900000142057633	5.800000874803203	0.9000007327455704	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cnc(cn3)C)Br	P08069	P35968	4.900000142057633	6.0	1.0999998579423673	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C	P08069	P35968	4.900000142057633	6.0	1.0999998579423673	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P08069	P35968	5.100000128334196	5.899998417198648	0.7999982888644519	Different Family
[P08069, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P08069	P35968	5.0	6.0999990348465305	1.0999990348465305	Different Family
[P08069, P35968]	Cc1cc(no1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	P08069	P35968	4.900000142057633	6.900008766455316	2.000008624397683	Different Family
[P08069, P35968]	Cc1cc(on1)CNc2ncc(c(n2)Nc3cc([nH]n3)CCCOC)Br	P08069	P35968	4.70000006855703	5.899998417198648	1.1999983486416186	Different Family
[P08069, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCCOC	P08069	P35968	4.499999953328896	5.59999938302362	1.0999994296947246	Different Family
[P08069, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	P08069	P35968	4.800000052738446	6.900008766455316	2.1000087137168695	Different Family
[P08069, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CO	P08069	P35968	4.399999967876858	4.70000006855703	0.3000001006801716	Different Family
[P08069, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	P35968	5.616184634019569	5.337242168318426	0.2789424657011432	Different Family
[P08069, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	P35968	5.638272163982407	5.314258261397736	0.3240139025846709	Different Family
[P08069, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	P35968	5.609064892896621	5.221125527997261	0.3879393648993599	Different Family
[P08069, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	P35968	5.5003129173815966	5.305394801066432	0.19491811631516498	Different Family
[P08069, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	P35968	5.557520230935552	5.361510743045363	0.1960094878901888	Different Family
[P08069, P35968]	Cc1cccnc1CNc2ncc(c(n2)Nc3cc([nH]n3)C)Br	P08069	P35968	4.300000029139089	6.299997602857746	1.999997573718657	Different Family
[P08069, P35968]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P08069	P35968	5.480172006224281	5.436518914605589	0.04365309161869213	Different Family
[P08069, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P35968	6.6020599913279625	6.102372908709558	0.49968708261840433	Different Family
[P08069, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P35968	5.638272163982407	5.920818753952375	0.28254658996996795	Different Family
[P08069, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P35968	6.0	6.221848749616356	0.22184874961635614	Different Family
[P08069, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P35968	6.522878745280337	6.552841968657781	0.02996322337744317	Different Family
[P08069, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P35968	5.267606240177032	5.301029995663981	0.033423755486949425	Different Family
[P08069, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P35968	5.292429823902063	6.0	0.7075701760979367	Different Family
[P08069, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P35968	6.359847428372498	6.356547323513812	0.003300104858685593	Different Family
[P08069, P35968]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P35968	7.26301419893508	5.180456064458132	2.0825581344769484	Different Family
[P08069, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P35968	5.769551078621726	5.886056647693163	0.11650556907143717	Different Family
[P08069, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P35968	5.3979400086720375	5.3872161432802645	0.010723865391772947	Different Family
[P08069, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P35968	7.366908937560798	5.1487416512809245	2.218167286279874	Different Family
[P08069, P35968]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P08069	P35968	5.638272163982407	5.366531544420414	0.27174061956199314	Different Family
[P08069, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	P35968	4.0	5.2247537402597635	1.2247537402597635	Different Family
[P08069, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P35968	5.3979400086720375	5.3872161432802645	0.010723865391772947	Different Family
[P08069, P24941]	CC(=O)N1CCC(CC1)n2cc(c(n2)OC)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	6.864125650307915	6.306273051076353	0.5578525992315617	Different Group
[P08069, P24941]	CC(=O)N1CCC(CC1)n2cc(c(n2)OC)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.323523044144956	6.442492798094342	0.8810302460506136	Different Group
[P08069, P24941]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.059536067366457	7.6020599913279625	0.5425239239615056	Different Group
[P08069, P24941]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3cc(ncn3)c4c[nH]c5c4ccnc5	P08069	P24941	4.392384156756868	4.852014679316195	0.4596305225593271	Different Group
[P08069, P24941]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.849485002168009	5.987162775294828	1.8623222268731814	Different Group
[P08069, P24941]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5	P08069	P24941	6.015472686656207	5.700057099977233	0.3154155866789745	Different Group
[P08069, P24941]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P24941	5.113509274827518	4.638272163982407	0.4752371108451108	Different Group
[P08069, P24941]	CCOc1c(cn(n1)C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.934833115752497	6.2636034977233574	1.6712296180291393	Different Group
[P08069, P24941]	CCc1c(cn(n1)C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.4092211130686065	6.94692155651658	0.4622995565520265	Different Group
[P08069, P24941]	CCc1c(cnn1C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.239758233629604	6.079876673709276	1.1598815599203274	Different Group
[P08069, P24941]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	P24941	6.512861624522814	5.928117992693875	0.584743631828939	Different Group
[P08069, P24941]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3cc(ncn3)c4c[nH]c5c4ccnc5	P08069	P24941	4.466927339951187	4.910271466925264	0.4433441269740763	Different Group
[P08069, P24941]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5	P08069	P24941	5.827105302247824	5.740167300936516	0.08693800131130747	Different Group
[P08069, P24941]	CN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)c4c[nH]c5c4cccc5	P08069	P24941	5.618163200001657	4.4786657432224315	1.1394974567792255	Different Group
[P08069, P24941]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)c4c[nH]c5c4ccnc5)Cl	P08069	P24941	7.522878745280337	7.698970004336019	0.17609125905568135	Different Group
[P08069, P24941]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P24941	4.945210726547806	5.161150909262744	0.2159401827149381	Different Group
[P08069, P24941]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.629854553292707	6.154901959985743	1.4749525933069636	Different Group
[P08069, P24941]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C)C)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.13420561740663	5.774690718274137	1.3595148991324937	Different Group
[P08069, P24941]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.561314327065112	5.860120913598763	1.7011934134663491	Different Group
[P08069, P24941]	Cc1c(c(n(n1)C2CCNCC2)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.77642098432889	5.818156412055227	1.958264572273663	Different Group
[P08069, P24941]	Cc1c(cn(n1)C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.378480975656853	6.8696662315049934	0.5088147441518593	Different Group
[P08069, P24941]	Cc1c(cn(n1)C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.949814727441218	7.200659450546419	0.7491552768947995	Different Group
[P08069, P24941]	Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.34391132178011	6.406713932979542	0.937197388800568	Different Group
[P08069, P24941]	Cc1c(cnn1C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.259709106585415	6.634512015109101	0.6251970914763145	Different Group
[P08069, P24941]	Cc1c(cnn1C2CCN(CC2)C(=O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P08069	P24941	7.7827155479829	6.5951662833800615	1.187549264602839	Different Group
[P08069, P24941]	Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P08069	P24941	7.556754637413759	6.406713932979542	1.1500407044342165	Different Group
[P08069, P24941]	Cc1c2c(ccn1)c(c[nH]2)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C	P08069	P24941	7.292429823902063	4.760250189553636	2.5321796343484273	Different Group
[P08069, P24941]	Cc1c2c(ccn1)c(cn2C)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C	P08069	P24941	5.498393077581171	4.862867523991007	0.6355255535901643	Different Group
[P08069, P24941]	Cc1cc2c(c[nH]c2cn1)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C	P08069	P24941	7.142667503568732	4.979804510246805	2.1628629933219266	Different Group
[P08069, P24941]	Cn1cc(c2c1cncc2)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C	P08069	P24941	6.108462542327436	5.349401101827343	0.7590614405000924	Different Group
[P08069, P24941]	c1c[nH]c2c1c(ccn2)c3c[nH]c4c3ccnc4	P08069	P24941	5.097344524782074	6.503070351926785	1.4057258271447104	Different Group
[P08069, P24941]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P24941	6.359847428372498	6.3872161432802645	0.027368714907766822	Different Group
[P08069, P24941]	c1cc(ccc1c2nccc(n2)c3c[nH]c4c3ccnc4)C(=O)NC5CCCC5	P08069	P24941	4.169238161250293	4.33832926395964	0.16909110270934669	Different Group
[P08069, P24941]	c1ccc(cc1)C=Cc2nccc(n2)c3c[nH]c4c3ccnc4	P08069	P24941	4.328438410892942	5.286005732339356	0.9575673214464135	Different Group
[P08069, P24941]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P08069	P24941	5.638272163982407	5.292429823902063	0.34584234008034365	Different Group
[P08069, P24941]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P24941	5.3979400086720375	5.443697499232713	0.045757490560675684	Different Group
[P08069, P53350]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	P53350	5.7121982700697735	4.0	1.7121982700697735	Different Group
[P08069, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P53350	4.928117992693875	4.663540266151471	0.2645777265424041	Different Group
[P08069, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P53350	7.154901959985743	5.497572880015567	1.657329079970176	Different Group
[P08069, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P53350	6.823908740944319	5.199970640755866	1.623938100188453	Different Group
[P08069, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P53350	6.251811972993799	4.928117992693875	1.3236939802999244	Different Group
[P08069, P53350]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	P53350	5.638272163982407	4.0	1.638272163982407	Different Group
[P08069, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P53350	6.6020599913279625	5.476253533188435	1.125806458139527	Different Group
[P08069, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P53350	5.638272163982407	5.4089353929735005	0.22933677100890648	Different Group
[P08069, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P53350	6.0	5.1938200260161125	0.8061799739838875	Different Group
[P08069, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P53350	6.522878745280337	5.2403321553103694	1.282546589969968	Different Group
[P08069, P53350]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	P53350	4.0	4.0	0.0	Different Group
[P08069, P53350]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P53350	5.3979400086720375	5.00436480540245	0.39357520326958717	Different Group
[P08069, P11362]	CC(C)c1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P08069	P11362	6.399996913372259	7.199970640755866	0.7999737273836063	Different Family
[P08069, P11362]	CCCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P08069	P11362	5.800000874803203	7.599980364934842	1.7999794901316388	Different Family
[P08069, P11362]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)c4ccccn4)Br	P08069	P11362	7.0	7.100015437450609	0.10001543745060903	Different Family
[P08069, P11362]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P08069	P11362	5.499999678657065	7.400007822415902	1.9000081437588374	Different Family
[P08069, P11362]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P08069	P11362	4.0	7.199970640755866	3.1999706407558657	Different Family
[P08069, P11362]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P08069	P11362	4.900000142057633	7.599980364934842	2.699980222877209	Different Family
[P08069, P11362]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3ccnc(n3)NCc4ccccn4	P08069	P11362	4.100000018985305	8.299988937677888	4.199988918692583	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P08069	P11362	5.300000211582967	5.849998925419548	0.5499987138365814	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCCc3c[nH]nc3C)Br	P08069	P11362	5.200000237109354	6.900008766455316	1.7000085293459621	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cc(no3)C)Br	P08069	P11362	4.800000052738446	6.399996913372259	1.599996860633813	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P08069	P11362	5.300000211582967	5.949998492940683	0.6499982813577159	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3ccco3)Br	P08069	P11362	5.40000018605658	6.699991797446187	1.2999916113896068	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(=O)N4CCCC4)Br	P08069	P11362	5.0	5.300000202445418	0.3000002024454176	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P08069	P11362	5.249999839328533	7.150018134498604	1.9000182951700708	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P08069	P11362	5.150000182721775	6.9999843876746315	1.8499842049528565	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Cl	P08069	P11362	5.100000128334196	7.50003813440381	2.4000380060696136	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P08069	P11362	4.900000142057633	6.699991797446187	1.7999916553885544	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cnc(cn3)C)Br	P08069	P11362	4.900000142057633	7.0	2.0999998579423673	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C	P08069	P11362	4.900000142057633	7.100015437450609	2.2000152953929764	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P08069	P11362	5.100000128334196	7.0	1.8999998716658038	Different Family
[P08069, P11362]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P08069	P11362	5.0	7.599980364934842	2.599980364934842	Different Family
[P08069, P11362]	Cc1cc(no1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	P08069	P11362	4.900000142057633	8.700057099977233	3.8000569579196	Different Family
[P08069, P11362]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCCOC	P08069	P11362	4.499999953328896	7.100015437450609	2.6000154841217133	Different Family
[P08069, P11362]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	P08069	P11362	4.800000052738446	8.100015437450608	3.300015384712162	Different Family
[P08069, P11362]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CO	P08069	P11362	4.399999967876858	6.0999990348465305	1.6999990669696725	Different Family
[P08069, P11362]	Cc1cccnc1CNc2ncc(c(n2)Nc3cc([nH]n3)C)Br	P08069	P11362	4.300000029139089	7.100015437450609	2.80001540831152	Different Family
[P08069, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P11362	7.366908937560798	5.366531544420414	2.0003773931403845	Different Family
[P08069, P08581]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P08581	5.113509274827518	4.5376020021010435	0.5759072727264742	Different Family
[P08069, P08581]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	P08581	5.7121982700697735	4.394694953858891	1.3175033162108827	Different Family
[P08069, P08581]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P08581	4.928117992693875	5.505845405981558	0.5777274132876826	Different Family
[P08069, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	P08581	6.512861624522814	6.752026733638194	0.2391651091153797	Different Family
[P08069, P08581]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P08069	P08581	5.396855627379818	4.863279432843593	0.5335761945362245	Different Family
[P08069, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P08581	6.032920265855503	4.6020599913279625	1.4308602745275403	Different Family
[P08069, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P08581	4.945210726547806	4.455931955649724	0.4892787708980819	Different Family
[P08069, P08581]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P08581	7.154901959985743	6.236572006437063	0.91832995354868	Different Family
[P08069, P08581]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P08581	6.823908740944319	5.950781977329818	0.8731267636145006	Different Family
[P08069, P08581]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P08581	6.251811972993799	5.06398920428479	1.187822768709009	Different Family
[P08069, P08581]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	P08581	5.690369832574102	5.015472686656207	0.6748971459178943	Different Family
[P08069, P08581]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P08069	P08581	6.924638628008059	5.3124710387853655	1.6121675892226932	Different Family
[P08069, P08581]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	P08581	5.616184634019569	4.3223930472795065	1.2937915867400624	Different Family
[P08069, P08581]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	P08581	5.638272163982407	4.560667306169737	1.0776048578126698	Different Family
[P08069, P08581]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	P08581	5.609064892896621	4.145693958198919	1.4633709346977017	Different Family
[P08069, P08581]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	P08581	5.5003129173815966	4.468521082957745	1.031791834423852	Different Family
[P08069, P08581]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	P08581	5.557520230935552	4.107905397309519	1.4496148336260326	Different Family
[P08069, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P08581	6.6020599913279625	6.236572006437063	0.3654879848908994	Different Family
[P08069, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P08581	5.638272163982407	5.958607314841775	0.3203351508593677	Different Family
[P08069, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P08581	6.0	6.096910013008056	0.09691001300805624	Different Family
[P08069, P08581]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P08581	6.522878745280337	6.236572006437063	0.2863067388432743	Different Family
[P08069, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	P08581	5.267606240177032	5.2441251443275085	0.023481095849523292	Different Family
[P08069, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	P08581	5.292429823902063	5.366531544420414	0.07410172051835051	Different Family
[P08069, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P08581	5.769551078621726	5.552841968657781	0.21670910996394532	Different Family
[P08069, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	P08581	5.3979400086720375	5.292429823902063	0.1055101847699742	Different Family
[P08069, P08581]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P08581	5.3979400086720375	5.481486060122113	0.08354605145007543	Different Family
[P08069, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	Q02763	5.113509274827518	4.958607314841775	0.15490195998574308	Different Family
[P08069, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P08069	Q02763	5.396855627379818	5.497572880015567	0.10071725263574915	Different Family
[P08069, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	Q02763	6.032920265855503	7.365243527891042	1.3323232620355396	Different Family
[P08069, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	Q02763	4.945210726547806	5.841805124463402	0.8965943979155959	Different Family
[P08069, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	Q02763	4.657577319177793	5.2839966563652006	0.6264193371874072	Different Family
[P08069, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	Q02763	5.060480747381382	4.585026652029182	0.47545409535219996	Different Family
[P08069, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	Q02763	4.7447274948966935	4.958607314841775	0.2138798199450811	Different Family
[P08069, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	Q02763	6.6020599913279625	6.585026652029182	0.017033339298780703	Different Family
[P08069, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	Q02763	5.638272163982407	6.096910013008056	0.4586378490256493	Different Family
[P08069, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	Q02763	6.0	6.221848749616356	0.22184874961635614	Different Family
[P08069, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	Q02763	5.769551078621726	5.7447274948966935	0.02482358372503235	Different Family
[P08069, Q02763]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P08069	Q02763	5.638272163982407	5.050609993355088	0.5876621706273193	Different Family
[P08069, Q9UM73]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.488116639021126	9.229147988357855	1.7410313493367298	Different Group
[P08069, Q9UM73]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P08069	Q9UM73	8.876148359032914	8.79860287567955	0.07754548335336509	Different Group
[P08069, Q9UM73]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	Q9UM73	9.327902142064282	9.102372908709558	0.22552923335472386	Different Group
[P08069, Q9UM73]	CC(C)Oc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P08069	Q9UM73	6.692503962086787	9.167491087293763	2.474987125206976	Different Group
[P08069, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	Q9UM73	8.721246399047171	9.508638306165727	0.7873919071185558	Different Group
[P08069, Q9UM73]	CC(c1ccc2c(c1)c(n[nH]2)NC(=O)c3ccc(cc3NC4CCOCC4)N5CCN(CC5)C)c6cc(cc(c6)F)F	P08069	Q9UM73	6.866461091629782	7.475197193702513	0.6087361020727311	Different Group
[P08069, Q9UM73]	CC(c1ccccc1)NC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	P08069	Q9UM73	4.977159389123472	5.640915297304346	0.6637559081808737	Different Group
[P08069, Q9UM73]	CC(c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl)O	P08069	Q9UM73	7.442492798094342	9.00436480540245	1.5618720073081072	Different Group
[P08069, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	Q9UM73	5.7121982700697735	6.013228265733755	0.30102999566398125	Different Group
[P08069, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	Q9UM73	4.928117992693875	5.6595558851598815	0.7314378924660065	Different Group
[P08069, Q9UM73]	CCOc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P08069	Q9UM73	6.987162775294828	9.1249387366083	2.137775961313472	Different Group
[P08069, Q9UM73]	CCP(=O)(CC)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P08069	Q9UM73	7.345823458122039	9.920818753952375	2.5749952958303357	Different Group
[P08069, Q9UM73]	CN(C)C1CCN(C1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.369572124974976	9.481486060122112	2.111913935147136	Different Group
[P08069, Q9UM73]	CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	8.494850021680094	9.681255135243745	1.1864051135636515	Different Group
[P08069, Q9UM73]	CN(C)CCN(C)C(=O)c1ccc(c(c1)NC2CCOCC2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q9UM73	6.438898616350944	7.823908740944319	1.385010124593375	Different Group
[P08069, Q9UM73]	CN1CCC(C1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.0	9.481486060122112	2.481486060122112	Different Group
[P08069, Q9UM73]	CN1CCC(CC1)N2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	Q9UM73	7.363512103646634	9.55284196865778	2.189329865011146	Different Group
[P08069, Q9UM73]	CN1CCC(CC1)Nc2cc(ccc2C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F)N6CCN(CC6)C	P08069	Q9UM73	6.679853713888946	7.823908740944319	1.1440550270553729	Different Group
[P08069, Q9UM73]	CN1CCC(CC1)Oc2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q9UM73	6.7423214251308154	8.045757490560675	1.3034360654298593	Different Group
[P08069, Q9UM73]	CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.062983892535186	9.267606240177031	2.2046223476418447	Different Group
[P08069, Q9UM73]	CN1CCC(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	8.086186147616283	9.42021640338319	1.3340302557669066	Different Group
[P08069, Q9UM73]	CN1CCCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	Q9UM73	7.411168274405793	9.309803919971486	1.898635645565693	Different Group
[P08069, Q9UM73]	CN1CCCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.110698297493689	9.142667503568731	2.0319692060750416	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3cc(c(cc3F)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl)OC	P08069	Q9UM73	7.22548303427145	8.987162775294827	1.7616797410233769	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5)Cl	P08069	Q9UM73	7.287350298372789	8.00436480540245	0.7170145070296607	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C#N)Cl	P08069	Q9UM73	7.287350298372789	8.730487055782083	1.4431367574092944	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N(C)C)Cl	P08069	Q9UM73	8.209714835966759	8.321481620959887	0.11176678499312764	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N)Cl	P08069	Q9UM73	8.853871964321762	9.096910013008056	0.24303804868629442	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5I)Cl	P08069	Q9UM73	8.207608310501746	8.866461091629782	0.6588527811280365	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5OC)Cl	P08069	Q9UM73	8.060480747381382	8.72584215073632	0.6653614033549378	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)C6CC6	P08069	Q9UM73	6.36251027048749	8.490797477668897	2.1282872071814074	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	Q9UM73	7.603800652904264	9.431798275933005	1.8279976230287414	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)F	P08069	Q9UM73	6.844663962534939	9.4089353929735	2.564271430438562	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)OC	P08069	Q9UM73	6.931814138253839	8.924453038607469	1.9926389003536302	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)C)Cl	P08069	Q9UM73	9.119186407719209	9.229147988357855	0.1099615806386467	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)N(C)C)Cl	P08069	Q9UM73	8.714442690992227	9.1249387366083	0.4104960456160729	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)N)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q9UM73	5.874518734299406	7.173925197299173	1.2994064629997668	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q9UM73	6.5123116717490825	7.5043869621537524	0.9920752904046699	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q9UM73	5.2168113089247425	6.001796705901862	0.7849853969771194	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q9UM73	6.746842210417746	7.590228032229065	0.843385821811319	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cccc(c6)F	P08069	Q9UM73	6.686132779630847	7.522878745280337	0.8367459656494907	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6ccccc6	P08069	Q9UM73	6.044312249686494	6.97469413473523	0.9303818850487353	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCC3CN(C3)C)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	Q9UM73	6.61261017366127	7.173925197299173	0.5613150236379028	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCF)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q9UM73	6.567030709125595	7.853871964321762	1.2868412551961672	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q9UM73	5.816365286849017	6.531969441695006	0.7156041548459893	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	7.692503962086787	9.744727494896694	2.052223532809906	Different Group
[P08069, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P08069	Q9UM73	5.735134078457138	6.910353397211313	1.1752193187541753	Different Group
[P08069, Q9UM73]	CNC(=O)CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P08069	Q9UM73	6.903089986991944	8.508638306165727	1.6055483191737832	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCC(=O)c4ccccc4	P08069	Q9UM73	5.3872161432802645	5.531652669587842	0.14443652630757775	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCCCc4ccccc4	P08069	Q9UM73	5.1944991418416	5.1732774798310075	0.021221662010592723	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4ccc(cc4)Cl	P08069	Q9UM73	5.728158393463501	7.022276394711152	1.294118001247651	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4ccc(cc4)OC(F)(F)F	P08069	Q9UM73	6.09799710864927	8.0	1.9020028913507296	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)C(=O)OC	P08069	Q9UM73	5.051098239029787	7.2182594573027945	2.167161218273008	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)Cl	P08069	Q9UM73	6.438898616350944	6.8714007869303275	0.4325021705793839	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)OC(F)(F)F	P08069	Q9UM73	6.935542010773082	7.512514002850965	0.5769719920778833	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)Oc5ccccc5	P08069	Q9UM73	5.557520230935552	6.716698771296451	1.159178540360899	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)[N+](=O)[O-]	P08069	Q9UM73	6.298432014944073	7.154901959985743	0.8564699450416704	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4ccccc4	P08069	Q9UM73	5.213248577854439	6.438898616350944	1.2256500384965046	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4ccccc4Cl	P08069	Q9UM73	5.149966742310231	6.231361898752386	1.081395156442155	Different Group
[P08069, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCCC(C3)C(=O)Nc4ccccc4	P08069	Q9UM73	5.18111458540599	6.079354998593212	0.8982404131872217	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)P(=O)(C)C	P08069	Q9UM73	9.958607314841775	9.167491087293763	0.7911162275480113	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(C4)N5CCCCC5	P08069	Q9UM73	7.088842391260023	9.05551732784983	1.9666749365898077	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)CN5CCC5	P08069	Q9UM73	7.5003129173815966	9.05551732784983	1.5552044104682343	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCCC5	P08069	Q9UM73	7.692503962086787	9.275724130399212	1.5832201683124243	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCOCC5	P08069	Q9UM73	7.325138859262188	9.309803919971486	1.9846650607092977	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)O	P08069	Q9UM73	7.570247719997592	9.443697499232712	1.87344977923512	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCN(CC4)CCO	P08069	Q9UM73	7.892790030352131	9.744727494896694	1.8519374645445623	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCOCC4	P08069	Q9UM73	7.289036881004725	9.619788758288394	2.330751877283669	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)OCCCN4CCCC4	P08069	Q9UM73	7.7594507517174005	9.657577319177793	1.8981265674603929	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)P(=O)(C)C	P08069	Q9UM73	6.856985199745905	8.97469413473523	2.1177089349893254	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)c4cnn(c4)C5CCNCC5	P08069	Q9UM73	7.008330992620052	9.119186407719209	2.1108554150991568	Different Group
[P08069, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C)Cl)P(=O)(C)C	P08069	Q9UM73	9.397940008672037	9.481486060122112	0.08354605145007454	Different Group
[P08069, Q9UM73]	COc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P08069	Q9UM73	7.655607726314889	9.017728766960431	1.3621210406455422	Different Group
[P08069, Q9UM73]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P08069	Q9UM73	5.455931955649724	5.0301183562535	0.425813599396224	Different Group
[P08069, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	Q9UM73	7.154901959985743	6.7447274948966935	0.41017446508904953	Different Group
[P08069, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	Q9UM73	6.823908740944319	6.6020599913279625	0.22184874961635614	Different Group
[P08069, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	Q9UM73	6.251811972993799	5.29929628285498	0.952515690138819	Different Group
[P08069, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	Q9UM73	5.690369832574102	5.010550182333308	0.6798196502407938	Different Group
[P08069, Q9UM73]	Cc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P08069	Q9UM73	7.568636235841013	9.065501548756432	1.4968653129154186	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1)CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(cc(c4)OC)OC	P08069	Q9UM73	5.533132379645891	6.488116639021126	0.9549842593752347	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1)CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cccc(c4)OC	P08069	Q9UM73	5.044697177238309	5.991399828238082	0.9467026509997734	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	Q9UM73	5.616184634019569	5.380906669373258	0.23527796464631123	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	Q9UM73	5.638272163982407	5.360513510731414	0.27775865325099325	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	Q9UM73	5.609064892896621	5.325138859262188	0.28392603363443225	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	Q9UM73	5.5003129173815966	5.0301183562535	0.4701945611280962	Different Group
[P08069, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	Q9UM73	5.557520230935552	5.1220530483708115	0.43546718256474026	Different Group
[P08069, Q9UM73]	Cc1cccc(c1)CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	P08069	Q9UM73	6.141462802430361	7.080921907623926	0.9394591051935652	Different Group
[P08069, Q9UM73]	Cc1ccccc1CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	P08069	Q9UM73	5.079876673709276	6.467245621007502	1.387368947298226	Different Group
[P08069, Q9UM73]	Cc1cnc(nc1Nc2ccccc2P(=O)(C)C)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	P08069	Q9UM73	6.892790030352131	9.3767507096021	2.483960679249968	Different Group
[P08069, Q9UM73]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P08069	Q9UM73	5.480172006224281	5.471083299722345	0.009088706501936272	Different Group
[P08069, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	Q9UM73	6.522878745280337	5.478861916295964	1.0440168289843736	Different Group
[P08069, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08069	Q9UM73	5.267606240177032	5.465907069126919	0.1983008289498871	Different Group
[P08069, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08069	Q9UM73	5.292429823902063	5.789198036565084	0.49676821266302085	Different Group
[P08069, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	Q9UM73	6.359847428372498	6.119186407719209	0.2406610206532891	Different Group
[P08069, Q9UM73]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)CN6CCCCC6	P08069	Q9UM73	6.407823242604133	7.7447274948966935	1.3369042522925607	Different Group
[P08069, Q9UM73]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)N6CCNCC6	P08069	Q9UM73	7.552841968657781	8.522878745280337	0.9700367766225568	Different Group
[P08069, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08069	Q9UM73	5.3979400086720375	5.41369853439507	0.015758525723032157	Different Group
[P08069, P31749]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08069	P31749	5.7121982700697735	4.135488918941608	1.5767093511281658	Different Group
[P08069, P31749]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P31749	4.928117992693875	4.315154638355588	0.6129633543382873	Different Group
[P08069, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P31749	6.032920265855503	4.0	2.032920265855503	Different Group
[P08069, P31749]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	P08069	P31749	4.522878745280337	5.318758762624412	0.795880017344075	Different Group
[P08069, P31749]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P31749	7.154901959985743	5.667561540084395	1.487340419901348	Different Group
[P08069, P31749]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P31749	6.823908740944319	5.39040559077478	1.433503150169539	Different Group
[P08069, P31749]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P31749	6.251811972993799	4.634512015109101	1.6172999578846987	Different Group
[P08069, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P31749	6.6020599913279625	5.476253533188435	1.125806458139527	Different Group
[P08069, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P31749	5.638272163982407	5.721246399047171	0.0829742350647642	Different Group
[P08069, P31749]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P31749	6.522878745280337	5.268411234813262	1.2544675104670757	Different Group
[P08069, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P31749	6.359847428372498	5.154901959985743	1.2049454683867546	Different Group
[P08069, P31749]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	P31749	4.0	4.413412695328245	0.4134126953282449	Different Group
[P08069, P31749]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P31749	5.3979400086720375	5.045757490560675	0.3521825181113627	Different Group
[O14965, P08069]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	O14965	5.113509274827518	4.522878745280337	0.5906305295471803	Different Group
[O14965, P08069]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08069	O14965	6.512861624522814	6.966576244513051	0.45371461999023666	Different Group
[O14965, P08069]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P08069	O14965	6.746842210417746	6.667561540084395	0.07928067033335129	Different Group
[O14965, P08069]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	O14965	6.032920265855503	4.6020599913279625	1.4308602745275403	Different Group
[O14965, P08069]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	O14965	4.945210726547806	5.135985522789741	0.19077479624193483	Different Group
[O14965, P08069]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P08069	O14965	4.657577319177793	4.795880017344075	0.1383026981662816	Different Group
[O14965, P08069]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	O14965	6.6020599913279625	5.605548319173784	0.9965116721541785	Different Group
[O14965, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	O14965	5.638272163982407	7.0	1.361727836017593	Different Group
[O14965, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	O14965	6.0	5.585026652029182	0.4149733479708182	Different Group
[O14965, P08069]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	O14965	6.359847428372498	5.508638306165727	0.8512091222067708	Different Group
[O14965, P08069]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	O14965	5.769551078621726	5.4089353929735005	0.36061568564822544	Different Group
[O14965, P08069]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P08069	O14965	4.0	5.872895201635193	1.8728952016351927	Different Group
[P08069, P30530]	CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	P08069	P30530	6.844663962534939	6.531652669587842	0.3130112929470963	Different Family
[P08069, P30530]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P08069	P30530	7.555955204081924	6.769551078621726	0.7864041254601979	Different Family
[P08069, P30530]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	P30530	4.928117992693875	4.882728704344236	0.0453892883496394	Different Family
[P08069, P30530]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P08069	P30530	5.455931955649724	4.958607314841775	0.4973246408079497	Different Family
[P08069, P30530]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	P30530	7.154901959985743	6.795880017344075	0.3590219426416681	Different Family
[P08069, P30530]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	P30530	6.823908740944319	6.657577319177793	0.16633142176652527	Different Family
[P08069, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	P30530	6.251811972993799	5.609064892896621	0.6427470800971786	Different Family
[P08069, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	P30530	5.690369832574102	5.1944991418416	0.49587069073250145	Different Family
[P08069, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08069	P30530	5.616184634019569	4.8326826652518236	0.7835019687677454	Different Family
[P08069, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08069	P30530	5.638272163982407	4.694648630553377	0.9436235334290304	Different Family
[P08069, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08069	P30530	5.609064892896621	4.486782399932061	1.12228249296456	Different Family
[P08069, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08069	P30530	5.5003129173815966	4.6595558851598815	0.840757032221715	Different Family
[P08069, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08069	P30530	5.557520230935552	4.772113295386326	0.7854069355492257	Different Family
[P08069, P30530]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P08069	P30530	5.480172006224281	4.8326826652518236	0.6474893409724576	Different Family
[P08069, P30530]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	P30530	6.522878745280337	6.017728766960432	0.5051499783199054	Different Family
[P08069, P30530]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P30530	5.3979400086720375	5.356547323513812	0.04139268515822536	Different Family
[P08069, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08069	P54760	5.113509274827518	4.698970004336019	0.41453927049149897	Different Family
[P08069, P54760]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P08069	P54760	7.6338031200885155	6.161150909262744	1.4726522108257711	Different Family
[P08069, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08069	P54760	6.032920265855503	5.080921907623926	0.9519983582315765	Different Family
[P08069, P54760]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	P54760	4.945210726547806	5.044154920623069	0.09894419407526289	Different Family
[P08069, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P08069	P54760	5.060480747381382	4.356547323513813	0.7039334238675687	Different Family
[P08069, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P08069	P54760	4.7447274948966935	4.431798275933005	0.3129292189636885	Different Family
[P08069, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	P54760	6.6020599913279625	5.73754891026957	0.8645110810583923	Different Family
[P08069, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	P54760	5.638272163982407	5.468521082957745	0.1697510810246623	Different Family
[P08069, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	P54760	6.0	5.468521082957745	0.5314789170422554	Different Family
[P08069, P54760]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P08069	P54760	6.359847428372498	8.301029995663981	1.9411825672914835	Different Family
[P08069, P54760]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P08069	P54760	7.26301419893508	5.568636235841013	1.694377963094067	Different Family
[P08069, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	P54760	5.769551078621726	5.113509274827518	0.6560418037942082	Different Family
[P08069, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08069	P54760	5.3979400086720375	5.638272163982407	0.24033215531036944	Different Family
[O60285, P08069]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08069	O60285	4.928117992693875	4.531652669587842	0.39646532310603266	Different Group
[O60285, P08069]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08069	O60285	4.945210726547806	4.366531544420414	0.5786791821273924	Different Group
[O60285, P08069]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08069	O60285	7.154901959985743	5.600326278518962	1.5545756814667815	Different Group
[O60285, P08069]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08069	O60285	6.823908740944319	5.423658649794207	1.4002500911501112	Different Group
[O60285, P08069]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08069	O60285	6.251811972993799	5.0	1.2518119729937993	Different Group
[O60285, P08069]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08069	O60285	5.690369832574102	4.525783735923745	1.164586096650357	Different Group
[O60285, P08069]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08069	O60285	6.6020599913279625	6.292429823902063	0.3096301674258992	Different Group
[O60285, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08069	O60285	5.638272163982407	5.7447274948966935	0.1064553309142866	Different Group
[O60285, P08069]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08069	O60285	6.0	5.769551078621726	0.2304489213782741	Different Group
[O60285, P08069]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08069	O60285	6.522878745280337	5.293282217663241	1.2295965276170966	Different Group
[O60285, P08069]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08069	O60285	5.769551078621726	5.494850021680094	0.27470105694163216	Different Group
[P06213, P36888]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P36888	P06213	5.040958607678906	6.856123638239906	1.8151650305609994	Different Family
[P06213, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P06213	4.698970004336019	4.568636235841013	0.13033376849500566	Different Family
[P06213, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P06213	9.698970004336019	7.286308885233723	2.412661119102296	Different Family
[P06213, P36888]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P36888	P06213	8.67778070526608	6.707743928643524	1.9700367766225568	Different Family
[P06213, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	P06213	6.785156151952302	6.679853713888946	0.10530243806335626	Different Family
[P06213, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P06213	6.568636235841013	4.717076090663241	1.8515601451777721	Different Family
[P06213, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	P06213	5.214670164989233	4.366531544420414	0.8481386205688191	Different Family
[P06213, P36888]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P36888	P06213	6.319664486585437	5.038958783046688	1.2807057035387492	Different Family
[P06213, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	P06213	5.301029995663981	4.327902142064283	0.9731278535996983	Different Family
[P06213, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	P06213	5.619788758288394	5.5376020021010435	0.08218675618735016	Different Family
[P06213, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	P06213	5.853871964321762	5.853871964321762	0.0	Different Family
[P06213, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P06213	5.366531544420414	5.221848749616356	0.14468279480405766	Different Family
[P06213, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P06213	5.481486060122113	5.275724130399211	0.20576192972290208	Different Family
[P06213, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	P06213	5.5376020021010435	5.356547323513812	0.18105467858723134	Different Family
[P06213, P36888]	c1cc2c(cc1NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)C=Nc4c(ncnc4Cl)O2	P36888	P06213	6.346787486224656	5.022276394711152	1.3245110915135037	Different Family
[P06213, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P06213	6.142667503568732	5.0655015487564325	1.0771659548122994	Different Family
[P06213, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P06213	5.853871964321762	6.163624385321103	0.30975242099934075	Different Family
[P06213, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P06213	5.0915149811213505	5.055517327849832	0.035997653271518715	Different Family
[P16234, P36888]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P36888	P16234	5.040958607678906	5.275724130399211	0.2347655227203047	Same Family
[P16234, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P36888	P16234	7.657577319177793	6.431798275933005	1.2257790432447884	Same Family
[P16234, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P16234	7.1487416512809245	6.609064892896621	0.5396767583843038	Same Family
[P16234, P36888]	CC1(CC(CC(N1C)(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)C	P36888	P16234	8.698970004336019	8.036212172654444	0.6627578316815743	Same Family
[P16234, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	P16234	7.0670191780768015	6.39577394691553	0.6712452311612713	Same Family
[P16234, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P16234	9.698970004336019	9.221848749616356	0.4771212547196626	Same Family
[P16234, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P36888	P16234	5.619788758288394	5.638272163982407	0.0184834056940133	Same Family
[P16234, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P36888	P16234	4.795880017344075	5.853871964321762	1.0579919469776868	Same Family
[P16234, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P36888	P16234	8.309803919971486	9.619788758288394	1.3099848383169075	Same Family
[P16234, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P36888	P16234	6.2760335672039105	6.7035786584344494	0.42754509123053897	Same Family
[P16234, P36888]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P36888	P16234	6.42021640338319	6.4089353929735005	0.01128101040968943	Same Family
[P16234, P36888]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	P36888	P16234	6.146301788223826	6.0195421077238995	0.12675968049992647	Same Family
[P16234, P36888]	CCN1C(CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C)(C)C	P36888	P16234	8.698970004336019	8.113509274827518	0.585460729508501	Same Family
[P16234, P36888]	CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(cc3)NC(=O)Nc4cc(on4)C(C)(C)C	P36888	P16234	9.0	8.207608310501746	0.7923916894982543	Same Family
[P16234, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P36888	P16234	7.698970004336019	6.172630726946175	1.5263392773898437	Same Family
[P16234, P36888]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P36888	P16234	5.166852888087215	5.444180316938809	0.2773274288515939	Same Family
[P16234, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P36888	P16234	7.698970004336019	5.892790030352131	1.8061799739838875	Same Family
[P16234, P36888]	CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5	P36888	P16234	6.7447274948966935	6.376750709602099	0.3679767852945943	Same Family
[P16234, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P36888	P16234	8.070581074285707	7.5638373529592435	0.5067437213264636	Same Family
[P16234, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P36888	P16234	8.45717457304082	7.803271277376713	0.6539032956641071	Same Family
[P16234, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P36888	P16234	6.435689090039397	6.673050005834001	0.2373609157946035	Same Family
[P16234, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P16234	8.420818753952375	8.886056647693163	0.46523789374078817	Same Family
[P16234, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P36888	P16234	6.928854709548917	7.585695311871668	0.6568406023227515	Same Family
[P16234, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P36888	P16234	6.054531414868181	8.086186147616283	2.0316547327481027	Same Family
[P16234, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P36888	P16234	5.020087589665283	7.1487416512809245	2.1286540616156415	Same Family
[P16234, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P36888	P16234	6.011485634166334	7.076393356982541	1.0649077228162067	Same Family
[P16234, P36888]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	P16234	9.0	9.0	0.0	Same Family
[P16234, P36888]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P36888	P16234	7.958607314841775	8.142667503568731	0.1840601887269564	Same Family
[P16234, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P16234	5.853871964321762	6.096910013008056	0.24303804868629442	Same Family
[P16234, P36888]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCC(CC4)N	P36888	P16234	8.301029995663981	8.045757490560675	0.25527250510330646	Same Family
[P00533, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P00533	4.698970004336019	5.045757490560675	0.34678748622465605	Different Family
[P00533, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P00533	9.698970004336019	6.998856140607032	2.700113863728987	Different Family
[P00533, P36888]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P36888	P00533	5.166852888087215	9.698970004336019	4.532117116248804	Different Family
[P00533, P36888]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P36888	P00533	7.886056647693163	6.388276691992658	1.497779955700505	Different Family
[P00533, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P00533	6.568636235841013	4.645365019512084	1.9232712163289287	Different Family
[P00533, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	P00533	5.214670164989233	4.638272163982407	0.5763980010068259	Different Family
[P00533, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P36888	P00533	4.468521082957745	4.657577319177793	0.18905623622004875	Different Family
[P00533, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P36888	P00533	4.443697499232712	4.853871964321762	0.41017446508904953	Different Family
[P00533, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P36888	P00533	8.050122295963126	6.276216063034671	1.7739062329284554	Different Family
[P00533, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P36888	P00533	8.25336580106242	5.52432881167557	2.7290369893868505	Different Family
[P00533, P36888]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P36888	P00533	4.402304814074488	4.982549270489463	0.5802444564149756	Different Family
[P00533, P36888]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	P00533	8.96657624451305	7.0455162828444475	1.9210599616686022	Different Family
[P00533, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P00533	8.420818753952375	6.133122185662502	2.2876965682898733	Different Family
[P00533, P36888]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P36888	P00533	5.275724130399211	5.698970004336019	0.4232458739368079	Different Family
[P00533, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	P00533	5.619788758288394	5.886056647693163	0.2662678894047694	Different Family
[P00533, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	P00533	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P00533, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P00533	6.229147988357856	3.721246399047171	2.507901589310685	Different Family
[P00533, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	P00533	5.958607314841775	5.679853713888946	0.27875360095282886	Different Family
[P00533, P36888]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P36888	P00533	8.686132779630846	6.23495017809705	2.4511826015337954	Different Family
[P00533, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	P00533	5.5376020021010435	5.823908740944319	0.2863067388432752	Different Family
[P00533, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P00533	5.853871964321762	5.2839966563652006	0.5698753079565613	Different Family
[P00533, P36888]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P36888	P00533	4.3851027839668655	4.821886747685368	0.4367839637185025	Different Family
[P07949, P36888]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P36888	P07949	5.040958607678906	5.221848749616356	0.18089014193745	Different Family
[P07949, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P36888	P07949	7.657577319177793	6.006123085058789	1.6514542341190044	Different Family
[P07949, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P07949	7.1487416512809245	8.301029995663981	1.1522883443830567	Different Family
[P07949, P36888]	CC(C)c1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C(F)(F)F)N3CCC(CC3)N4CCN(CC4)C)NC5CCC(CC5)O	P36888	P07949	9.18045606445813	8.638272163982407	0.5421839004757238	Different Family
[P07949, P36888]	CC(C)c1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCN(CC3)C)NC4CCOCC4	P36888	P07949	9.309803919971486	8.443697499232712	0.8661064207387739	Different Family
[P07949, P36888]	CC(C)c1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	P36888	P07949	9.2518119729938	8.823908740944319	0.42790323204948066	Different Family
[P07949, P36888]	CC(C)c1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCN(CC3)C)NC4CCC(CC4)O	P36888	P07949	9.337242168318426	8.769551078621726	0.5676910896966998	Different Family
[P07949, P36888]	CC(C)c1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCN(CC3)C)NC4CCOCC4	P36888	P07949	9.2839966563652	8.537602002101044	0.7463946542641562	Different Family
[P07949, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	P07949	7.346787486224656	7.337242168318426	0.009545317906230366	Different Family
[P07949, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	P07949	7.0670191780768015	8.389423339022647	1.3224041609458457	Different Family
[P07949, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P07949	9.698970004336019	8.497903821870143	1.2010661824658762	Different Family
[P07949, P36888]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	P36888	P07949	6.146301788223826	6.79317412396815	0.646872335744324	Different Family
[P07949, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P36888	P07949	8.886056647693163	8.886056647693163	0.0	Different Family
[P07949, P36888]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P36888	P07949	7.756255301901422	6.3977953161789305	1.358459985722492	Different Family
[P07949, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P36888	P07949	7.698970004336019	8.154901959985743	0.45593195564972433	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C(F)(F)F)N3CCC(CC3)N4CCN(CC4)C)NC5CCC(CC5)O	P36888	P07949	9.301029995663981	8.823908740944319	0.4771212547196626	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C)N3CCC(CC3)N4CCN(CC4)C)NC5CCC(CC5)(C)O	P36888	P07949	9.420366834453253	8.979303657420887	0.4410631770323654	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C)N3CCC(CC3)N4CCN(CC4)C)NC5CCC(CC5)O	P36888	P07949	9.455931955649724	9.0	0.45593195564972433	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	P36888	P07949	9.443697499232712	9.0	0.4436974992327123	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C)N3CCN(CC3)C(C)C)NC4CCC(CC4)O	P36888	P07949	9.468521082957745	8.886056647693163	0.5824644352645816	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)C)N3CCN(CC3)C4CCN(CC4)C)NC5CCOCC5	P36888	P07949	9.431798275933005	8.958607314841775	0.4731909610912304	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)F)N3CCN(CC3)C)NC4CCOCC4	P36888	P07949	9.443697499232712	8.958607314841775	0.48509018439093765	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	P36888	P07949	9.387216143280265	8.468521082957745	0.9186950603225199	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)NC5CCC(CC5)O	P36888	P07949	9.292429823902063	9.022276394711152	0.2701534291909109	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	P36888	P07949	9.292429823902063	8.886056647693163	0.40637317620890023	Different Family
[P07949, P36888]	CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCN(CC3)C)NC4CCC(CC4)O	P36888	P07949	9.356547323513812	8.958607314841775	0.3979400086720375	Different Family
[P07949, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P36888	P07949	7.698970004336019	9.0	1.3010299956639813	Different Family
[P07949, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	P07949	6.785156151952302	6.405607449624573	0.3795487023277291	Different Family
[P07949, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	P07949	6.174573882232177	7.508638306165727	1.3340644239335502	Different Family
[P07949, P36888]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P36888	P07949	7.301029995663981	8.0	0.6989700043360187	Different Family
[P07949, P36888]	Cc1cc(ccc1N2CCC(CC2)N3CCN(CC3)C)Nc4c(nc(c(n4)NC5CCC(CC5)O)Cl)C(=O)N	P36888	P07949	9.142667503568731	8.886056647693163	0.256610855875568	Different Family
[P07949, P36888]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P36888	P07949	7.086186147616283	7.721246399047171	0.6350602514308878	Different Family
[P07949, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	P07949	8.0	5.721246399047171	2.278753600952829	Different Family
[P07949, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P07949	8.420818753952375	9.698970004336019	1.2781512503836439	Different Family
[P07949, P36888]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P36888	P07949	9.522878745280337	7.529090297916843	1.9937884473634941	Different Family
[P07949, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	P07949	7.657577319177793	6.1938200260161125	1.463757293161681	Different Family
[P07949, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P07949	5.366531544420414	5.221848749616356	0.14468279480405766	Different Family
[P07949, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P07949	5.481486060122113	5.431798275933005	0.04968778418910791	Different Family
[P07949, P36888]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P36888	P07949	7.698970004336019	7.698970004336019	0.0	Different Family
[P07949, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P07949	6.142667503568732	5.309803919971486	0.8328635835972458	Different Family
[P07949, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P07949	5.853871964321762	5.481486060122113	0.3723859041996489	Different Family
[P07949, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P07949	5.0915149811213505	5.096910013008056	0.005395031886705759	Different Family
[P36888, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	P52333	7.346787486224656	7.056754637413759	0.2900328488108972	Different Family
[P36888, P52333]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	P52333	6.785156151952302	6.45717457304082	0.3279815789114817	Different Family
[P36888, P52333]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P36888	P52333	7.886056647693163	8.318758762624412	0.4327021149312493	Different Family
[P36888, P52333]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P36888	P52333	6.319664486585437	4.4718549217468935	1.8478095648385437	Different Family
[P36888, P52333]	Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5	P36888	P52333	5.458420756053419	7.199970640755866	1.7415498847024464	Different Family
[P36888, P52333]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P36888	P52333	7.086186147616283	7.823908740944319	0.7377225933280354	Different Family
[P36888, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P52333	8.420818753952375	7.2403321553103694	1.1804865986420054	Different Family
[P36888, P52333]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	P52333	5.958607314841775	5.089375595110798	0.8692317197309762	Different Family
[P36888, P52333]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P36888	P52333	6.471083299722345	6.615651082264428	0.14456778254208302	Different Family
[P36888, P52333]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCC(CC4)N	P36888	P52333	8.301029995663981	8.602059991327963	0.30102999566398125	Different Family
[P36888, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	Q96GD4	4.698970004336019	4.366531544420414	0.33243845991560494	Different Group
[P36888, Q96GD4]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P36888	Q96GD4	8.714442690992227	7.828566099056991	0.8858765919352356	Different Group
[P36888, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	Q96GD4	9.698970004336019	8.564089641766962	1.1348803625690564	Different Group
[P36888, Q96GD4]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)C	P36888	Q96GD4	8.356547323513812	8.119186407719209	0.2373609157946035	Different Group
[P36888, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	P36888	Q96GD4	7.721246399047171	7.823908740944319	0.10266234189714751	Different Group
[P36888, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	P36888	Q96GD4	7.494850021680094	7.481486060122113	0.013363961557980808	Different Group
[P36888, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	Q96GD4	7.958607314841775	8.193820026016112	0.23521271117433784	Different Group
[P36888, Q96GD4]	CN(C)c1ccc(cc1)C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	P36888	Q96GD4	6.874518734299406	6.799423073245152	0.07509566105425414	Different Group
[P36888, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	P36888	Q96GD4	6.920818753952375	6.7447274948966935	0.17609125905568135	Different Group
[P36888, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	Q96GD4	6.785156151952302	6.471083299722345	0.3140728522299572	Different Group
[P36888, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	Q96GD4	6.174573882232177	6.651516179627988	0.4769422973958113	Different Group
[P36888, Q96GD4]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	P36888	Q96GD4	6.7447274948966935	6.6777807052660805	0.06694678963061307	Different Group
[P36888, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	Q96GD4	5.657577319177793	5.6777807052660805	0.02020338608828709	Different Group
[P36888, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	Q96GD4	6.568636235841013	4.685805534974844	1.8828307008661689	Different Group
[P36888, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	Q96GD4	5.214670164989233	4.337242168318426	0.8774279966708072	Different Group
[P36888, Q96GD4]	COc1ccc(cc1)C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	P36888	Q96GD4	6.47638358094563	7.826813731587726	1.3504301506420964	Different Group
[P36888, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	Q96GD4	5.00436480540245	5.309803919971486	0.30543911456903583	Different Group
[P36888, Q96GD4]	COc1ccc(cc1)NC(=O)CC(=O)Nc2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	P36888	Q96GD4	7.779891911959945	7.528708288941061	0.25118362301888375	Different Group
[P36888, Q96GD4]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P36888	Q96GD4	8.913640169325252	7.5386515663520175	1.374988602973234	Different Group
[P36888, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	P36888	Q96GD4	6.823908740944319	7.292429823902063	0.46852108295774464	Different Group
[P36888, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	Q96GD4	7.187086643357144	7.5376020021010435	0.35051535874389916	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P36888	Q96GD4	7.243363891754152	7.51427857351842	0.2709146817642685	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)N2CCOCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P36888	Q96GD4	7.0996328713435295	7.774690718274137	0.6750578469306072	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN(C)C)C)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC	P36888	Q96GD4	7.790484985457369	7.978810700930062	0.1883257154726925	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P36888	Q96GD4	8.67778070526608	7.031517051446065	1.6462636538200153	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P36888	Q96GD4	9.301029995663981	9.397940008672037	0.09691001300805624	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3cc(c(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4)OC)F	P36888	Q96GD4	6.041483896576959	8.823908740944319	2.78242484436736	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3cc(c(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)F	P36888	Q96GD4	6.392009141452825	8.522878745280337	2.130869603827512	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P36888	Q96GD4	8.193820026016112	8.229147988357855	0.03532796234174285	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4)OC	P36888	Q96GD4	6.74521031260279	8.721246399047171	1.9760360864443811	Different Group
[P36888, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC	P36888	Q96GD4	6.9542859410591324	8.638272163982407	1.6839862229232745	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3cc(c(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)F)C)CCC(=O)O	P36888	Q96GD4	7.787812395596042	8.823908740944319	1.0360963453482768	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4)OC)C)CC(=O)O	P36888	Q96GD4	7.498940737782249	8.744727494896694	1.2457867571144448	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4)OC)C)CCC(=O)O	P36888	Q96GD4	8.568636235841012	8.920818753952375	0.3521825181113627	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)C)CCC(=O)N5CCN(CC5)C	P36888	Q96GD4	7.382999658879101	7.735182176990463	0.3521825181113618	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)C)CCC(=O)N5CCOCC5	P36888	Q96GD4	6.97469413473523	7.785156151952302	0.8104620172170725	Different Group
[P36888, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4F)OC)C)CCC(=O)O	P36888	Q96GD4	8.0	8.886056647693163	0.8860566476931631	Different Group
[P36888, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)Nc5ccccc5	P36888	Q96GD4	6.790484985457369	4.5394833898810285	2.2510015955763407	Different Group
[P36888, Q96GD4]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	Q96GD4	7.229147988357856	8.0	0.7708520116421438	Different Group
[P36888, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P36888	Q96GD4	8.742321425130816	8.073657553374344	0.6686638717564719	Different Group
[P36888, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P36888	Q96GD4	8.661543506395395	7.9503943874050265	0.7111491189903685	Different Group
[P36888, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	Q96GD4	5.301029995663981	5.008773924307505	0.29225607135647635	Different Group
[P36888, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	Q96GD4	9.0	7.376750709602099	1.6232492903979008	Different Group
[P36888, Q96GD4]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P36888	Q96GD4	5.275724130399211	5.5376020021010435	0.26187787170183263	Different Group
[P36888, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P36888	Q96GD4	7.958607314841775	7.6020599913279625	0.35654732351381213	Different Group
[P36888, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(c(c4)C(F)(F)F)Cl	P36888	Q96GD4	6.414764936634224	7.823908740944319	1.4091438043100943	Different Group
[P36888, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)NC(=O)c4ccc(cc4)Cl	P36888	Q96GD4	6.170181812561123	8.187086643357144	2.0169048307960216	Different Group
[P36888, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)c4cccn(c4=O)c5ccc(cc5)F	P36888	Q96GD4	8.065501548756432	6.101768615486903	1.9637329332695286	Different Group
[P36888, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	Q96GD4	5.619788758288394	6.301029995663981	0.6812412373755876	Different Group
[P36888, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	Q96GD4	5.853871964321762	5.638272163982407	0.21559980033935489	Different Group
[P36888, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	Q96GD4	6.229147988357856	6.040958607678906	0.18818938067895008	Different Group
[P36888, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	Q96GD4	5.958607314841775	8.045757490560675	2.0871501757189	Different Group
[P36888, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P36888	Q96GD4	8.916489102104872	8.1436373878009	0.7728517143039717	Different Group
[P36888, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	Q96GD4	5.5376020021010435	5.585026652029182	0.04742464992813833	Different Group
[P36888, Q96GD4]	c1ccc(c(c1)c2c[nH]cc(c2=O)C(=O)Nc3ccc4c(c3)NC(=O)C4=Cc5ccc[nH]5)F	P36888	Q96GD4	7.0	7.5934598195660445	0.5934598195660445	Different Group
[P36888, Q96GD4]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	P36888	Q96GD4	7.455931955649724	7.619788758288394	0.1638568026386693	Different Group
[P36888, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	P36888	Q96GD4	7.823908740944319	7.853871964321762	0.02996322337744317	Different Group
[P36888, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	Q96GD4	7.031517051446065	7.309803919971486	0.27828686852542095	Different Group
[P36888, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	P36888	Q96GD4	7.481486060122113	8.130768280269024	0.6492822201469108	Different Group
[P36888, Q00534]	CC(CO)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	P36888	Q00534	7.366531544420414	7.5376020021010435	0.17107045768062967	Different Group
[P36888, Q00534]	CC1(CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6)C	P36888	Q00534	7.769551078621726	8.958607314841775	1.1890562362200487	Different Group
[P36888, Q00534]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	P36888	Q00534	8.698970004336019	8.356547323513812	0.3424226808222066	Different Group
[P36888, Q00534]	Cc1c2c(ccn1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCNCC6	P36888	Q00534	7.657577319177793	7.327902142064283	0.32967517711351046	Different Group
[P36888, Q00534]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	Q00534	6.229147988357856	4.6020599913279625	1.6270879970298937	Different Group
[P36888, Q00534]	c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O	P36888	Q00534	5.634512015109101	4.657577319177793	0.9769346959313072	Different Group
[P36888, Q00534]	c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O	P36888	Q00534	5.838631997765025	5.769551078621726	0.06908091914329884	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)C#N	P36888	Q00534	7.337242168318426	7.872895201635193	0.5356530333167671	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)Cl	P36888	Q00534	8.301029995663981	8.366531544420413	0.06550154875643166	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	P36888	Q00534	7.958607314841775	7.769551078621726	0.18905623622004875	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)O	P36888	Q00534	7.769551078621726	7.958607314841775	0.18905623622004875	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCC(CC6)O	P36888	Q00534	8.301029995663981	8.229147988357855	0.07188200730612593	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	P36888	Q00534	7.853871964321762	8.356547323513812	0.5026753591920503	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCCC6	P36888	Q00534	8.698970004336019	7.882728704344236	0.8162412999917832	Different Group
[P36888, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnnc5n(c4n3)C6CCCC6	P36888	Q00534	7.022276394711152	7.886056647693163	0.8637802529820107	Different Group
[P06239, P36888]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P36888	P06239	5.040958607678906	5.050609993355088	0.009651385676181512	Different Family
[P06239, P36888]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P36888	P06239	7.6777807052660805	5.4089353929735005	2.26884531229258	Different Family
[P06239, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P06239	7.585026652029182	7.795880017344075	0.21085336531489318	Different Family
[P06239, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	P06239	6.174573882232177	6.809668301829708	0.6350944195975314	Different Family
[P06239, P36888]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)NC(=O)c5ccc(cc5F)OC	P36888	P06239	9.301029995663981	8.638272163982407	0.6627578316815743	Different Family
[P06239, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P36888	P06239	7.568636235841013	5.346787486224656	2.221848749616357	Different Family
[P06239, P36888]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P36888	P06239	7.086186147616283	6.667561540084395	0.41862460753188824	Different Family
[P06239, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	P06239	8.0	3.3010299956639813	4.698970004336019	Different Family
[P06239, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P36888	P06239	6.928854709548917	4.95663772197887	1.9722169875700466	Different Family
[P06239, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P36888	P06239	6.054531414868181	5.839231438138872	0.2152999767293089	Different Family
[P06239, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P36888	P06239	5.020087589665283	6.9657727392294495	1.9456851495641665	Different Family
[P06239, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P36888	P06239	6.011485634166334	4.350470434052181	1.6610152001141527	Different Family
[P06239, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P36888	P06239	8.698970004336019	4.698970004336019	4.0	Different Family
[P06239, P36888]	Cn1c2c(cc(c1=O)Sc3ccc(cc3)F)cnc(n2)Nc4ccc5c(c4)cc[nH]5	P36888	P06239	5.053203972728539	5.093557206182967	0.04035323345442787	Different Family
[P06239, P36888]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	P06239	9.0	8.154901959985743	0.8450980400142569	Different Family
[P06239, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P06239	5.366531544420414	5.2839966563652006	0.08253488805521325	Different Family
[P06239, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P06239	5.481486060122113	5.522878745280337	0.041392685158224474	Different Family
[P06239, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	P06239	5.958607314841775	6.247183568811729	0.28857625396995434	Different Family
[P06239, P36888]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P36888	P06239	7.583359492661719	7.665546248849069	0.08218675618735016	Different Family
[P06239, P36888]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P36888	P06239	6.856985199745905	6.522878745280337	0.33410645446556764	Different Family
[P06239, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P06239	6.142667503568732	5.698970004336019	0.4436974992327132	Different Family
[P06239, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P06239	5.853871964321762	5.251811972993799	0.6020599913279625	Different Family
[P36888, P49841]	CC(C)CC(C(=O)OCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cc(c(c(c4)OC)OC)OC)N	P36888	P49841	6.318758762624412	6.872895201635193	0.5541364390107804	Different Group
[P36888, P49841]	CC(C)CC(C(=O)OCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cc(c(c(c4)OC)OC)OC)N	P36888	P49841	6.621602099051862	7.920818753952375	1.2992166549005129	Different Group
[P36888, P49841]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P36888	P49841	8.309803919971486	4.7447274948966935	3.5650764250747926	Different Group
[P36888, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P49841	6.568636235841013	5.958607314841775	0.6100289209992384	Different Group
[P36888, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P36888	P49841	6.2557077218447565	5.558679567258498	0.6970281545862589	Different Group
[P36888, P49841]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	P49841	9.0	7.468521082957745	1.5314789170422554	Different Group
[P36888, P49841]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P49841	6.229147988357856	5.698970004336019	0.5301779840218375	Different Group
[P36888, P49841]	c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O	P36888	P49841	6.080921907623926	5.823908740944319	0.2570131666796076	Different Group
[P36888, P49841]	c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O	P49841	P36888	4.34008379993015	5.838631997765025	1.4985481978348751	Different Group
[P36888, P49841]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P36888	P49841	3.492144128304169	3.166215625343521	0.325928502960648	Different Group
[P12931, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P12931	4.698970004336019	5.356547323513812	0.6575773191777934	Different Family
[P12931, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P12931	7.1487416512809245	7.431798275933005	0.2830566246520805	Different Family
[P12931, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	P12931	7.0670191780768015	7.122628654130226	0.0556094760534247	Different Family
[P12931, P36888]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P36888	P12931	5.166852888087215	5.7617029321246065	0.5948500440373916	Different Family
[P12931, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P12931	7.585026652029182	6.806875401645539	0.778151250383643	Different Family
[P12931, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P36888	P12931	8.045757490560675	4.517126416391246	3.5286310741694287	Different Family
[P12931, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	P12931	5.657577319177793	4.3872161432802645	1.2703611758975288	Different Family
[P12931, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P12931	6.568636235841013	4.68837535480105	1.8802608810399635	Different Family
[P12931, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	P12931	5.214670164989233	4.853871964321762	0.36079820066747104	Different Family
[P12931, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P36888	P12931	4.468521082957745	5.346787486224656	0.8782664032669114	Different Family
[P12931, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P36888	P12931	4.443697499232712	5.040958607678906	0.5972611084461938	Different Family
[P12931, P36888]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P36888	P12931	6.319664486585437	5.6136794261059535	0.7059850604794837	Different Family
[P12931, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	P12931	8.0	4.301029995663981	3.6989700043360187	Different Family
[P12931, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P12931	8.420818753952375	8.397940008672037	0.022878745280337398	Different Family
[P12931, P36888]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P36888	P12931	9.522878745280337	8.522878745280337	1.0	Different Family
[P12931, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P36888	P12931	4.853871964321762	4.4089353929735005	0.44493657134826137	Different Family
[P12931, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	P12931	5.619788758288394	5.721246399047171	0.1014576407587775	Different Family
[P12931, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	P12931	5.853871964321762	6.154901959985743	0.30102999566398125	Different Family
[P12931, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P12931	6.229147988357856	6.920818753952375	0.6916707655945187	Different Family
[P12931, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P12931	5.366531544420414	5.337242168318426	0.029289376101988118	Different Family
[P12931, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P12931	5.481486060122113	5.6020599913279625	0.12057393120584958	Different Family
[P12931, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	P12931	5.5376020021010435	5.698970004336019	0.16136800223497527	Different Family
[P12931, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P12931	6.142667503568732	5.337242168318426	0.8054253352503062	Different Family
[P12931, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P12931	5.853871964321762	5.3979400086720375	0.45593195564972433	Different Family
[P12931, P36888]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P36888	P12931	3.492144128304169	2.9956786262173574	0.49646550208681184	Different Family
[P36888, Q04912]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	Q04912	7.0670191780768015	7.029653123769907	0.03736605430689455	Different Family
[P36888, Q04912]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	Q04912	9.698970004336019	6.737605978167391	2.961364026168628	Different Family
[P36888, Q04912]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P36888	Q04912	6.42021640338319	7.728158393463501	1.3079419900803115	Different Family
[P36888, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P36888	Q04912	6.4089353929735005	7.543633966870957	1.1346985738974569	Different Family
[P36888, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P36888	Q04912	6.435689090039397	7.838631997765025	1.4029429077256275	Different Family
[P36888, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P36888	Q04912	8.050122295963126	6.461300620457593	1.5888216755055327	Different Family
[P36888, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P36888	Q04912	8.25336580106242	8.493792312618783	0.24042651155636285	Different Family
[P36888, Q04912]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	Q04912	6.872895201635193	6.568636235841013	0.30425896579417966	Different Family
[P36888, Q04912]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	Q04912	7.657577319177793	8.154901959985743	0.4973246408079497	Different Family
[P36888, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	Q04912	5.366531544420414	5.318758762624412	0.04777278179600142	Different Family
[P36888, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	Q04912	5.481486060122113	5.301029995663981	0.18045606445813167	Different Family
[P36888, Q04912]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	Q04912	6.142667503568732	5.214670164989233	0.9279973385794991	Different Family
[P36888, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	Q05397	4.698970004336019	4.552841968657781	0.14612803567823818	Different Family
[P36888, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	Q05397	6.785156151952302	6.853871964321762	0.06871581236945978	Different Family
[P36888, Q05397]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	Q05397	4.6020599913279625	4.455931955649724	0.14612803567823818	Different Family
[P36888, Q05397]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	P36888	Q05397	7.055517327849832	6.876148359032914	0.17936896881691755	Different Family
[P36888, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	Q05397	6.568636235841013	6.1001574545454496	0.46847878129556353	Different Family
[P36888, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	Q05397	5.214670164989233	5.022276394711152	0.19239377027808047	Different Family
[P36888, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P36888	Q05397	4.443697499232712	4.3979400086720375	0.045757490560674796	Different Family
[P36888, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	Q05397	5.301029995663981	4.301029995663981	1.0	Different Family
[P36888, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	Q05397	5.619788758288394	5.6777807052660805	0.05799194697768684	Different Family
[P36888, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	Q05397	5.853871964321762	5.455931955649724	0.3979400086720375	Different Family
[P36888, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	Q05397	6.229147988357856	5.920818753952375	0.3083292344054813	Different Family
[P36888, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	Q05397	5.5376020021010435	5.136677139879544	0.40092486222149937	Different Family
[P22607, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P22607	7.1487416512809245	7.050609993355087	0.09813165792583778	Different Family
[P22607, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P22607	9.698970004336019	7.8970190884701825	1.8019509158658362	Different Family
[P22607, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P22607	7.585026652029182	6.966576244513051	0.6184504075161312	Different Family
[P22607, P36888]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P36888	P22607	7.086186147616283	6.939302159646388	0.1468839879698951	Different Family
[P22607, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P22607	8.420818753952375	7.978810700930062	0.44200805302231316	Different Family
[P22607, P36888]	Cn1c2c(cc(c1=O)Sc3ccc(cc3)F)cnc(n2)Nc4ccc5c(c4)cc[nH]5	P36888	P22607	5.053203972728539	5.045854011170452	0.0073499615580869815	Different Family
[P22607, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	P22607	7.657577319177793	7.301029995663981	0.35654732351381213	Different Family
[P22607, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P22607	5.366531544420414	5.301029995663981	0.06550154875643255	Different Family
[P22607, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P22607	5.481486060122113	5.309803919971486	0.17168214015062677	Different Family
[P22607, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P22607	6.142667503568732	5.4089353929735005	0.7337321105952315	Different Family
[P22607, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P22607	5.0915149811213505	5.022276394711152	0.06923858641019809	Different Family
[P35968, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P35968	4.698970004336019	5.356547323513812	0.6575773191777934	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	P35968	8.397940008672037	7.7447274948966935	0.653212513775344	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	P35968	8.096910013008056	7.920818753952375	0.17609125905568135	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	7.522878745280337	7.920818753952375	0.3979400086720375	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P36888	P35968	7.823908740944319	7.920818753952375	0.09691001300805624	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	7.721246399047171	7.657577319177793	0.06366907986937775	Different Family
[P35968, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P36888	P35968	7.657577319177793	5.609418121449565	2.0481591977282285	Different Family
[P35968, P36888]	CC(C)(CN)COc1cccc2c1nc(cc2)c3cnc4n3ccc(c4)OCCOC	P36888	P35968	7.327902142064283	6.886056647693163	0.44184549437111986	Different Family
[P35968, P36888]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P36888	P35968	8.714442690992227	8.300162274132754	0.4142804168594729	Different Family
[P35968, P36888]	CC(C)CC(C(=O)OCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cc(c(c(c4)OC)OC)OC)N	P36888	P35968	6.621602099051862	6.600326278518962	0.021275820532900447	Different Family
[P35968, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P35968	7.1487416512809245	8.397940008672037	1.249198357391113	Different Family
[P35968, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P36888	P35968	8.795880017344075	8.096910013008056	0.6989700043360187	Different Family
[P35968, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	P35968	7.346787486224656	7.657577319177793	0.31078983295313733	Different Family
[P35968, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	P35968	7.0670191780768015	6.982966660701219	0.08405251737558217	Different Family
[P35968, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P36888	P35968	7.713921221523496	6.6020599913279625	1.111861230195533	Different Family
[P35968, P36888]	CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC)Br	P36888	P35968	5.375400821304444	4.619788758288394	0.7556120630160503	Different Family
[P35968, P36888]	CC1CC(CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC)Cl	P36888	P35968	4.69466991845506	4.086186147616283	0.6084837708387765	Different Family
[P35968, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P36888	P35968	5.619788758288394	5.366531544420414	0.25325721386797984	Different Family
[P35968, P36888]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P36888	P35968	4.795880017344075	4.031517051446065	0.7643629658980098	Different Family
[P35968, P36888]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P36888	P35968	8.309803919971486	9.309803919971486	1.0	Different Family
[P35968, P36888]	CC1CC=CC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)OC	P36888	P35968	6.355317024239985	5.8191360819912035	0.5361809422487811	Different Family
[P35968, P36888]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P36888	P35968	6.2760335672039105	6.38812227317138	0.11208870596746934	Different Family
[P35968, P36888]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P36888	P35968	6.42021640338319	6.161150909262744	0.25906549412044555	Different Family
[P35968, P36888]	CCCCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	P35968	7.657577319177793	7.259637310505756	0.3979400086720375	Different Family
[P35968, P36888]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P36888	P35968	8.886056647693163	8.638272163982407	0.24778448371075612	Different Family
[P35968, P36888]	CCN(CC)CCOc1ccc(c2c1[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P36888	P35968	7.221848749616356	7.455931955649724	0.23408320603336819	Different Family
[P35968, P36888]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P36888	P35968	7.698970004336019	7.619788758288394	0.07918124604762511	Different Family
[P35968, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cc(on5)C6CC6	P36888	P35968	7.481486060122113	7.823908740944319	0.3424226808222057	Different Family
[P35968, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)Cl	P36888	P35968	6.494850021680094	7.366531544420414	0.8716815227403201	Different Family
[P35968, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)OCc5ccccc5	P36888	P35968	7.080921907623926	6.920818753952375	0.16010315367155137	Different Family
[P35968, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NS(=O)(=O)c5ccccc5	P36888	P35968	6.2839966563652006	6.769551078621726	0.48555442225652534	Different Family
[P35968, P36888]	CCNC(=O)Nc1ccc(cc1)c2cc([nH]n2)NC(=O)c3ccc(cc3)N4CCN(CC4)C	P36888	P35968	7.026872146400302	7.0	0.026872146400301666	Different Family
[P35968, P36888]	CCOC(=O)NCc1ccc(cc1)c2cc([nH]n2)NC(=O)c3ccc(cc3)N4CCN(CC4)C	P36888	P35968	7.769551078621726	6.251811972993799	1.5177391056279266	Different Family
[P35968, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCC(C5)N	P36888	P35968	7.853871964321762	8.154901959985743	0.30102999566398125	Different Family
[P35968, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	P35968	7.309803919971486	8.0	0.6901960800285138	Different Family
[P35968, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)CC	P36888	P35968	7.710108201691595	7.6020599913279625	0.10804821036363244	Different Family
[P35968, P36888]	CCc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.259637310505756	8.221848749616356	0.9622114391106003	Different Family
[P35968, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	P36888	P35968	7.721246399047171	6.040958607678906	1.680287791368265	Different Family
[P35968, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	P36888	P35968	7.494850021680094	5.309803919971486	2.1850461017086076	Different Family
[P35968, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	P35968	7.958607314841775	6.958607314841775	1.0	Different Family
[P35968, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C=C4c5ccccc5NC4=O	P36888	P35968	7.455931955649724	7.657577319177793	0.20164536352806905	Different Family
[P35968, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P35968	7.585026652029182	7.989405350465031	0.40437869843584906	Different Family
[P35968, P36888]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P36888	P35968	8.667561540084394	6.265520210574422	2.402041329509972	Different Family
[P35968, P36888]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5ccccc5	P36888	P35968	7.657577319177793	7.086186147616283	0.5713911715615101	Different Family
[P35968, P36888]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	P35968	8.154901959985743	6.769551078621726	1.3853508813640172	Different Family
[P35968, P36888]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	P36888	P35968	6.920818753952375	6.920818753952375	0.0	Different Family
[P35968, P36888]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P36888	P35968	7.698970004336019	7.6777807052660805	0.021189299069938272	Different Family
[P35968, P36888]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P36888	P35968	8.045757490560675	7.809894379144197	0.23586311141647798	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	P35968	6.174573882232177	6.364516253185088	0.18994237095291133	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	P35968	8.221848749616356	7.0	1.2218487496163561	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5cccnc5	P36888	P35968	7.853871964321762	6.657577319177793	1.1962946451439684	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Oc5ccccc5	P36888	P35968	7.795880017344075	7.036212172654444	0.7596678446896306	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)NC5CC5	P36888	P35968	7.2839966563652006	6.522878745280337	0.7611179110848632	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	P35968	7.886056647693163	7.585026652029182	0.30102999566398125	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccn5	P36888	P35968	7.3979400086720375	7.136677139879544	0.2612628687924934	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5cccnc5	P36888	P35968	7.130768280269024	6.721246399047171	0.4095218812218526	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)OCc5ccccc5	P36888	P35968	8.154901959985743	7.318758762624412	0.8361431973613307	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Oc5ccccc5	P36888	P35968	7.920818753952375	6.7447274948966935	1.1760912590556813	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4cccc(c4)NS(=O)(=O)c5ccccc5	P36888	P35968	7.958607314841775	6.886056647693163	1.0725506671486116	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	P36888	P35968	7.619788758288394	5.698970004336019	1.920818753952375	Different Family
[P35968, P36888]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	P36888	P35968	6.7447274948966935	6.318758762624412	0.42596873227228116	Different Family
[P35968, P36888]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5	P36888	P35968	8.698970004336019	7.4089353929735005	1.2900346113625183	Different Family
[P35968, P36888]	COCCOc1ccn2c(c1)ncc2c3ccc4cccc(c4n3)OC5CCNCC5F	P36888	P35968	8.254432191740108	7.5808540301842715	0.6735781615558363	Different Family
[P35968, P36888]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P35968	4.6020599913279625	5.638272163982407	1.0362121726544444	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	P35968	5.657577319177793	4.958607314841775	0.6989700043360187	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P36888	P35968	6.2557077218447565	6.4257603709184234	0.1700526490736669	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(NC2=O)O)c3c[nH]c4c3cccc4	P36888	P35968	4.356547323513813	5.229147988357856	0.8726006648440432	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	P35968	5.214670164989233	7.508638306165727	2.293968141176494	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P36888	P35968	5.522878745280337	5.376750709602099	0.14612803567823818	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P36888	P35968	4.468521082957745	5.508638306165727	1.0401172232079823	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P36888	P35968	4.443697499232712	5.795880017344075	1.3521825181113627	Different Family
[P35968, P36888]	COc1cc(cc(c1OC)OC)c2c(=O)[nH]cc(n2)c3c[nH]c4c3cccc4	P36888	P35968	4.443697499232712	5.638272163982407	1.1945746647496946	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P36888	P35968	6.4089353929735005	6.251811972993799	0.15712341997970114	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P36888	P35968	8.070581074285707	7.813326132500255	0.25725494178545194	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P36888	P35968	8.056505484093897	7.184289460211037	0.87221602388286	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P36888	P35968	8.45717457304082	7.152365655681745	1.3048089173590753	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P36888	P35968	6.435689090039397	6.677367288307777	0.24167819826837977	Different Family
[P35968, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P36888	P35968	8.050122295963126	7.014663358264388	1.0354589376987384	Different Family
[P35968, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	P35968	5.00436480540245	4.886056647693163	0.11830815770928726	Different Family
[P35968, P36888]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P36888	P35968	8.913640169325252	8.73754891026957	0.17609125905568135	Different Family
[P35968, P36888]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	P36888	P35968	6.823908740944319	5.102372908709558	1.7215358322347605	Different Family
[P35968, P36888]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	P35968	7.187086643357144	4.619788758288394	2.5672978850687507	Different Family
[P35968, P36888]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	P35968	6.872895201635193	7.033389013318065	0.1604938116828727	Different Family
[P35968, P36888]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P36888	P35968	8.67778070526608	7.684029654543083	0.9937510507229979	Different Family
[P35968, P36888]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P36888	P35968	7.568636235841013	7.263621775341393	0.30501446049961967	Different Family
[P35968, P36888]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P36888	P35968	8.032452023781138	6.371182096742968	1.6612699270381697	Different Family
[P35968, P36888]	Cc1cc(c-2ccccc(c12)OCCN3CCCC3CO)C=C4c5cc(ccc5NC4=O)F	P36888	P35968	7.164413578642458	6.730487055782084	0.43392652286037414	Different Family
[P35968, P36888]	Cc1cc(ccc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	8.154901959985743	8.221848749616356	0.06694678963061307	Different Family
[P35968, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	P35968	8.698970004336019	8.154901959985743	0.5440680443502757	Different Family
[P35968, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	7.698970004336019	7.568636235841013	0.13033376849500566	Different Family
[P35968, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	8.045757490560675	7.42021640338319	0.6255410871774849	Different Family
[P35968, P36888]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	7.568636235841013	6.431798275933005	1.136837959908008	Different Family
[P35968, P36888]	Cc1cc(no1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P36888	P35968	7.366531544420414	6.318758762624412	1.0477727817960014	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	7.886056647693163	7.301029995663981	0.5850266520291818	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	P35968	7.6777807052660805	7.0	0.6777807052660805	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)CCO	P36888	P35968	7.769551078621726	6.920818753952375	0.848732324669351	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	8.221848749616356	7.508638306165727	0.7132104434506292	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	6.236572006437063	6.431798275933005	0.1952262694959419	Different Family
[P35968, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	P35968	8.0	7.823908740944319	0.17609125905568135	Different Family
[P35968, P36888]	Cc1cc2c(cc1C)nc(cn2)c3ccccc3	P36888	P35968	5.958607314841775	5.2076083105017466	0.7509990043400281	Different Family
[P35968, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	P35968	8.0	8.349680610785484	0.34968061078548374	Different Family
[P35968, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(nn4CCOC)N)F	P36888	P35968	6.318758762624412	5.510041520575165	0.808717242049247	Different Family
[P35968, P36888]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	P35968	7.229147988357856	5.6777807052660805	1.5513672830917757	Different Family
[P35968, P36888]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P36888	P35968	6.304255724802677	6.415555692834824	0.1112999680321467	Different Family
[P35968, P36888]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	8.698970004336019	7.920818753952375	0.7781512503836439	Different Family
[P35968, P36888]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P36888	P35968	4.402304814074488	4.249491605148654	0.15281320892583405	Different Family
[P35968, P36888]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	P35968	8.96657624451305	6.27417000967942	2.69240623483363	Different Family
[P35968, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P35968	8.420818753952375	8.638272163982407	0.21745341003003205	Different Family
[P35968, P36888]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P36888	P35968	9.522878745280337	8.56804131152107	0.954837433759268	Different Family
[P35968, P36888]	Cc1ccc(cc1F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.327902142064283	7.381228130928562	0.05332598886427942	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)Cl)c3csc4c3c(ncn4)N	P36888	P35968	7.229147988357856	7.0	0.2291479883578562	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)F)c3csc4c3c(ncn4)N	P36888	P35968	8.0	7.958607314841775	0.04139268515822536	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)OC)c3csc4c3c(ncn4)N	P36888	P35968	6.853871964321762	7.0	0.14612803567823818	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)Br	P36888	P35968	7.886056647693163	8.0	0.11394335230683694	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCN(CC5)C	P36888	P35968	6.667561540084395	5.920818753952375	0.7467427861320202	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)CN5CCOCC5	P36888	P35968	6.346787486224656	6.4089353929735005	0.062147906748844406	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)F	P36888	P35968	7.853871964321762	8.301029995663981	0.44715803134221943	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OC	P36888	P35968	7.5376020021010435	7.585026652029182	0.04742464992813833	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN(C)C	P36888	P35968	7.136677139879544	7.670517578667782	0.5338404387882383	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5	P36888	P35968	6.920818753952375	7.508638306165727	0.587819552213352	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCCC5=O	P36888	P35968	7.823908740944319	7.6020599913279625	0.22184874961635614	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCN5CCOCC5	P36888	P35968	7.619788758288394	7.46479633912994	0.15499241915845374	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3ccc(c4c3c(n[nH]4)N)OCCOC	P36888	P35968	7.468521082957745	7.7508447231052	0.2823236401474549	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.920818753952375	8.20446769648675	0.28364894253437534	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(nn4C)N	P36888	P35968	8.096910013008056	7.798439739412091	0.29847027359596545	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(nn4CCN5CCOCC5)N	P36888	P35968	6.0655015487564325	5.886056647693163	0.1794449010632695	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(nn4CCO)N	P36888	P35968	6.568636235841013	6.221848749616356	0.34678748622465694	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P36888	P35968	8.742321425130816	8.25770773535858	0.48461368977223707	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P36888	P35968	8.661543506395395	8.795880017344075	0.13433651094868004	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P36888	P35968	8.698970004336019	8.761439372640169	0.06246936830414995	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2Cl)c3csc4c3c(ncn4)N	P36888	P35968	6.154901959985743	7.080921907623926	0.9260199476381832	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2F)c3csc4c3c(ncn4)N	P36888	P35968	7.173925197299173	8.210108201691595	1.0361830043924218	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2OC)c3csc4c3c(ncn4)N	P36888	P35968	6.886056647693163	7.886056647693163	1.0	Different Family
[P35968, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc3c(c2)CCC4C3c5c(ncnc5S4)N	P36888	P35968	7.443697499232713	6.823908740944319	0.6197887582883945	Different Family
[P35968, P36888]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	8.522878745280337	7.078695380194719	1.4441833650856184	Different Family
[P35968, P36888]	Cc1cnc(s1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	P35968	7.301029995663981	7.455931955649724	0.15490195998574308	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCC(CC2)N)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	P35968	7.136677139879544	7.275724130399211	0.13904699051966674	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	P35968	7.455931955649724	7.920818753952375	0.46488679830265056	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	P35968	7.7447274948966935	6.508638306165727	1.2360891887309666	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	P35968	6.552841968657781	6.2076083105017466	0.345233658156034	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	P35968	7.102372908709558	6.795880017344075	0.3064928913654832	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	P35968	7.022276394711152	7.301029995663981	0.27875360095282886	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	P35968	8.0	6.619788758288394	1.3802112417116064	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	P35968	7.585026652029182	7.070581074285707	0.5144455777434747	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cccc(c5)Cl	P36888	P35968	7.585026652029182	7.42021640338319	0.16481024864599192	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	P35968	7.769551078621726	6.721246399047171	1.0483046795745548	Different Family
[P35968, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cccc(c5)Cl	P36888	P35968	7.698970004336019	7.508638306165727	0.19033169817029183	Different Family
[P35968, P36888]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P36888	P35968	6.356547323513812	6.795880017344075	0.43933269383026285	Different Family
[P35968, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	P35968	5.301029995663981	4.823908740944319	0.4771212547196626	Different Family
[P35968, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P36888	P35968	4.853871964321762	4.508638306165727	0.3452336581560349	Different Family
[P35968, P36888]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	P35968	9.0	8.051220962623397	0.9487790373766032	Different Family
[P35968, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	P35968	7.657577319177793	7.356547323513813	0.30102999566398037	Different Family
[P35968, P36888]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P36888	P35968	6.657577319177793	7.045757490560675	0.3881801713828814	Different Family
[P35968, P36888]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P36888	P35968	5.7447274948966935	6.698970004336019	0.9542425094393252	Different Family
[P35968, P36888]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P36888	P35968	6.050609993355088	6.040958607678906	0.009651385676181512	Different Family
[P35968, P36888]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P36888	P35968	4.5638373529592435	5.585026652029182	1.0211892990699383	Different Family
[P35968, P36888]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P36888	P35968	6.619788758288394	6.0	0.6197887582883936	Different Family
[P35968, P36888]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P36888	P35968	7.958607314841775	5.751658843330804	2.2069484715109704	Different Family
[P35968, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	P35968	5.619788758288394	5.920818753952375	0.30102999566398125	Different Family
[P35968, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	P35968	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P35968, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P35968	6.229147988357856	6.552841968657781	0.32369398029992436	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)N	P36888	P35968	7.366531544420414	5.319664486585437	2.0468670578349766	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)C4CCCCC4	P36888	P35968	7.886056647693163	7.0655015487564325	0.8205550989367305	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)NC4CCCC4	P36888	P35968	7.4089353929735005	6.815308569182402	0.5936268237910989	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P36888	P35968	6.568636235841013	6.933390271633753	0.3647540357927399	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P36888	P35968	7.585026652029182	7.173925197299173	0.4111014547300087	Different Family
[P35968, P36888]	c1cc(c2c(c1)[nH]nc2N)c3ccc(cc3)NC(=O)Nc4ccsc4	P36888	P35968	8.301029995663981	7.823908740944319	0.4771212547196626	Different Family
[P35968, P36888]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	6.97469413473523	7.443697499232713	0.4690033644974836	Different Family
[P35968, P36888]	c1cc(cc(c1)Cl)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	8.522878745280337	7.824875990832918	0.698002754447419	Different Family
[P35968, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P35968	5.366531544420414	5.301029995663981	0.06550154875643255	Different Family
[P35968, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P35968	5.481486060122113	6.0	0.5185139398778871	Different Family
[P35968, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	P35968	5.958607314841775	5.928117992693875	0.030489322147899678	Different Family
[P35968, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.6020599913279625	7.638272163982407	0.03621217265444443	Different Family
[P35968, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P36888	P35968	8.916489102104872	8.649301437839775	0.2671876642650979	Different Family
[P35968, P36888]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3c4cn[nH]c4ncn3)C(F)(F)F	P36888	P35968	8.221848749616356	7.958607314841775	0.2632414347745815	Different Family
[P35968, P36888]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)C(F)(F)F	P36888	P35968	8.0	7.747425010840047	0.25257498915995313	Different Family
[P35968, P36888]	c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.585026652029182	7.259637310505756	0.3253893415234259	Different Family
[P35968, P36888]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P36888	P35968	7.583359492661719	8.337242168318426	0.7538826756567065	Different Family
[P35968, P36888]	c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)Oc3c4cn[nH]c4ncn3	P36888	P35968	7.8979400086720375	7.42021640338319	0.4777236052888476	Different Family
[P35968, P36888]	c1cc(ccc1CNC(=O)Nc2ccc(cc2)Cl)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	7.795880017344075	7.1487416512809245	0.6471383660631504	Different Family
[P35968, P36888]	c1cc(ccc1CNC(=O)Nc2ccc(cc2)F)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	7.180456064458132	6.886056647693163	0.2943994167649686	Different Family
[P35968, P36888]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P36888	P35968	8.686132779630846	7.064240896254688	1.6218918833761578	Different Family
[P35968, P36888]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P36888	P35968	6.823908740944319	6.221848749616356	0.6020599913279625	Different Family
[P35968, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	P35968	5.5376020021010435	5.886056647693163	0.3484546455921196	Different Family
[P35968, P36888]	c1cc2c(cc1NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)C=Nc4c(ncnc4Cl)O2	P36888	P35968	6.346787486224656	5.022276394711152	1.3245110915135037	Different Family
[P35968, P36888]	c1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	P35968	6.804100347590766	7.086186147616283	0.2820858000255173	Different Family
[P35968, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P35968	6.142667503568732	5.3872161432802645	0.7554513602884674	Different Family
[P35968, P36888]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCCN5CCCC5	P36888	P35968	7.721246399047171	6.619788758288394	1.1014576407587775	Different Family
[P35968, P36888]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	7.769551078621726	6.431798275933005	1.3377528026887209	Different Family
[P35968, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P35968	5.853871964321762	5.1487416512809245	0.7051303130408373	Different Family
[P35968, P36888]	c1ccc(cc1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	P35968	8.045757490560675	7.267606240177032	0.778151250383643	Different Family
[P35968, P36888]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N	P36888	P35968	7.267606240177032	7.1938200260161125	0.07378621416091935	Different Family
[P35968, P36888]	c1ccc(cc1)OC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P36888	P35968	7.3979400086720375	6.522878745280337	0.8750612633917001	Different Family
[P35968, P36888]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P36888	P35968	4.3851027839668655	4.645891560852599	0.2607887768857333	Different Family
[P35968, P36888]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	P36888	P35968	7.455931955649724	7.468521082957745	0.01258912730802031	Different Family
[P35968, P36888]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P36888	P35968	6.853871964321762	5.6020599913279625	1.2518119729937993	Different Family
[P35968, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	P36888	P35968	7.823908740944319	7.920818753952375	0.09691001300805624	Different Family
[P35968, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	P35968	7.031517051446065	5.853871964321762	1.1776450871243034	Different Family
[P35968, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	P36888	P35968	7.481486060122113	5.886056647693163	1.5954294124289499	Different Family
[P35968, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P35968	5.0915149811213505	5.187086643357144	0.09557166223579383	Different Family
[P04629, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P04629	7.1487416512809245	8.522878745280337	1.3741370939994129	Different Family
[P04629, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	P04629	7.346787486224656	7.455931955649724	0.10914446942506828	Different Family
[P04629, P36888]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P36888	P04629	7.6777807052660805	6.823908740944319	0.8538719643217618	Different Family
[P04629, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	P04629	6.785156151952302	8.761439372640169	1.9762832206878667	Different Family
[P04629, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	P04629	6.174573882232177	7.522878745280337	1.3483048630481607	Different Family
[P04629, P36888]	CS(=O)(=O)CCN1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P36888	P04629	7.008773924307505	6.301029995663981	0.7077439286435236	Different Family
[P04629, P36888]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P36888	P04629	7.086186147616283	8.522878745280337	1.436692597664054	Different Family
[P04629, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	P04629	7.657577319177793	7.337242168318426	0.3203351508593677	Different Family
[P04629, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P04629	5.366531544420414	8.306939584650792	2.940408040230378	Different Family
[P04629, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P04629	5.481486060122113	9.0	3.518513939877887	Different Family
[P04629, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P36888	P04629	5.958607314841775	5.728158393463501	0.23044892137827322	Different Family
[P04629, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P04629	6.142667503568732	6.070581074285707	0.07208642928302478	Different Family
[P04629, P36888]	c1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)NC(=O)c4c5ccccc5[nH]n4	P36888	P04629	8.022878745280337	6.863279432843593	1.159599312436744	Different Family
[P04629, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P04629	5.0915149811213505	8.522878745280337	3.431363764158987	Different Family
[P04629, P36888]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P36888	P04629	3.492144128304169	3.3334820194451193	0.15866210885904986	Different Family
[P23458, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P23458	9.698970004336019	8.21298436613614	1.4859856381998782	Different Family
[P23458, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	P23458	6.785156151952302	6.950781977329818	0.16562582537751602	Different Family
[P23458, P36888]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P36888	P23458	7.886056647693163	6.047691990337875	1.8383646573552879	Different Family
[P23458, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P23458	8.420818753952375	7.257274868695302	1.1635438852570728	Different Family
[P23458, P36888]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P36888	P23458	6.356547323513812	7.045757490560675	0.6892101670468627	Different Family
[P23458, P36888]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P36888	P23458	6.657577319177793	8.522878745280337	1.865301426102544	Different Family
[P23458, P36888]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P36888	P23458	5.7447274948966935	7.698970004336019	1.9542425094393252	Different Family
[P23458, P36888]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P36888	P23458	6.050609993355088	8.0	1.9493900066449124	Different Family
[P23458, P36888]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P36888	P23458	4.5638373529592435	7.522878745280337	2.959041392321094	Different Family
[P23458, P36888]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P36888	P23458	6.619788758288394	8.397940008672037	1.7781512503836439	Different Family
[P23458, P36888]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P36888	P23458	6.823908740944319	7.698970004336019	0.8750612633917001	Different Family
[O60674, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	O60674	9.698970004336019	9.060955120789046	0.6380148835469726	Different Family
[O60674, P36888]	CN1CC=CCCOc2cccc(c2)-c3ccnc(n3)Nc4cccc(c4)C1	P36888	O60674	7.376750709602099	6.769551078621726	0.6071996309803733	Different Family
[O60674, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	O60674	6.785156151952302	7.3979400086720375	0.6127838567197355	Different Family
[O60674, P36888]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P36888	O60674	7.886056647693163	5.978810700930062	1.9072459467631013	Different Family
[O60674, P36888]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P36888	O60674	6.319664486585437	5.513144644723057	0.8065198418623805	Different Family
[O60674, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	O60674	8.420818753952375	6.27083521030723	2.1499835436451447	Different Family
[O60674, P36888]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P36888	O60674	6.356547323513812	7.301029995663981	0.9444826721501691	Different Family
[O60674, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	O60674	7.657577319177793	6.638272163982407	1.0193051551953864	Different Family
[O60674, P36888]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P36888	O60674	6.657577319177793	8.0	1.3424226808222066	Different Family
[O60674, P36888]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P36888	O60674	5.7447274948966935	7.522878745280337	1.7781512503836439	Different Family
[O60674, P36888]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P36888	O60674	4.5638373529592435	7.045757490560675	2.4819201376014313	Different Family
[O60674, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	O60674	5.366531544420414	5.251811972993799	0.11471957142661449	Different Family
[O60674, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	O60674	5.481486060122113	5.568636235841013	0.08715017571890016	Different Family
[O60674, P36888]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P36888	O60674	6.856985199745905	5.756961951313706	1.1000232484321995	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)C(=O)CCCCC(=O)NO	P36888	O60674	6.655607726314889	6.262012673666569	0.39359505264831984	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)C(=O)CCCCCCC(=O)NO	P36888	O60674	6.079354998593212	6.164943898279883	0.08558889968667138	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)C(=O)CCCCCCCC(=O)NO	P36888	O60674	6.565431095965801	6.078313524516398	0.48711757144940293	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)CCCCC(=O)NO	P36888	O60674	6.661543506395395	6.406713932979542	0.25482957341585255	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)CCCCCC(=O)NO	P36888	O60674	6.540607512240769	6.2262135550188065	0.31439395722196295	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)COCC=CCN(C2)CCCCCCC(=O)NO	P36888	O60674	6.663540266151471	6.212539525481585	0.45100074066988594	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)OCCC=CCN(C2)C(=O)CCCCC(=O)NO	P36888	O60674	6.2549252084179425	6.609064892896621	0.35413968447867816	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)OCCC=CCN(C2)C(=O)CCCCCCC(=O)NO	P36888	O60674	5.901010360598823	6.253365801062421	0.35235544046359824	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)OCCC=CCN(C2)CCCCC(=O)NO	P36888	O60674	6.7447274948966935	6.533132379645891	0.21159511525080266	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)OCCC=CCN(C2)CCCCCC(=O)NO	P36888	O60674	6.966576244513051	5.981299501333757	0.9852767431792939	Different Family
[O60674, P36888]	c1cc2cc(c1)Nc3nccc(n3)-c4cccc(c4)OCCC=CCN(C2)CCCCCCC(=O)NO	P36888	O60674	7.060480747381382	6.163675884293248	0.8968048630881338	Different Family
[O60674, P36888]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P36888	O60674	7.698970004336019	6.978810700930062	0.720159303405957	Different Family
[O60674, P36888]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P36888	O60674	7.698970004336019	6.167491087293763	1.5314789170422554	Different Family
[O60674, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	O60674	6.142667503568732	5.327902142064283	0.814765361504449	Different Family
[O60674, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	O60674	5.0915149811213505	5.173925197299174	0.08241021617782351	Different Family
[P11802, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P11802	4.698970004336019	4.568636235841013	0.13033376849500566	Different Group
[P11802, P36888]	CC(CO)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	P36888	P11802	7.366531544420414	7.372363747448347	0.0058322030279329695	Different Group
[P11802, P36888]	CC1(CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6)C	P36888	P11802	7.769551078621726	8.455931955649724	0.6863808770279984	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnc(cc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)C(=O)CO)OC	P36888	P11802	6.841637507904751	6.072116589669293	0.7695209182354574	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnc(cc3c4c2nc(nc4)Nc5ccc6c(n5)CCNC6)OC	P36888	P11802	7.481486060122113	5.747146969020107	1.7343390911020062	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5cc6c(cn5)CCN(C6)CCO	P36888	P11802	8.568636235841012	7.735182176990463	0.833454058850549	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5cc6c(cn5)CCNC6	P36888	P11802	7.132532512140949	6.590066876668706	0.5424656354722428	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	P36888	P11802	8.698970004336019	8.920818753952375	0.22184874961635614	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)C(CN(C6)CCO)C	P36888	P11802	8.508638306165727	7.692503962086787	0.8161343440789395	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)C(CN(C6)CCO)O	P36888	P11802	8.537602002101044	7.716698771296451	0.8209032308045936	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)C(CNC6)C	P36888	P11802	8.744727494896694	7.504455662453552	1.2402718324431419	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)C(CNC6)O	P36888	P11802	8.853871964321762	7.782516055786094	1.0713559085356676	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)C(=O)C	P36888	P11802	8.494850021680094	8.346787486224656	0.14806253545543768	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)C(=O)C(=O)O	P36888	P11802	8.481486060122112	6.920818753952375	1.5606673061697371	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)C(=O)CO	P36888	P11802	8.708312912202766	8.1290304611354	0.5792824510673658	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCC(F)(F)F	P36888	P11802	7.669586226650809	7.280668713016273	0.38891751363453597	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCCO	P36888	P11802	8.698970004336019	8.337242168318426	0.36172783601759306	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCF	P36888	P11802	8.468521082957745	7.137868620686962	1.3306524622707823	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCO	P36888	P11802	8.744727494896694	8.585026652029182	0.15970084286751174	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCOC	P36888	P11802	8.769551078621726	7.978810700930062	0.7907403776916642	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCN(C6)CCS(=O)(=O)C	P36888	P11802	7.442492798094342	8.619788758288394	1.1772959601940514	Different Group
[P11802, P36888]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc6c(n5)CCNC6	P36888	P11802	8.886056647693163	8.67778070526608	0.20827594242708258	Different Group
[P11802, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	P11802	5.657577319177793	4.522878745280337	1.134698573897456	Different Group
[P11802, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P11802	6.568636235841013	4.853871964321762	1.7147642715192513	Different Group
[P11802, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	P11802	5.00436480540245	4.455931955649724	0.548432849752726	Different Group
[P11802, P36888]	Cc1c2c(ccn1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCNCC6	P36888	P11802	7.657577319177793	7.698970004336019	0.04139268515822536	Different Group
[P11802, P36888]	Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5	P36888	P11802	5.458420756053419	7.877243666092925	2.4188229100395056	Different Group
[P11802, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	P11802	5.301029995663981	4.3979400086720375	0.9030899869919438	Different Group
[P11802, P36888]	c1cc(nc2c1CN(CC2)C(=O)CO)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	P36888	P11802	9.187086643357144	7.443697499232713	1.7433891441244311	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)C#N	P36888	P11802	7.337242168318426	7.568636235841013	0.2313940675225874	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)Cl	P36888	P11802	8.301029995663981	8.698970004336019	0.3979400086720375	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	P36888	P11802	7.958607314841775	8.698970004336019	0.7403626894942441	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)O	P36888	P11802	7.769551078621726	8.327902142064282	0.5583510634425561	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCC(CC6)O	P36888	P11802	8.301029995663981	8.602059991327963	0.30102999566398125	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	P36888	P11802	7.853871964321762	8.494850021680094	0.6409780573583319	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCCC6	P36888	P11802	8.698970004336019	7.958607314841775	0.7403626894942441	Different Group
[P11802, P36888]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnnc5n(c4n3)C6CCCC6	P36888	P11802	7.022276394711152	7.443697499232713	0.4214211045215608	Different Group
[P11362, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	P11362	7.1487416512809245	7.886056647693163	0.7373149964122385	Different Family
[P11362, P36888]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P36888	P11362	8.795880017344075	6.790484985457369	2.0053950318867058	Different Family
[P11362, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	P11362	7.346787486224656	7.301029995663981	0.045757490560674796	Different Family
[P11362, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P11362	9.698970004336019	8.200659450546418	1.4983105537896009	Different Family
[P11362, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P11362	7.585026652029182	7.2677386874207635	0.31728796460841835	Different Family
[P11362, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P36888	P11362	6.174573882232177	7.327902142064283	1.1533282598321062	Different Family
[P11362, P36888]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P36888	P11362	7.912928794093465	7.585026652029182	0.3279021420642829	Different Family
[P11362, P36888]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P36888	P11362	7.301029995663981	6.6020599913279625	0.6989700043360187	Different Family
[P11362, P36888]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	P11362	8.420818753952375	8.744727494896694	0.32390874094431865	Different Family
[P11362, P36888]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P36888	P11362	9.522878745280337	9.154901959985743	0.3679767852945943	Different Family
[P11362, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	P11362	7.657577319177793	7.187086643357144	0.4704906758206491	Different Family
[P11362, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P11362	5.853871964321762	5.366531544420414	0.487340419901348	Different Family
[P08581, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	P08581	4.698970004336019	4.5376020021010435	0.16136800223497527	Different Family
[P08581, P36888]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P36888	P08581	6.42021640338319	8.853871964321762	2.433655560938572	Different Family
[P08581, P36888]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P36888	P08581	7.756255301901422	5.349485002168009	2.406770299733413	Different Family
[P08581, P36888]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P36888	P08581	8.667561540084394	8.91721462968355	0.2496530895991551	Different Family
[P08581, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	P08581	6.568636235841013	4.455931955649724	2.1127042801912888	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P36888	P08581	6.4089353929735005	8.730487055782083	2.3215516628085826	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P36888	P08581	8.070581074285707	9.229147988357855	1.1585669140721482	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P36888	P08581	8.056505484093897	8.98296666070122	0.9264611766073223	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P36888	P08581	8.45717457304082	8.787812395596042	0.33063782255522156	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P36888	P08581	6.435689090039397	8.812479279163536	2.376790189124139	Different Family
[P08581, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P36888	P08581	8.050122295963126	8.643974142806877	0.5938518468437515	Different Family
[P08581, P36888]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	P08581	6.872895201635193	8.847711655616944	1.9748164539817514	Different Family
[P08581, P36888]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P36888	P08581	8.67778070526608	7.97469413473523	0.7030865705308509	Different Family
[P08581, P36888]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P36888	P08581	8.193820026016112	7.507239610973162	0.6865804150429504	Different Family
[P08581, P36888]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P36888	P08581	8.032452023781138	8.667561540084394	0.6351095163032561	Different Family
[P08581, P36888]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P36888	P08581	6.304255724802677	8.939302159646388	2.6350464348437113	Different Family
[P08581, P36888]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P36888	P08581	8.96657624451305	8.856985199745905	0.10959104476714465	Different Family
[P08581, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	P08581	5.619788758288394	5.958607314841775	0.338818556553381	Different Family
[P08581, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	P08581	5.853871964321762	6.096910013008056	0.24303804868629442	Different Family
[P08581, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P08581	6.229147988357856	6.236572006437063	0.0074240180792068955	Different Family
[P08581, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P08581	5.366531544420414	5.2441251443275085	0.12240640009290527	Different Family
[P08581, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P08581	5.481486060122113	5.366531544420414	0.11495451570169912	Different Family
[P08581, P36888]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P36888	P08581	8.686132779630846	8.774690718274137	0.08855793864329087	Different Family
[P08581, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	P08581	5.5376020021010435	5.552841968657781	0.015239966556737095	Different Family
[P08581, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P08581	6.142667503568732	5.292429823902063	0.8502376796666686	Different Family
[P08581, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P08581	5.0915149811213505	5.113509274827518	0.021994293706167234	Different Family
[O00444, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	O00444	4.698970004336019	4.552841968657781	0.14612803567823818	Different Group
[O00444, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	P36888	O00444	7.721246399047171	9.19520279538739	1.4739563963402187	Different Group
[O00444, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	P36888	O00444	7.494850021680094	8.585026652029182	1.090176630349088	Different Group
[O00444, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	O00444	7.958607314841775	9.013875755840463	1.055268440998688	Different Group
[O00444, P36888]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C=C4c5ccccc5NC4=O	P36888	O00444	7.455931955649724	8.548455006504028	1.0925230508543038	Different Group
[O00444, P36888]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	P36888	O00444	6.920818753952375	8.619788758288394	1.6989700043360187	Different Group
[O00444, P36888]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	P36888	O00444	7.619788758288394	8.891258027893047	1.271469269604653	Different Group
[O00444, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O00444	5.657577319177793	5.113509274827518	0.5440680443502757	Different Group
[O00444, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	O00444	6.568636235841013	6.00436480540245	0.5642714304385628	Different Group
[O00444, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	O00444	5.214670164989233	5.0	0.21467016498923286	Different Group
[O00444, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P36888	O00444	5.522878745280337	4.795880017344075	0.7269987279362624	Different Group
[O00444, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O00444	5.00436480540245	4.920818753952375	0.08354605145007543	Different Group
[O00444, P36888]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	P36888	O00444	6.823908740944319	8.468521082957745	1.644612342013426	Different Group
[O00444, P36888]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	O00444	7.187086643357144	8.851667404869234	1.6645807615120898	Different Group
[O00444, P36888]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P36888	O00444	7.229147988357856	8.200659450546418	0.9715114621885617	Different Group
[O00444, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	O00444	5.301029995663981	5.036212172654444	0.2648178230095368	Different Group
[O00444, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P36888	O00444	4.853871964321762	4.337242168318426	0.5166297960033361	Different Group
[O00444, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	O00444	5.619788758288394	5.3872161432802645	0.2325726150081291	Different Group
[O00444, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	O00444	5.853871964321762	6.154901959985743	0.30102999566398125	Different Group
[O00444, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	O00444	5.5376020021010435	5.721246399047171	0.18364439694612766	Different Group
[O00444, P36888]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	P36888	O00444	7.455931955649724	8.443697499232712	0.987765543582988	Different Group
[O00444, P36888]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P36888	O00444	6.853871964321762	6.587937083041726	0.2659348812800362	Different Group
[O00444, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	P36888	O00444	7.823908740944319	8.609841343929924	0.7859326029856053	Different Group
[O00444, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P36888	O00444	7.031517051446065	8.746072064152084	1.7145550127060192	Different Group
[O00444, P36888]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	P36888	O00444	7.481486060122113	8.443697499232712	0.9622114391105994	Different Group
[O00444, P36888]	c1ccc2c(c1)C3(CC3c4ccc5cn[nH]c5c4)C(=O)N2	P36888	O00444	5.494850021680094	6.0	0.5051499783199063	Different Group
[P07948, P36888]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P36888	P07948	5.040958607678906	5.008773924307505	0.032184683371401235	Different Family
[P07948, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	P07948	9.698970004336019	8.781918676479622	0.917051327856397	Different Family
[P07948, P36888]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P36888	P07948	7.585026652029182	6.709965388637482	0.8750612633917001	Different Family
[P07948, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P36888	P07948	6.928854709548917	4.8195873671616765	2.1092673423872403	Different Family
[P07948, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P36888	P07948	6.054531414868181	5.451733454829255	0.6027979600389255	Different Family
[P07948, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P36888	P07948	5.020087589665283	5.892450870255313	0.8723632805900303	Different Family
[P07948, P36888]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P36888	P07948	6.011485634166334	4.342752870116284	1.6687327640500502	Different Family
[P07948, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	P07948	5.366531544420414	5.309803919971486	0.05672762444892765	Different Family
[P07948, P36888]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	P07948	5.481486060122113	5.468521082957745	0.012964977164368285	Different Family
[P07948, P36888]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P36888	P07948	7.583359492661719	8.502401854201409	0.9190423615396899	Different Family
[P07948, P36888]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P36888	P07948	6.856985199745905	6.662284983266891	0.19470021647901437	Different Family
[P07948, P36888]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P36888	P07948	7.698970004336019	6.950781977329818	0.7481880270062007	Different Family
[P07948, P36888]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P36888	P07948	7.698970004336019	5.922632094715843	1.7763379096201755	Different Family
[P07948, P36888]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	P07948	6.142667503568732	5.1249387366083	1.017728766960432	Different Family
[P07948, P36888]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P36888	P07948	5.853871964321762	5.853871964321762	0.0	Different Family
[P07948, P36888]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	P07948	5.0915149811213505	5.1938200260161125	0.102305044894762	Different Family
[P36888, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	Q02763	4.698970004336019	4.958607314841775	0.2596373105057559	Different Family
[P36888, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	Q02763	7.1487416512809245	7.479303657420887	0.3305620061399628	Different Family
[P36888, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	Q02763	9.698970004336019	6.671212799645465	3.0277572046905536	Different Family
[P36888, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P36888	Q02763	8.045757490560675	5.337242168318426	2.708515322242249	Different Family
[P36888, Q02763]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	Q02763	4.6020599913279625	4.6020599913279625	0.0	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	Q02763	5.657577319177793	4.468521082957745	1.1890562362200487	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	Q02763	6.568636235841013	5.841805124463402	0.7268311113776109	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	Q02763	5.214670164989233	5.2839966563652006	0.06932649137596769	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P36888	Q02763	5.522878745280337	4.6020599913279625	0.9208187539523749	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P36888	Q02763	4.468521082957745	4.585026652029182	0.11650556907143717	Different Family
[P36888, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P36888	Q02763	4.443697499232712	4.958607314841775	0.5149098156090623	Different Family
[P36888, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P36888	Q02763	7.568636235841013	7.769551078621726	0.2009148427807128	Different Family
[P36888, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	Q02763	8.0	6.769551078621726	1.230448921378274	Different Family
[P36888, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P36888	Q02763	8.420818753952375	8.657577319177793	0.2367585652254185	Different Family
[P36888, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P36888	Q02763	8.698970004336019	6.139672321724138	2.5592976826118807	Different Family
[P36888, Q02763]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P36888	Q02763	4.853871964321762	4.318758762624412	0.5351132016973494	Different Family
[P36888, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	Q02763	5.619788758288394	6.096910013008056	0.4771212547196626	Different Family
[P36888, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	Q02763	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P36888, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	Q02763	5.5376020021010435	5.7447274948966935	0.20712549279565007	Different Family
[P36888, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	Q9UM73	8.397940008672037	5.346787486224656	3.0511525224473814	Different Group
[P36888, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	Q9UM73	8.096910013008056	6.0655015487564325	2.0314084642516237	Different Group
[P36888, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P36888	Q9UM73	7.823908740944319	6.252588192113577	1.5713205488307418	Different Group
[P36888, Q9UM73]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	Q9UM73	7.1487416512809245	6.87942606879415	0.2693155824867741	Different Group
[P36888, Q9UM73]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	Q9UM73	7.346787486224656	7.301029995663981	0.045757490560674796	Different Group
[P36888, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	Q9UM73	9.698970004336019	7.948515197953478	1.7504548063825407	Different Group
[P36888, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P36888	Q9UM73	8.67778070526608	9.431798275933005	0.7540175706669245	Different Group
[P36888, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	Q9UM73	6.785156151952302	7.590228032229065	0.8050718802767634	Different Group
[P36888, Q9UM73]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	Q9UM73	8.698970004336019	6.752026733638194	1.9469432706978251	Different Group
[P36888, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	Q9UM73	6.229147988357856	5.478861916295964	0.7502860720618925	Different Group
[P36888, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	Q9UM73	5.366531544420414	5.465907069126919	0.09937552470650513	Different Group
[P36888, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	Q9UM73	5.481486060122113	5.789198036565084	0.3077119764429712	Different Group
[P36888, Q9UM73]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P36888	Q9UM73	7.698970004336019	7.154901959985743	0.5440680443502757	Different Group
[P36888, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	Q9UM73	6.142667503568732	5.41369853439507	0.7289689691736623	Different Group
[P36888, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	Q9UM73	5.0915149811213505	5.200659450546418	0.10914446942506739	Different Group
[O14965, P36888]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P36888	O14965	4.698970004336019	4.522878745280337	0.17609125905568135	Different Group
[O14965, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	O14965	8.096910013008056	6.795880017344075	1.3010299956639813	Different Group
[O14965, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	7.522878745280337	7.275724130399211	0.24715461488112656	Different Group
[O14965, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P36888	O14965	7.823908740944319	7.327902142064283	0.49600659888003573	Different Group
[O14965, P36888]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	O14965	7.721246399047171	6.795880017344075	0.9253663817030962	Different Group
[O14965, P36888]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P36888	O14965	8.714442690992227	5.441309425467385	3.2731332655248417	Different Group
[O14965, P36888]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	O14965	7.1487416512809245	7.376750709602099	0.22800905832117468	Different Group
[O14965, P36888]	CC(CO)N=C(c1c(nsc1Nc2ccc(cc2)Oc3ccccc3)O)N	P36888	O14965	6.0996328713435295	6.585026652029182	0.4853937806856523	Different Group
[O14965, P36888]	CC(CO)NC(=N)c1c(nsc1Nc2ccc(cc2)Nc3ccccc3)O	P36888	O14965	6.348721986001856	6.576754126063192	0.22803214006133565	Different Group
[O14965, P36888]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P36888	O14965	7.346787486224656	7.236572006437063	0.11021547978759294	Different Group
[O14965, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P36888	O14965	7.713921221523496	7.096910013008056	0.6170112085154393	Different Group
[O14965, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	O14965	9.698970004336019	8.160579629225387	1.538390375110632	Different Group
[O14965, P36888]	CCCCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	O14965	7.657577319177793	7.42021640338319	0.2373609157946035	Different Group
[O14965, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cc(on5)C6CC6	P36888	O14965	7.481486060122113	7.443697499232713	0.03778856088939975	Different Group
[O14965, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)Cl	P36888	O14965	6.494850021680094	7.022276394711152	0.5274263730310587	Different Group
[O14965, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)OCc5ccccc5	P36888	O14965	7.080921907623926	6.494850021680094	0.5860718859438325	Different Group
[O14965, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)c5ccccc5	P36888	O14965	6.070581074285707	6.853871964321762	0.7832908900360547	Different Group
[O14965, P36888]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NS(=O)(=O)c5ccccc5	P36888	O14965	6.2839966563652006	7.366531544420414	1.0825348880552133	Different Group
[O14965, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCC(C5)N	P36888	O14965	7.853871964321762	7.42021640338319	0.43365556093857194	Different Group
[O14965, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	O14965	7.309803919971486	7.3872161432802645	0.0774122233087784	Different Group
[O14965, P36888]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)CC	P36888	O14965	7.710108201691595	7.494850021680094	0.2152581800115012	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	O14965	6.785156151952302	6.667561540084395	0.11759461186790698	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	O14965	8.221848749616356	6.055517327849832	2.1663314217665244	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNS(=O)(=O)c5ccccc5	P36888	O14965	6.853871964321762	6.0	0.8538719643217618	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	O14965	7.886056647693163	6.481486060122113	1.4045705875710501	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccn5	P36888	O14965	7.3979400086720375	6.214670164989233	1.1832698436828046	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5cccnc5	P36888	O14965	7.130768280269024	6.522878745280337	0.6078895349886864	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4cccc(c4)NS(=O)(=O)c5ccccc5	P36888	O14965	7.958607314841775	6.468521082957745	1.49008623188403	Different Group
[O14965, P36888]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	P36888	O14965	6.7447274948966935	6.431798275933005	0.3129292189636885	Different Group
[O14965, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O14965	5.657577319177793	5.494850021680094	0.16272729749769965	Different Group
[O14965, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	O14965	6.568636235841013	5.135985522789741	1.432650713051272	Different Group
[O14965, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P36888	O14965	5.214670164989233	4.795880017344075	0.4187901476451579	Different Group
[O14965, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P36888	O14965	5.522878745280337	4.327902142064283	1.1949766032160545	Different Group
[O14965, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O14965	5.00436480540245	4.795880017344075	0.20848478805837534	Different Group
[O14965, P36888]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P36888	O14965	8.913640169325252	6.244018488604927	2.669621680720325	Different Group
[O14965, P36888]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P36888	O14965	8.193820026016112	6.692503962086787	1.501316063929325	Different Group
[O14965, P36888]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)Nc5ccccc5	P36888	O14965	6.790484985457369	7.217307516268037	0.4268225308106679	Different Group
[O14965, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P36888	O14965	8.698970004336019	7.136677139879544	1.5622928644564746	Different Group
[O14965, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	O14965	7.698970004336019	7.161150909262744	0.5378190950732744	Different Group
[O14965, P36888]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	8.045757490560675	6.6020599913279625	1.4436974992327123	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	7.886056647693163	6.026872146400302	1.8591845012928614	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	O14965	7.6777807052660805	6.494850021680094	1.1829306835859867	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)CCO	P36888	O14965	7.769551078621726	7.008773924307505	0.760777154314221	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	8.221848749616356	6.920818753952375	1.3010299956639813	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	O14965	6.236572006437063	7.6020599913279625	1.3654879848908994	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P36888	O14965	8.0	7.251811972993799	0.7481880270062007	Different Group
[O14965, P36888]	Cc1cc(no1)NC(=O)Nc2ccc(cc2Cl)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	6.4089353929735005	6.221848749616356	0.1870866433571443	Different Group
[O14965, P36888]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P36888	O14965	8.0	6.119186407719209	1.8808135922807914	Different Group
[O14965, P36888]	Cc1ccc(cc1)NC(=O)Nc2nnc(s2)Sc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P36888	O14965	8.0	5.823908740944319	2.1760912590556813	Different Group
[O14965, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P36888	O14965	8.742321425130816	6.4470885497834916	2.295232875347325	Different Group
[O14965, P36888]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P36888	O14965	8.661543506395395	6.605005790081489	2.0565377163139056	Different Group
[O14965, P36888]	Cc1cnc(s1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P36888	O14965	7.301029995663981	7.187086643357144	0.11394335230683694	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCC(CC2)N)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	O14965	7.136677139879544	6.823908740944319	0.31276839893522546	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	O14965	7.455931955649724	6.920818753952375	0.5351132016973494	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	O14965	7.7447274948966935	6.366531544420414	1.3781959504762797	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P36888	O14965	6.552841968657781	6.301029995663981	0.2518119729937993	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	O14965	7.022276394711152	6.309803919971486	0.7124724747396662	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	O14965	8.0	6.769551078621726	1.230448921378274	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P36888	O14965	7.585026652029182	6.1487416512809245	1.4362850007482573	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cccc(c5)Cl	P36888	O14965	7.585026652029182	6.102372908709558	1.4826537433196236	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P36888	O14965	7.769551078621726	6.455931955649724	1.3136191229720016	Different Group
[O14965, P36888]	Cc1nc(cc(n1)N2CCNCC2)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cccc(c5)Cl	P36888	O14965	7.698970004336019	6.568636235841013	1.1303337684950057	Different Group
[O14965, P36888]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P36888	O14965	6.356547323513812	6.468521082957745	0.11197375944393251	Different Group
[O14965, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	O14965	5.301029995663981	5.494850021680094	0.19382002601611248	Different Group
[O14965, P36888]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P36888	O14965	9.0	8.522878745280337	0.4771212547196626	Different Group
[O14965, P36888]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	O14965	7.657577319177793	6.537602002101044	1.119975317076749	Different Group
[O14965, P36888]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P36888	O14965	5.275724130399211	5.769551078621726	0.49382694822251505	Different Group
[O14965, P36888]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P36888	O14965	6.657577319177793	6.886056647693163	0.22847932851536967	Different Group
[O14965, P36888]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P36888	O14965	5.7447274948966935	6.2441251443275085	0.499397649430815	Different Group
[O14965, P36888]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P36888	O14965	6.050609993355088	6.568636235841013	0.5180262424859254	Different Group
[O14965, P36888]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P36888	O14965	4.5638373529592435	4.815308569182402	0.25147121622315805	Different Group
[O14965, P36888]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P36888	O14965	6.619788758288394	7.3979400086720375	0.7781512503836439	Different Group
[O14965, P36888]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P36888	O14965	7.958607314841775	6.258139605934736	1.7004677089070386	Different Group
[O14965, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	O14965	5.619788758288394	7.0	1.3802112417116064	Different Group
[O14965, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	O14965	5.853871964321762	5.585026652029182	0.26884531229258	Different Group
[O14965, P36888]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P36888	O14965	8.916489102104872	5.747181901218205	3.169307200886667	Different Group
[O14965, P36888]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P36888	O14965	6.823908740944319	7.522878745280337	0.6989700043360187	Different Group
[O14965, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	O14965	5.5376020021010435	5.4089353929735005	0.12866660912754302	Different Group
[O14965, P36888]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	O14965	7.769551078621726	6.229147988357856	1.5404030902638697	Different Group
[O14965, P36888]	c1ccc(cc1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P36888	O14965	8.045757490560675	6.119186407719209	1.9265710828414662	Different Group
[P30530, P36888]	CC(CO)N=C(c1c(nsc1Nc2ccc(cc2)Oc3ccccc3)O)N	P36888	P30530	6.0996328713435295	6.341988603342887	0.2423557319993579	Different Family
[P30530, P36888]	CC(CO)NC(=N)c1c(nsc1Nc2ccc(cc2)Nc3ccccc3)O	P36888	P30530	6.348721986001856	6.410050398674292	0.061328412672435384	Different Family
[P30530, P36888]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P36888	P30530	7.0670191780768015	6.769551078621726	0.2974680994550756	Different Family
[P30530, P36888]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(c(c4)F)S(=O)(=O)N5CCN(CC5)C	P36888	P30530	8.920818753952375	7.657577319177793	1.2632414347745815	Different Family
[P30530, P36888]	CCCCNc1ncc2c(nn(c2n1)C3CCC(CC3)O)c4ccc(cc4)S(=O)(=O)N5CCOCC5	P36888	P30530	8.522878745280337	7.070581074285707	1.4522976709946303	Different Family
[P30530, P36888]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P36888	P30530	7.756255301901422	8.045757490560675	0.28950218865925237	Different Family
[P30530, P36888]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P36888	P30530	7.6777807052660805	5.585026652029182	2.0927540532368987	Different Family
[P30530, P36888]	CN1CCN(CC1)Cc2ccc(cc2)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P36888	P30530	9.0	7.823908740944319	1.1760912590556813	Different Family
[P30530, P36888]	CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2)F)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P36888	P30530	8.522878745280337	7.494850021680094	1.0280287236002437	Different Family
[P30530, P36888]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P36888	P30530	8.25336580106242	7.958607314841775	0.2947584862206458	Different Family
[P30530, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	P30530	6.229147988357856	6.017728766960432	0.2114192213974242	Different Family
[P36888, Q16620]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P36888	Q16620	7.1487416512809245	8.301029995663981	1.1522883443830567	Different Family
[P36888, Q16620]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	Q16620	9.698970004336019	8.682258126592544	1.0167118777434752	Different Family
[P36888, Q16620]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P36888	Q16620	6.785156151952302	8.522878745280337	1.7377225933280354	Different Family
[P36888, Q16620]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P36888	Q16620	7.301029995663981	6.721246399047171	0.5797835966168101	Different Family
[P36888, Q16620]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P36888	Q16620	7.657577319177793	7.214670164989233	0.4429071541885605	Different Family
[P36888, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P36888	Q16620	5.366531544420414	8.397940008672037	3.0314084642516237	Different Family
[P36888, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P36888	Q16620	5.481486060122113	9.0	3.518513939877887	Different Family
[P36888, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P36888	Q16620	6.142667503568732	6.82477907173247	0.6821115681637382	Different Family
[P36888, Q16620]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P36888	Q16620	5.0915149811213505	9.0	3.9084850188786495	Different Family
[P36888, Q16620]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P36888	Q16620	3.492144128304169	2.9244530386074694	0.5676910896966998	Different Family
[O60285, P36888]	CC(C)n1c-2c(c3c1C(=O)CCC3=O)C(=O)c4c2cccc4	P36888	O60285	6.7447274948966935	6.2441251443275085	0.500602350569185	Different Group
[O60285, P36888]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36888	O60285	9.698970004336019	8.096910013008056	1.6020599913279625	Different Group
[O60285, P36888]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4cc(c(=O)n(c4n3)C5CCCC5)C#N	P36888	O60285	7.912928794093465	8.30539480106643	0.39246600697296596	Different Group
[O60285, P36888]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	P36888	O60285	7.055517327849832	7.585026652029182	0.52950932417935	Different Group
[O60285, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O60285	5.657577319177793	5.7447274948966935	0.08715017571890016	Different Group
[O60285, P36888]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P36888	O60285	6.568636235841013	4.366531544420414	2.2021046914205993	Different Group
[O60285, P36888]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P36888	O60285	5.522878745280337	4.468521082957745	1.0543576623225928	Different Group
[O60285, P36888]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P36888	O60285	5.00436480540245	5.698970004336019	0.6946051989335684	Different Group
[O60285, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P36888	O60285	5.301029995663981	5.309803919971486	0.008773924307504899	Different Group
[O60285, P36888]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P36888	O60285	4.853871964321762	5.443697499232713	0.5898255349109514	Different Group
[O60285, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P36888	O60285	5.619788758288394	5.7447274948966935	0.1249387366082999	Different Group
[O60285, P36888]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P36888	O60285	5.853871964321762	5.769551078621726	0.08432088570003593	Different Group
[O60285, P36888]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P36888	O60285	6.229147988357856	5.293282217663241	0.9358657706946154	Different Group
[O60285, P36888]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P36888	O60285	5.5376020021010435	5.494850021680094	0.04275198042094974	Different Group
[O60285, P36888]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCC(CC4)N	P36888	O60285	8.301029995663981	8.698970004336019	0.3979400086720375	Different Group
[P00533, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P06213	P00533	4.443697499232712	7.107905397309519	2.664207898076807	Different Family
[P00533, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)NO	P06213	P00533	4.187086643357144	5.920818753952375	1.7337321105952306	Different Family
[P00533, P06213]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P06213	P00533	4.3872161432802645	5.886056647693163	1.4988405044128985	Different Family
[P00533, P06213]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P00533	4.568636235841013	5.045757490560675	0.4771212547196617	Different Family
[P00533, P06213]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	P00533	7.286308885233723	6.998856140607032	0.287452744626691	Different Family
[P00533, P06213]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06213	P00533	6.799998134593398	6.199998172182031	0.599999962411367	Different Family
[P00533, P06213]	CCc1ccccc1NC(=O)N2CC(Oc3c2ccc(c3)c4ccc(cc4)C5CCC(CC5)CC(=O)O)C	P06213	P00533	5.2441251443275085	5.1249387366083	0.11918640771920863	Different Family
[P00533, P06213]	CN(C)C1CCN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P06213	P00533	7.6777807052660805	3.447331783887807	4.230448921378274	Different Family
[P00533, P06213]	CN(C)C1CN(C1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl)OC	P06213	P00533	7.455931955649724	3.0277971616209354	4.428134794028789	Different Family
[P00533, P06213]	CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2ncc(c(n2)c3cnn4c3cccc4)Cl)OC	P06213	P00533	8.045757490560675	3.838631997765025	4.207125492795649	Different Family
[P00533, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P00533	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	P00533	4.730020323354676	4.522878745280337	0.20714157807433864	Different Family
[P00533, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	P00533	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	P00533	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P06213]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cc(ccc5F)c6ccsc6	P06213	P00533	4.927934008585254	6.242603971206976	1.3146699626217222	Different Family
[P00533, P06213]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccoc6	P06213	P00533	5.281664421091493	6.774690718274138	1.4930262971826442	Different Family
[P00533, P06213]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccsc6	P06213	P00533	5.541815564429737	7.026872146400302	1.4850565819705643	Different Family
[P00533, P06213]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P06213	P00533	5.200659450546418	5.00436480540245	0.19629464514396755	Different Family
[P00533, P06213]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P00533	5.376750709602099	4.6020599913279625	0.7746907182741367	Different Family
[P00533, P06213]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P00533	4.717076090663241	4.645365019512084	0.0717110711511566	Different Family
[P00533, P06213]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	P00533	4.366531544420414	4.638272163982407	0.27174061956199314	Different Family
[P00533, P06213]	Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P06213	P00533	7.4089353929735005	5.115204636051019	2.293730756922481	Different Family
[P00533, P06213]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P00533	5.209011524911184	6.229147988357856	1.020136463446672	Different Family
[P00533, P06213]	Cn1cc(cn1)c2cccc(c2)S(=O)(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P06213	P00533	5.104190849830869	7.075720713938118	1.9715298641072492	Different Family
[P00533, P06213]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P00533	6.468521082957745	6.161150909262744	0.3073701736950003	Different Family
[P00533, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P00533	5.5376020021010435	5.886056647693163	0.3484546455921196	Different Family
[P00533, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	P00533	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P00533, P06213]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3cc(cnc3)NCCCO	P06213	P00533	5.772113295386326	5.866461091629782	0.09434779624345602	Different Family
[P00533, P06213]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P00533	5.807697862331014	5.638272163982407	0.16942569834860688	Different Family
[P00533, P06213]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	P00533	5.356547323513812	5.823908740944319	0.4673614174305065	Different Family
[P00533, P06213]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P06213	P00533	3.8239087409443187	7.481486060122113	3.6575773191777943	Different Family
[P00533, P06213]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P00533	6.163624385321103	5.2839966563652006	0.879627728955902	Different Family
[P00533, P06213]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P00533	5.585026652029182	5.337242168318426	0.24778448371075612	Different Family
[P06213, P07949]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P06213	P07949	6.856123638239906	5.221848749616356	1.6342748886235494	Different Family
[P06213, P07949]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P06213	P07949	7.153989824623698	5.031517051446065	2.122472773177633	Different Family
[P06213, P07949]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P06213	P07949	7.0	6.013228265733755	0.9867717342662452	Different Family
[P06213, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	P07949	7.286308885233723	8.497903821870143	1.2115949366364198	Different Family
[P06213, P07949]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	P07949	6.679853713888946	6.405607449624573	0.2742462642643728	Different Family
[P06213, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P07949	5.376750709602099	5.080921907623926	0.29582880197817296	Different Family
[P06213, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	P07949	5.221848749616356	5.221848749616356	0.0	Different Family
[P06213, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	P07949	5.275724130399211	5.431798275933005	0.15607414553379417	Different Family
[P06213, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P07949	5.807697862331014	8.096910013008056	2.2892121506770424	Different Family
[P06213, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	P07949	5.0655015487564325	5.309803919971486	0.2443023712150536	Different Family
[P06213, P07949]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P07949	6.163624385321103	5.481486060122113	0.6821383251989896	Different Family
[P06213, P07949]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P06213	P07949	5.055517327849832	5.096910013008056	0.041392685158224474	Different Family
[P06213, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	Q96GD4	4.568636235841013	4.366531544420414	0.20210469142059928	Different Group
[P06213, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	Q96GD4	7.286308885233723	8.564089641766962	1.2777807565332395	Different Group
[P06213, Q96GD4]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06213	Q96GD4	6.799998134593398	6.399996913372259	0.4000012212211388	Different Group
[P06213, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	Q96GD4	6.698970004336019	6.910094888560602	0.2111248842245832	Different Group
[P06213, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q96GD4	5.417709317281006	5.490259984429618	0.07255066714861158	Different Group
[P06213, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q96GD4	6.679853713888946	6.471083299722345	0.20877041416660091	Different Group
[P06213, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q96GD4	5.753501419204199	6.245651664288981	0.49215024508478145	Different Group
[P06213, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q96GD4	5.743282254022513	6.315154638355588	0.5718723843330746	Different Group
[P06213, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	Q96GD4	4.717076090663241	4.685805534974844	0.03127055568839676	Different Group
[P06213, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	Q96GD4	4.366531544420414	4.337242168318426	0.029289376101988118	Different Group
[P06213, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	Q96GD4	4.356547323513813	4.698970004336019	0.3424226808222057	Different Group
[P06213, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P06213	Q96GD4	4.327902142064283	5.008773924307505	0.680871782243222	Different Group
[P06213, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	Q96GD4	6.468521082957745	5.6020599913279625	0.8664610916297821	Different Group
[P06213, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	Q96GD4	5.5376020021010435	6.301029995663981	0.7634279935629378	Different Group
[P06213, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	Q96GD4	5.853871964321762	5.638272163982407	0.21559980033935489	Different Group
[P06213, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	Q96GD4	5.356547323513812	5.585026652029182	0.22847932851536967	Different Group
[P06213, P06239]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P06213	P06239	6.856123638239906	5.050609993355088	1.805513644884818	Different Family
[P06213, P06239]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P06213	P06239	7.153989824623698	5.309803919971486	1.8441859046522122	Different Family
[P06213, P06239]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P06213	P06239	7.0	5.130768280269024	1.8692317197309762	Different Family
[P06213, P06239]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06213	P06239	6.799998134593398	6.900008766455316	0.10001063186191761	Different Family
[P06213, P06239]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06213	P06239	5.5376020021010435	6.496981022501341	0.9593790204002977	Different Family
[P06213, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P06239	4.522878745280337	6.214670164989233	1.6917914197088955	Different Family
[P06213, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	P06239	4.730020323354676	5.866461091629782	1.136440768275106	Different Family
[P06213, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	P06239	4.522878745280337	4.823330067331851	0.30045132205151326	Different Family
[P06213, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	P06239	4.522878745280337	5.434152181326482	0.9112734360461445	Different Family
[P06213, P06239]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	P06239	6.698970004336019	6.47755576649368	0.22141423784233893	Different Family
[P06213, P06239]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P06239	5.376750709602099	5.958607314841775	0.5818566052396754	Different Family
[P06213, P06239]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06213	P06239	5.958607314841775	5.619788758288394	0.338818556553381	Different Family
[P06213, P06239]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P06239	5.209011524911184	6.657577319177793	1.4485657942666093	Different Family
[P06213, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	P06239	5.221848749616356	5.2839966563652006	0.062147906748844406	Different Family
[P06213, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	P06239	5.275724130399211	5.522878745280337	0.24715461488112656	Different Family
[P06213, P06239]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P06239	5.807697862331014	6.161150909262744	0.3534530469317305	Different Family
[P06213, P06239]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	P06239	5.0655015487564325	5.698970004336019	0.6334684555795862	Different Family
[P06213, P06239]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P06239	6.163624385321103	5.251811972993799	0.9118124123273033	Different Family
[P06213, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	P49841	4.730020323354676	4.522878745280337	0.20714157807433864	Different Group
[P06213, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P49841	4.717076090663241	5.958607314841775	1.2415312241785337	Different Group
[P06213, P49841]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P06213	P49841	5.3325470471100465	5.774690718274137	0.44214367116409026	Different Group
[P06213, P49841]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06213	P49841	5.958607314841775	4.443697499232712	1.5149098156090623	Different Group
[P06213, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P49841	5.209011524911184	5.111259039317107	0.09775248559407679	Different Group
[P06213, P49841]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P49841	6.468521082957745	5.1249387366083	1.3435823463494447	Different Group
[P06213, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P49841	5.807697862331014	5.7447274948966935	0.06297036743432027	Different Group
[P06213, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P12931	4.568636235841013	5.356547323513812	0.787911087672799	Different Family
[P06213, P12931]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06213	P12931	6.799998134593398	7.400007822415902	0.6000096878225039	Different Family
[P06213, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	P12931	6.698970004336019	5.363512103646634	1.3354579006893843	Different Family
[P06213, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P06213	P12931	6.0	6.1487416512809245	0.14874165128092454	Different Family
[P06213, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P12931	5.376750709602099	5.2403321553103694	0.13641855429172978	Different Family
[P06213, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P12931	4.717076090663241	4.68837535480105	0.02870073586219135	Different Family
[P06213, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	P12931	4.366531544420414	4.853871964321762	0.487340419901348	Different Family
[P06213, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	P12931	4.356547323513813	4.309803919971486	0.04674340354232687	Different Family
[P06213, P12931]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P06213	P12931	5.3325470471100465	5.432973633840939	0.10042658673089289	Different Family
[P06213, P12931]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P06213	P12931	5.038958783046688	5.6136794261059535	0.5747206430592655	Different Family
[P06213, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P12931	6.468521082957745	6.096910013008056	0.3716110699496884	Different Family
[P06213, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P12931	5.5376020021010435	5.721246399047171	0.18364439694612766	Different Family
[P06213, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	P12931	5.853871964321762	6.154901959985743	0.30102999566398125	Different Family
[P06213, P12931]	c1cc(c(cc1CN(Cc2ccc(c(c2)O)O)c3ccc4c(c3)OCO4)O)O	P06213	P12931	6.214670164989233	6.080921907623926	0.1337482573653066	Different Family
[P06213, P12931]	c1cc(c(cc1CNc2ccc3c(c2)OCO3)O)O	P06213	P12931	5.681936665037238	5.730487055782084	0.048550390744845906	Different Family
[P06213, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	P12931	5.221848749616356	5.337242168318426	0.11539341870206954	Different Family
[P06213, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	P12931	5.275724130399211	5.6020599913279625	0.32633586092875166	Different Family
[P06213, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	P12931	5.356547323513812	5.698970004336019	0.3424226808222066	Different Family
[P06213, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	P12931	5.0655015487564325	5.337242168318426	0.27174061956199314	Different Family
[P06213, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P12931	6.163624385321103	5.3979400086720375	0.7656843766490651	Different Family
[P06213, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P12931	5.585026652029182	5.42021640338319	0.16481024864599192	Different Family
[P06213, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	Q05397	4.568636235841013	4.552841968657781	0.015794267183232513	Different Family
[P06213, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q05397	6.679853713888946	6.853871964321762	0.17401825043281605	Different Family
[P06213, Q05397]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl	P06213	Q05397	7.3979400086720375	8.20726963524575	0.809329626573712	Different Family
[P06213, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	Q05397	4.717076090663241	6.1001574545454496	1.3830813638822086	Different Family
[P06213, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	Q05397	4.366531544420414	5.022276394711152	0.6557448502907386	Different Family
[P06213, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	Q05397	4.356547323513813	4.366531544420414	0.009984220906600783	Different Family
[P06213, Q05397]	COc1ccc(cc1)CNc2ccnc3c2c4ccccc4o3	P06213	Q05397	3.2062096153091812	3.712198270069774	0.5059886547605927	Different Family
[P06213, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P06213	Q05397	4.327902142064283	4.301029995663981	0.026872146400301666	Different Family
[P06213, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	Q05397	6.468521082957745	5.507239610973163	0.9612814719845817	Different Family
[P06213, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	Q05397	5.5376020021010435	5.6777807052660805	0.140178703165037	Different Family
[P06213, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	Q05397	5.853871964321762	5.455931955649724	0.3979400086720375	Different Family
[P06213, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	Q05397	5.356547323513812	5.136677139879544	0.21987018363426802	Different Family
[P06213, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	Q05397	5.585026652029182	5.356547323513812	0.22847932851536967	Different Family
[P06213, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P35968	4.568636235841013	5.356547323513812	0.787911087672799	Different Family
[P06213, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06213	P35968	5.5376020021010435	6.039338878208089	0.5017368761070458	Different Family
[P06213, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P35968	5.376750709602099	5.107905397309519	0.26884531229258	Different Family
[P06213, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	P35968	4.366531544420414	7.508638306165727	3.142106761745313	Different Family
[P06213, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	P35968	4.356547323513813	5.823908740944319	1.4673614174305056	Different Family
[P06213, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P06213	P35968	5.499999678657065	6.049999517423265	0.5499998387662002	Different Family
[P06213, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P06213	P35968	5.300000202445418	6.199998172182031	0.8999979697366136	Different Family
[P06213, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P06213	P35968	5.40000018605658	5.40000018605658	0.0	Different Family
[P06213, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P06213	P35968	5.100000128334196	5.699999204645692	0.5999990763114962	Different Family
[P06213, P35968]	Cc1cc(on1)CNc2ncc(c(n2)Nc3cc([nH]n3)CCCOC)Br	P06213	P35968	5.100000128334196	5.899998417198648	0.7999982888644519	Different Family
[P06213, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P06213	P35968	4.327902142064283	4.823908740944319	0.49600659888003573	Different Family
[P06213, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P35968	6.468521082957745	6.102372908709558	0.36614817424818646	Different Family
[P06213, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P35968	5.5376020021010435	5.920818753952375	0.3832167518513314	Different Family
[P06213, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	P35968	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P06213, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3cc(cnc3)NCCCO	P06213	P35968	5.772113295386326	7.075720713938118	1.3036074185517919	Different Family
[P06213, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	P35968	5.221848749616356	5.301029995663981	0.07918124604762511	Different Family
[P06213, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	P35968	5.275724130399211	6.0	0.7242758696007892	Different Family
[P06213, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P35968	5.807697862331014	6.356547323513812	0.5488494611827983	Different Family
[P06213, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	P35968	5.356547323513812	5.886056647693163	0.5295093241793509	Different Family
[P06213, P35968]	c1cc2c(cc1NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)C=Nc4c(ncnc4Cl)O2	P06213	P35968	5.022276394711152	5.022276394711152	0.0	Different Family
[P06213, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	P35968	5.0655015487564325	5.3872161432802645	0.321714594523832	Different Family
[P06213, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P35968	6.163624385321103	5.1487416512809245	1.014882734040178	Different Family
[P06213, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P35968	5.585026652029182	5.3872161432802645	0.19781050874891726	Different Family
[P06213, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P06213	P35968	5.055517327849832	5.187086643357144	0.13156931550731255	Different Family
[P06213, P24941]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P06213	P24941	4.443697499232712	4.886056647693163	0.44235914846045077	Different Group
[P06213, P24941]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P06213	P24941	4.3872161432802645	4.769551078621726	0.38233493534146135	Different Group
[P06213, P24941]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P24941	4.568636235841013	4.638272163982407	0.06963592814139385	Different Group
[P06213, P24941]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	P06213	P24941	5.657577319177793	8.133803120088515	2.476225800910722	Different Group
[P06213, P24941]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P06213	P24941	5.301029995663981	7.305416957817734	2.0043869621537524	Different Group
[P06213, P24941]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5cc6cc[nH]c6nc5	P06213	P24941	5.889410289700751	6.142667503568732	0.2532572138679807	Different Group
[P06213, P24941]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	P24941	6.698970004336019	5.928117992693875	0.7708520116421438	Different Group
[P06213, P24941]	CNC(=N)SCCCN1C(=O)C2=C(C1=O)N3c4ccccc4CC3c5cccc6c5n2cc6	P06213	P24941	5.292429823902063	5.275724130399211	0.016705693502852448	Different Group
[P06213, P24941]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P06213	P24941	5.200659450546418	5.200659450546418	0.0	Different Group
[P06213, P24941]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P24941	4.717076090663241	5.161150909262744	0.4440748185995034	Different Group
[P06213, P24941]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	P24941	4.356547323513813	4.698970004336019	0.3424226808222057	Different Group
[P06213, P24941]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06213	P24941	5.958607314841775	4.5376020021010435	1.4210053127407312	Different Group
[P06213, P24941]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P06213	P24941	4.327902142064283	4.376750709602099	0.0488485675378163	Different Group
[P06213, P24941]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P24941	5.807697862331014	6.3872161432802645	0.5795182809492507	Different Group
[P06213, P24941]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P06213	P24941	3.8239087409443187	4.657577319177793	0.8336685782334747	Different Group
[P06213, P24941]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P24941	5.585026652029182	5.443697499232713	0.14132915279646863	Different Group
[P06213, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	P11362	7.286308885233723	8.200659450546418	0.9143505653126951	Different Family
[P06213, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	P11362	4.730020323354676	4.90274269030658	0.1727223669519038	Different Family
[P06213, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P06213	P11362	5.499999678657065	5.849998925419548	0.34999924676248373	Different Family
[P06213, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P06213	P11362	5.300000202445418	5.949998492940683	0.6499982904952653	Different Family
[P06213, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P06213	P11362	5.40000018605658	7.150018134498604	1.7500179484420233	Different Family
[P06213, P11362]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P06213	P11362	5.100000128334196	6.9999843876746315	1.8999842593404352	Different Family
[P06213, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P11362	5.209011524911184	5.767003889607846	0.5579923646966618	Different Family
[P06213, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	P11362	6.163624385321103	5.366531544420414	0.7970928409006888	Different Family
[P06213, P08581]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P08581	4.568636235841013	4.5376020021010435	0.031034233739969608	Different Family
[P06213, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cc(ccc5F)c6ccsc6	P06213	P08581	4.927934008585254	5.778846678045295	0.8509126694600413	Different Family
[P06213, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccoc6	P06213	P08581	5.281664421091493	5.979638717352292	0.6979742962607984	Different Family
[P06213, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccsc6	P06213	P08581	5.541815564429737	6.400116927926312	0.858301363496575	Different Family
[P06213, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	P08581	6.698970004336019	6.752026733638194	0.053056729302174865	Different Family
[P06213, P08581]	CNC(=N)SCCCN1C(=O)C2=C(C1=O)N3c4ccccc4CC3c5cccc6c5n2cc6	P06213	P08581	5.292429823902063	5.173925197299174	0.1185046266028893	Different Family
[P06213, P08581]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P06213	P08581	5.200659450546418	5.130768280269024	0.06989117027739411	Different Family
[P06213, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P08581	5.376750709602099	4.6020599913279625	0.7746907182741367	Different Family
[P06213, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P08581	4.717076090663241	4.455931955649724	0.26114413501351663	Different Family
[P06213, P08581]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	P08581	4.356547323513813	4.346787486224656	0.00975983728915697	Different Family
[P06213, P08581]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P06213	P08581	5.3325470471100465	4.986320302708807	0.346226744401239	Different Family
[P06213, P08581]	Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P06213	P08581	7.4089353929735005	8.301029995663981	0.8920946026904808	Different Family
[P06213, P08581]	Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCOCC6)OC	P06213	P08581	6.769551078621726	8.154901959985743	1.3853508813640172	Different Family
[P06213, P08581]	Cn1cc(cn1)c2cccc(c2)S(=O)(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P06213	P08581	5.104190849830869	6.248720896016658	1.144530046185789	Different Family
[P06213, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P08581	6.468521082957745	6.236572006437063	0.23194907652068153	Different Family
[P06213, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P08581	5.5376020021010435	5.958607314841775	0.42100531274073116	Different Family
[P06213, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	P08581	5.853871964321762	6.096910013008056	0.24303804868629442	Different Family
[P06213, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	P08581	5.221848749616356	5.2441251443275085	0.022276394711152392	Different Family
[P06213, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	P08581	5.275724130399211	5.366531544420414	0.09080741402120296	Different Family
[P06213, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	P08581	5.356547323513812	5.552841968657781	0.19629464514396844	Different Family
[P06213, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	P08581	5.0655015487564325	5.292429823902063	0.22692827514563074	Different Family
[P06213, P08581]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P08581	5.585026652029182	5.481486060122113	0.10354059190706888	Different Family
[P06213, P08581]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P06213	P08581	5.055517327849832	5.113509274827518	0.05799194697768595	Different Family
[P06213, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	Q02763	4.568636235841013	4.958607314841775	0.38997107900076156	Different Family
[P06213, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	Q02763	7.286308885233723	6.671212799645465	0.6150960855882577	Different Family
[P06213, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	Q02763	5.376750709602099	7.365243527891042	1.9884928182889432	Different Family
[P06213, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	Q02763	4.717076090663241	5.841805124463402	1.1247290338001612	Different Family
[P06213, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	Q02763	4.366531544420414	5.2839966563652006	0.9174651119447867	Different Family
[P06213, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	Q02763	4.356547323513813	5.769551078621726	1.4130037551079129	Different Family
[P06213, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	Q02763	6.468521082957745	6.585026652029182	0.11650556907143717	Different Family
[P06213, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	Q02763	5.5376020021010435	6.096910013008056	0.5593080109070128	Different Family
[P06213, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	Q02763	5.853871964321762	6.221848749616356	0.3679767852945943	Different Family
[P06213, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	Q02763	5.356547323513812	5.7447274948966935	0.3881801713828814	Different Family
[P06213, Q9UM73]	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.987162775294828	9.229147988357855	2.2419852130630273	Different Group
[P06213, Q9UM73]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P06213	Q9UM73	8.665546248849068	8.79860287567955	0.1330566268304807	Different Group
[P06213, Q9UM73]	CC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P06213	Q9UM73	9.05551732784983	9.102372908709558	0.0468555808597273	Different Group
[P06213, Q9UM73]	CC(C)Oc1c(cnc(n1)C2CCNCC2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.248720896016658	7.438898616350944	1.1901777203342858	Different Group
[P06213, Q9UM73]	CC(C)Oc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P06213	Q9UM73	6.154901959985743	9.167491087293763	3.0125891273080203	Different Group
[P06213, Q9UM73]	CC(C)Oc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C(C)C)Cl)C4CCNCC4	P06213	Q9UM73	6.550059011226662	7.97469413473523	1.4246351235085672	Different Group
[P06213, Q9UM73]	CC(C)Oc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P06213	Q9UM73	6.382999658879101	7.605548319173784	1.2225486602946827	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)C(=O)NCCC4)Cl	P06213	Q9UM73	7.6020599913279625	8.545757490560675	0.9436974992327123	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CC(=O)NCC4)Cl	P06213	Q9UM73	7.958607314841775	8.05395269865476	0.09534538381298496	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CCCNC4)Cl	P06213	Q9UM73	8.292429823902063	8.632200550150909	0.33977072624884563	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CCCNC4=O)Cl	P06213	Q9UM73	7.6777807052660805	8.138683038733094	0.46090233346701304	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CCNCC4)Cl	P06213	Q9UM73	8.698970004336019	8.770303756120384	0.07133375178436552	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CNCCC4)Cl	P06213	Q9UM73	8.2839966563652	8.669093657231368	0.3850970008661676	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)OCCNC4)Cl	P06213	Q9UM73	7.920818753952375	8.530240373690692	0.6094216197383169	Different Group
[P06213, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P06213	Q9UM73	8.00436480540245	9.508638306165727	1.5042735007632775	Different Group
[P06213, Q9UM73]	CC(COC)Nc1cc(ccc1C(=O)Nc2c3cc(ccc3[nH]n2)Cc4cc(cc(c4)F)F)N5CCN(CC5)C	P06213	Q9UM73	5.971022294791222	7.142667503568732	1.1716452087775098	Different Group
[P06213, Q9UM73]	CC(c1ccc2c(c1)c(n[nH]2)NC(=O)c3ccc(cc3NC4CCOCC4)N5CCN(CC5)C)c6cc(cc(c6)F)F	P06213	Q9UM73	6.328979240549154	7.475197193702513	1.146217953153359	Different Group
[P06213, Q9UM73]	CC(c1ccccc1)N2CCc3c4cc(ccc4[nH]c3-c5c2ccnc5Cl)Br	P06213	Q9UM73	4.924453038607469	5.236572006437063	0.31211896782959414	Different Group
[P06213, Q9UM73]	CC(c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl)O	P06213	Q9UM73	7.364516253185088	9.00436480540245	1.6398485522173614	Different Group
[P06213, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	Q9UM73	7.286308885233723	7.948515197953478	0.6622063127197553	Different Group
[P06213, Q9UM73]	CCN1CCC(CC1)c2cc(c(cc2C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)C)OC(C)C	P06213	Q9UM73	6.396855627379818	7.531652669587842	1.1347970422080245	Different Group
[P06213, Q9UM73]	CCN1CCC(CC1)c2cc(c(cc2C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC(C)C	P06213	Q9UM73	6.462810773756355	7.493494967595128	1.0306841938387725	Different Group
[P06213, Q9UM73]	CCOc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCN(CC5)C	P06213	Q9UM73	6.5968794788241825	9.1249387366083	2.5280592577841174	Different Group
[P06213, Q9UM73]	CCP(=O)(CC)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	P06213	Q9UM73	6.503070351926785	9.920818753952375	3.41774840202559	Different Group
[P06213, Q9UM73]	CN(C)C1CCN(C1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.31069114087638	9.481486060122112	3.170794919245732	Different Group
[P06213, Q9UM73]	CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	7.0	9.681255135243745	2.6812551352437453	Different Group
[P06213, Q9UM73]	CN(C)CCN(C)C(=O)c1ccc(c(c1)NC2CCOCC2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	6.34008379993015	7.823908740944319	1.483824941014169	Different Group
[P06213, Q9UM73]	CN1CCC(C1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.401209493236885	9.481486060122112	3.080276566885227	Different Group
[P06213, Q9UM73]	CN1CCC(CC1)N2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P06213	Q9UM73	6.54515513999149	9.55284196865778	3.007686828666291	Different Group
[P06213, Q9UM73]	CN1CCC(CC1)Nc2cc(ccc2C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F)N6CCN(CC6)C	P06213	Q9UM73	6.481486060122113	7.823908740944319	1.3424226808222057	Different Group
[P06213, Q9UM73]	CN1CCC(CC1)Oc2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	6.707743928643524	8.045757490560675	1.3380135619171512	Different Group
[P06213, Q9UM73]	CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.464705879957229	9.267606240177031	2.8029003602198017	Different Group
[P06213, Q9UM73]	CN1CCC(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	7.242603971206976	9.42021640338319	2.177612432176214	Different Group
[P06213, Q9UM73]	CN1CCCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P06213	Q9UM73	6.790484985457369	9.309803919971486	2.519318934514117	Different Group
[P06213, Q9UM73]	CN1CCCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.4698003017969175	9.142667503568731	2.6728672017718136	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3cc(c(cc3F)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl)OC	P06213	Q9UM73	5.928486194904911	8.987162775294827	3.058676580389916	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5)Cl	P06213	Q9UM73	7.087777943467585	8.00436480540245	0.9165868619348645	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C#N)Cl	P06213	Q9UM73	6.892790030352131	8.730487055782083	1.8376970254299518	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N(C)C)Cl	P06213	Q9UM73	8.21824462534753	8.321481620959887	0.103236995612356	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5C(=O)N)Cl	P06213	Q9UM73	8.468521082957745	9.096910013008056	0.6283889300503116	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5I)Cl	P06213	Q9UM73	7.863279432843593	8.866461091629782	1.0031816587861888	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5OC)Cl	P06213	Q9UM73	7.585026652029182	8.72584215073632	1.1408154987071377	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)C6CC6	P06213	Q9UM73	6.43533393574791	8.490797477668897	2.055463541920987	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P06213	Q9UM73	6.707743928643524	9.431798275933005	2.7240543472894814	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)F	P06213	Q9UM73	5.773915884024176	9.4089353929735	3.6350195089493242	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)OC	P06213	Q9UM73	5.773657912836369	8.924453038607469	3.1507951257710998	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)C)Cl	P06213	Q9UM73	8.292429823902063	9.229147988357855	0.936718164455792	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)N(C)C)Cl	P06213	Q9UM73	8.073657553374344	9.1249387366083	1.0512811832339555	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)N)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	5.885055584287415	7.173925197299173	1.2888696130117578	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC(COC)COC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	5.784626847216578	7.00436480540245	1.2197379581858723	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	6.4370593910149285	7.5043869621537524	1.067327571138824	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	5.417709317281006	6.001796705901862	0.5840873886208557	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	6.679853713888946	7.590228032229065	0.9103743183401196	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(ccc6F)F	P06213	Q9UM73	6.769551078621726	7.42021640338319	0.650665324761464	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cccc(c6)F	P06213	Q9UM73	6.369572124974976	7.522878745280337	1.1533066203053615	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6ccccc6	P06213	Q9UM73	5.827105302247824	6.97469413473523	1.147588832487406	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCC3CN(C3)C)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	6.452225294612178	7.173925197299173	0.7216999026869955	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	5.924453038607469	6.8696662315049934	0.9452131928975245	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCF)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	6.335358024443875	7.853871964321762	1.518513939877887	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCO)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	6.042871802323187	7.585026652029182	1.5421548497059945	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	5.753501419204199	6.531969441695006	0.7784680224908067	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCc3ccccc3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	Q9UM73	5.432503108895777	6.422508200162775	0.9900050912669975	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	7.042871802323187	9.744727494896694	2.701855692573506	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	P06213	Q9UM73	5.743282254022513	6.910353397211313	1.1670711431888003	Different Group
[P06213, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(n3)c(c(cn4)Cl)NC5C6CC(C5C(=O)N)C=C6	P06213	Q9UM73	6.801342913045577	7.9604093769761874	1.1590664639306105	Different Group
[P06213, Q9UM73]	CNC(=O)CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	P06213	Q9UM73	6.338187314462739	8.508638306165727	2.170450991702988	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)P(=O)(C)C	P06213	Q9UM73	7.85078088734462	9.167491087293763	1.316710199949143	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(C4)N5CCCCC5	P06213	Q9UM73	6.568636235841013	9.05551732784983	2.486881092008818	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)CN5CCC5	P06213	Q9UM73	6.886056647693163	9.05551732784983	2.169460680156668	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCCC5	P06213	Q9UM73	7.069050968832477	9.275724130399212	2.2066731615667345	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)N5CCOCC5	P06213	Q9UM73	6.568636235841013	9.309803919971486	2.741167684130473	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCC(CC4)O	P06213	Q9UM73	6.767003889607846	9.443697499232712	2.6766936096248664	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCN(CC4)CCO	P06213	Q9UM73	7.55129368009492	9.744727494896694	2.1934338148017734	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)N4CCOCC4	P06213	Q9UM73	6.399027104313252	9.619788758288394	3.220761653975142	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)OCCCN4CCCC4	P06213	Q9UM73	6.546681659952962	9.657577319177793	3.1108956592248314	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)P(=O)(C)C	P06213	Q9UM73	6.139063379299906	8.97469413473523	2.835630755435324	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3P(=O)(C)C)Cl)c4cnn(c4)C5CCNCC5	P06213	Q9UM73	6.153662887870195	9.119186407719209	2.9655235198490137	Different Group
[P06213, Q9UM73]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C)Cl)P(=O)(C)C	P06213	Q9UM73	8.327902142064282	9.481486060122112	1.15358391805783	Different Group
[P06213, Q9UM73]	COc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NC4C5CC(C4C(=O)N)C=C5)CN6CCOCC6	P06213	Q9UM73	6.458420756053419	7.697886973457765	1.2394662174043454	Different Group
[P06213, Q9UM73]	COc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NC4C5CC(C4C(=O)N)C=C5)N6CCOCC6	P06213	Q9UM73	6.772113295386326	7.77642098432889	1.0043076889425642	Different Group
[P06213, Q9UM73]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NC4C5CC(C4C(=O)N)C=C5	P06213	Q9UM73	5.716925025264528	6.701146923590294	0.9842218983257656	Different Group
[P06213, Q9UM73]	COc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)P(=O)(C)C)Cl	P06213	Q9UM73	7.2580609222708015	9.017728766960431	1.7596678446896297	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C(=O)CN(C)C)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.380906669373258	7.586703473032976	1.2057968036597186	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C(C)C)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.619607839942972	7.52432881167557	0.9047209717325977	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3cc(c(cn3)Cl)Nc4ccccc4S(=O)(=O)C(C)C	P06213	Q9UM73	5.716698771296451	5.372634143407267	0.3440646278891837	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)C	P06213	Q9UM73	6.425621435586917	7.835647144215563	1.4100257086286456	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.333482019445119	7.939302159646388	1.6058201402012688	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)N(C)C)Cl	P06213	Q9UM73	6.4698003017969175	7.6020599913279625	1.132259689531045	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)C3CCN(CC3)C)OC(C)C)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	5.925915310971757	6.587707490676953	0.6617921797051967	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CC(=O)N)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.442372511573173	7.782516055786094	1.3401435442129213	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CC(=O)O)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.049878652488626	7.051098239029786	1.0012195865411595	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CC(F)F)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	5.3121144751512945	6.514704561273911	1.2025900861226164	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CCO)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)C	P06213	Q9UM73	5.784362436564939	7.196542884351586	1.412180447786647	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CCO)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.486116814388907	8.09151498112135	1.6053981667324422	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CCOC)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)C	P06213	Q9UM73	6.3788237182249645	7.356547323513813	0.9777236052888485	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCN(CC2)CCOC)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.45717457304082	7.361510743045363	0.9043361700045427	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCNC(=O)C2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.105683937315561	7.316052869248488	1.2103689319329272	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)C	P06213	Q9UM73	6.266401539038661	7.391473966422806	1.1250724273841453	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C5CCC5)Cl	P06213	Q9UM73	6.705093089394808	7.419075024324381	0.7139819349295733	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1C2CCNCC2)OC3CCC3)Nc4ncc(c(n4)Nc5ccccc5S(=O)(=O)C(C)C)Cl	P06213	Q9UM73	6.292429823902063	7.761953896871205	1.4695240729691417	Different Group
[P06213, Q9UM73]	Cc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	P06213	Q9UM73	6.767003889607846	9.065501548756432	2.2984976591485857	Different Group
[P06213, Q9UM73]	Cc1cc(c-2c(n1)N(CCc3c2[nH]c4c3cccc4)CCc5ccccc5)Cl	P06213	Q9UM73	4.703334809738469	4.928117992693875	0.2247831829554059	Different Group
[P06213, Q9UM73]	Cc1cc2c(c(=O)[nH]1)-c3c(c4ccccc4[nH]3)CCN2CCc5ccccc5	P06213	Q9UM73	4.806875401645539	4.7447274948966935	0.062147906748845294	Different Group
[P06213, Q9UM73]	Cc1cc2c(c(n1)Cl)-c3c(c4ccccc4[nH]3)CCN2CCc5ccccc5	P06213	Q9UM73	4.515700160653214	4.671620396561262	0.15592023590804782	Different Group
[P06213, Q9UM73]	Cc1cc2c(c(n1)OC)-c3c(c4ccc(cc4[nH]3)N5CCN(CC5)C)CCN2CCc6ccccc6	P06213	Q9UM73	5.455931955649724	5.292429823902063	0.16350213174766104	Different Group
[P06213, Q9UM73]	Cc1ccc(cc1Cc2ccc3c(c2)c(n[nH]3)NC(=O)c4ccc(cc4NC5CCOCC5)N6CCN(CC6)C)F	P06213	Q9UM73	6.08460016478773	6.7423214251308154	0.6577212603430853	Different Group
[P06213, Q9UM73]	Cc1cnc(nc1Nc2ccccc2P(=O)(C)C)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	P06213	Q9UM73	6.316052869248488	9.3767507096021	3.060697840353611	Different Group
[P06213, Q9UM73]	Cn1cc(cn1)c2[nH]c3c(n2)c(c(cn3)Cl)NC4C5CC(C4C(=O)N)C=C5	P06213	Q9UM73	5.994390554639719	6.568636235841013	0.5742456812012939	Different Group
[P06213, Q9UM73]	c1c(cn(n1)C2CCNCC2)c3[nH]c4c(n3)c(c(cn4)Cl)NC5C6CC(C5C(=O)N)C=C6	P06213	Q9UM73	6.292429823902063	7.376750709602099	1.084320885700036	Different Group
[P06213, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06213	Q9UM73	5.221848749616356	5.465907069126919	0.24405831951056278	Different Group
[P06213, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06213	Q9UM73	5.275724130399211	5.789198036565084	0.5134739061658733	Different Group
[P06213, Q9UM73]	c1cc(cc(c1)N2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Cl)NC5C6CC(C5C(=O)N)C=C6	P06213	Q9UM73	6.104025267640935	7.070581074285707	0.9665558066447719	Different Group
[P06213, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	Q9UM73	5.807697862331014	6.119186407719209	0.3114885453881948	Different Group
[P06213, Q9UM73]	c1cc(ccc1CCN2CCc3c4cc(ccc4[nH]c3-c5c2nccc5I)Br)O	P06213	Q9UM73	4.954677021213342	5.2076083105017466	0.25293128928840414	Different Group
[P06213, Q9UM73]	c1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Br)NC4C5CC(C4C(=O)N)C=C5)N6CCOCC6	P06213	Q9UM73	7.102372908709558	7.5376020021010435	0.4352290933914853	Different Group
[P06213, Q9UM73]	c1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NC4C5CC(C4C(=O)N)C=C5)N6CCOCC6	P06213	Q9UM73	6.045275209020937	6.91721462968355	0.8719394206626134	Different Group
[P06213, Q9UM73]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)CN6CCCCC6	P06213	Q9UM73	6.185086818724926	7.7447274948966935	1.5596406761717674	Different Group
[P06213, Q9UM73]	c1cc2c(cc1Cc3cc(cc(c3)F)F)c(n[nH]2)NC(=O)c4ccc(cc4NC5CCOCC5)N6CCNCC6	P06213	Q9UM73	7.3872161432802645	8.522878745280337	1.1356626020000729	Different Group
[P06213, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06213	Q9UM73	5.0655015487564325	5.41369853439507	0.3481969856386371	Different Group
[P06213, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P06213	Q9UM73	5.055517327849832	5.200659450546418	0.1451421226965861	Different Group
[P06213, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	P31749	4.730020323354676	4.730954290342377	9.339669877013179E-4	Different Group
[P06213, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P06213, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P31749	5.376750709602099	4.0	1.3767507096020992	Different Group
[P06213, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	P31749	5.209011524911184	5.508638306165727	0.2996267812545428	Different Group
[P06213, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P31749	6.468521082957745	5.476253533188435	0.9922675497693092	Different Group
[P06213, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P31749	5.5376020021010435	5.721246399047171	0.18364439694612766	Different Group
[P06213, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P31749	5.807697862331014	5.154901959985743	0.6527959023452707	Different Group
[P06213, P31749]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P31749	5.585026652029182	5.045757490560675	0.539269161468507	Different Group
[O14965, P06213]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	O14965	4.568636235841013	4.522878745280337	0.045757490560675684	Different Group
[O14965, P06213]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	O14965	7.286308885233723	8.160579629225387	0.8742707439916639	Different Group
[O14965, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	O14965	4.730020323354676	4.522878745280337	0.20714157807433864	Different Group
[O14965, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P06213]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P06213]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06213	O14965	6.698970004336019	6.966576244513051	0.26760624017703183	Different Group
[O14965, P06213]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P06213	O14965	6.679853713888946	6.667561540084395	0.012292173804550721	Different Group
[O14965, P06213]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P06213	O14965	6.0	7.327902142064283	1.327902142064283	Different Group
[O14965, P06213]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	O14965	5.376750709602099	4.6020599913279625	0.7746907182741367	Different Group
[O14965, P06213]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	O14965	4.717076090663241	5.135985522789741	0.4189094321265001	Different Group
[O14965, P06213]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P06213	O14965	4.366531544420414	4.795880017344075	0.4293484729236612	Different Group
[O14965, P06213]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P06213	O14965	4.356547323513813	5.187086643357144	0.8305393198433313	Different Group
[O14965, P06213]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	O14965	5.209011524911184	5.809668301829708	0.600656776918524	Different Group
[O14965, P06213]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P06213	O14965	4.327902142064283	5.494850021680094	1.1669478796158108	Different Group
[O14965, P06213]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	O14965	6.468521082957745	5.605548319173784	0.8629727637839606	Different Group
[O14965, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	O14965	5.5376020021010435	7.0	1.4623979978989565	Different Group
[O14965, P06213]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	O14965	5.853871964321762	5.585026652029182	0.26884531229258	Different Group
[O14965, P06213]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	O14965	5.807697862331014	5.508638306165727	0.2990595561652869	Different Group
[O14965, P06213]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	O14965	5.356547323513812	5.4089353929735005	0.052388069459688325	Different Group
[P06213, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P06213	P54760	4.568636235841013	4.698970004336019	0.13033376849500566	Different Family
[P06213, P54760]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P06213	P54760	7.0	6.161150909262744	0.8388490907372557	Different Family
[P06213, P54760]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06213	P54760	5.5376020021010435	6.537602002101044	1.0000000000000009	Different Family
[P06213, P54760]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P06213	P54760	5.200659450546418	5.4089353929735005	0.20827594242708258	Different Family
[P06213, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	P54760	5.376750709602099	5.080921907623926	0.29582880197817296	Different Family
[P06213, P54760]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P06213	P54760	4.717076090663241	5.044154920623069	0.3270788299598282	Different Family
[P06213, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P06213	P54760	6.468521082957745	5.73754891026957	0.7309721726881744	Different Family
[P06213, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P06213	P54760	5.5376020021010435	5.468521082957745	0.06908091914329884	Different Family
[P06213, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P06213	P54760	5.853871964321762	5.468521082957745	0.3853508813640172	Different Family
[P06213, P54760]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	P54760	5.807697862331014	8.301029995663981	2.4933321333329674	Different Family
[P06213, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P06213	P54760	5.356547323513812	5.113509274827518	0.24303804868629442	Different Family
[P06213, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P06213	P54760	5.585026652029182	5.638272163982407	0.05324551195322513	Different Family
[P06213, Q06187]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P06213	Q06187	7.286308885233723	7.187086643357144	0.09922224187657847	Different Family
[P06213, Q06187]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06213	Q06187	6.799998134593398	6.499996931948306	0.3000012026450918	Different Family
[P06213, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06213	Q06187	4.730020323354676	4.590574131328557	0.13944619202611896	Different Family
[P06213, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06213	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06213	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P06213, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06213	Q06187	5.376750709602099	4.6020599913279625	0.7746907182741367	Different Family
[P06213, Q06187]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06213	Q06187	5.958607314841775	5.3872161432802645	0.5713911715615101	Different Family
[P06213, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06213	Q06187	5.209011524911184	6.022276394711152	0.8132648697999683	Different Family
[P06213, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06213	Q06187	5.807697862331014	6.236572006437063	0.4288741441060493	Different Family
[P06213, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06213	Q06187	6.163624385321103	5.119186407719209	1.044437977601894	Different Family
[O14920, P49137]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	O14920	P49137	5.3979400086720375	5.008773924307505	0.3891660843645326	Different Group
[O14920, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P49137	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O14920	P49137	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O14920	P49137	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O14920	P49137	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P49137]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P49137	4.522878745280337	4.73118809626022	0.20830935097988235	Different Group
[O14920, P49137]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	O14920	P49137	4.136677139879544	4.357266354769971	0.2205892148904267	Different Group
[O14920, P49137]	c1ccc(c(c1)CN2c3ccc(cc3Cc4cc(oc4C2=O)c5ccc(cc5)Cl)N6CCNCC6)c7cccnc7	O14920	P49137	4.619788758288394	7.657577319177793	3.0377885608893997	Different Group
[O14920, P49137]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	O14920	P49137	5.958607314841775	5.173925197299174	0.7846821175426006	Different Group
[O14920, P49137]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	O14920	P49137	4.468521082957745	4.795880017344075	0.32735893438633035	Different Group
[O14920, O15111]	CC(=O)NC(C)(C)CCc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5	O14920	O15111	6.823908740944319	4.522878745280337	2.3010299956639813	Same Family
[O14920, O15111]	CC(C)(C#Cc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5)N	O14920	O15111	6.823908740944319	6.301029995663981	0.5228787452803374	Same Family
[O14920, O15111]	CC(C)(CCc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5)N	O14920	O15111	7.398973915543969	7.522878745280337	0.12390482973636807	Same Family
[O14920, O15111]	CC(C)(CCc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5)O	O14920	O15111	7.300509466670935	6.154901959985743	1.1456075066851916	Same Family
[O14920, O15111]	CCC(CC)(CCc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5)N	O14920	O15111	7.221848749616356	7.522878745280337	0.30102999566398125	Same Family
[O14920, O15111]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	O14920	O15111	6.785156151952302	6.452225294612178	0.3329308573401244	Same Family
[O14920, O15111]	CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)Nc3nccc(n3)c4cc5ccccc5s4	O14920	O15111	7.3979400086720375	6.823908740944319	0.5740312677277188	Same Family
[O14920, O15111]	CN(C)CCCNNS(=O)(=O)c1ccc(cc1)c2cc(cc(c2N)C(=O)N)c3ccccc3	O14920	O15111	6.499996931948306	6.0	0.4999969319483064	Same Family
[O14920, O15111]	CN(C)CCNC(=O)c1ccc(cc1)Nc2nccc(n2)c3cc4ccccc4s3	O14920	O15111	6.698970004336019	5.920818753952375	0.7781512503836439	Same Family
[O14920, O15111]	CN(C)CCNS(=O)(=O)c1ccc(cc1)c2ccnc3c2cc[nH]3	O14920	O15111	6.699991797446187	6.0999990348465305	0.5999927625996566	Same Family
[O14920, O15111]	CN(C)S(=O)(=O)c1ccc(cc1)c2cc(cc(c2O)C(=O)N)c3ccncc3	O14920	O15111	5.100000128334196	5.300000202445418	0.20000007411122134	Same Family
[O14920, O15111]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5cc6cc[nH]c6nc5	O14920	O15111	6.540607512240769	6.481486060122113	0.05912145211865649	Same Family
[O14920, O15111]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	O14920	O15111	6.590066876668706	6.228412519118745	0.3616543575499609	Same Family
[O14920, O15111]	CNCCNS(=O)(=O)c1ccc(cc1)c2ccnc3c2cc[nH]3	O14920	O15111	7.495014810731788	6.499996931948306	0.9950178787834814	Same Family
[O14920, O15111]	CNS(=O)(=O)c1ccc(cc1)c2cc(cc(c2O)C(=O)N)c3ccccc3	O14920	O15111	6.0	5.700000503883016	0.2999994961169836	Same Family
[O14920, O15111]	CNc1c2c(c3cc4ccccc4cc3n1)n(cn2)C	O14920	O15111	6.022276394711152	6.00436480540245	0.01791158930870207	Same Family
[O14920, O15111]	COCCCNNS(=O)(=O)c1ccc(cc1)c2cc(cc(c2N)C(=O)N)c3ccccc3	O14920	O15111	6.599997654072044	6.0999990348465305	0.49999861922551325	Same Family
[O14920, O15111]	COCCCc1ccc(s1)c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)N5CCCC5	O14920	O15111	7.0	6.0	1.0	Same Family
[O14920, O15111]	COc1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4nccc(n4)c5cc6ccccc6s5	O14920	O15111	7.300509466670935	7.0	0.3005094666709347	Same Family
[O14920, O15111]	CS(=O)(=O)Nc1ccc(cc1)Nc2nccc(n2)c3ccc(cc3)S(=O)(=O)N4CCNCC4	O14920	O15111	7.36997914888659	6.480172006224281	0.8898071426623089	Same Family
[O14920, O15111]	CS(=O)(=O)Nc1ccc(cc1)c2cc(cc(c2N)C(=O)N)c3ccc(cc3)Cl	O14920	O15111	5.800000874803203	5.200000237109354	0.6000006376938494	Same Family
[O14920, O15111]	CS(=O)(=O)Nc1ccc(cc1)c2cc(cc(c2N)C(=O)N)c3ccccc3	O14920	O15111	5.800000874803203	4.900000142057633	0.9000007327455704	Same Family
[O14920, O15111]	CS(=O)(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3	O14920	O15111	6.799998134593398	6.0999990348465305	0.6999990997468677	Same Family
[O14920, O15111]	CS(=O)(=O)Nc1cccc(c1)c2cc(cc(c2N)C(=O)N)c3ccccc3	O14920	O15111	5.100000128334196	5.0	0.10000012833419625	Same Family
[O14920, O15111]	CS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3ccc(cc3)S(=O)(=O)N4CCNCC4	O14920	O15111	7.510041520575165	5.92009553233328	1.5899459882418858	Same Family
[O14920, O15111]	CS(=O)(=O)c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N	O14920	O15111	6.799998134593398	5.700000503883016	1.0999976307103818	Same Family
[O14920, O15111]	CS(=O)(=O)c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N4CCCC4	O14920	O15111	6.399996913372259	5.300000202445418	1.0999967109268418	Same Family
[O14920, O15111]	Cc1cc(nc2c1c(c(s2)C(=O)N)N)C	O14920	O15111	5.657577319177793	5.552841968657781	0.10473535052001282	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)N(C)S(=O)(=O)C	O14920	O15111	6.499996931948306	5.100000128334196	1.3999968036141102	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)NS(=O)(=O)C	O14920	O15111	7.199970640755866	5.40000018605658	1.7999704546992854	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)NS(=O)(=O)CCN	O14920	O15111	7.79997073344623	6.900008766455316	0.8999619669909142	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)N(C)C4CCS(=O)(=O)CC4	O14920	O15111	7.400007822415902	6.0	1.400007822415902	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4	O14920	O15111	7.700057099977233	7.899974269892137	0.1999171699149045	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NCCN	O14920	O15111	7.700057099977233	6.900008766455316	0.8000483335219171	Same Family
[O14920, O15111]	Cc1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NCCO	O14920	O15111	7.700057099977233	6.499996931948306	1.2000601680289265	Same Family
[O14920, O15111]	c1cc(c(cc1Cl)F)CN2CCCC(C2)n3cc-4c(n3)CCc5c4sc(c5C(=O)N)NC(=O)N	O14920	O15111	6.301029995663981	4.3872161432802645	1.9138138523837167	Same Family
[O14920, O15111]	c1cc(c(cc1N)F)CN2CCCC(C2)n3cc-4c(n3)CCc5c4sc(c5C(=O)N)NC(=O)N	O14920	O15111	6.301029995663981	5.045757490560675	1.2552725051033065	Same Family
[O14920, O15111]	c1cc(cc(c1)S(=O)(=O)N)c2ccnc3c2cc[nH]3	O14920	O15111	5.300000202445418	5.899998417198648	0.5999982147532306	Same Family
[O14920, O15111]	c1cc(ccc1C#N)Nc2nccc(n2)c3ccc(cc3)S(=O)(=O)N4CCNCC4	O14920	O15111	7.360015751958412	5.419987887470576	1.9400278644878357	Same Family
[O14920, O15111]	c1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4nccc(n4)c5ccc(s5)CCCCO	O14920	O15111	7.601020178131402	6.301029995663981	1.299990182467421	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N)F	O14920	O15111	6.699991797446187	6.299997602857746	0.3999941945884409	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N4CCCC4)F	O14920	O15111	6.199998172182031	5.59999938302362	0.5999987891584109	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(c(c(c2)C(=O)N)N)c3ccncc3)F	O14920	O15111	5.800000874803203	5.300000202445418	0.5000006723577854	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(c(s2)C(=O)N)N)F	O14920	O15111	5.4430283238465815	4.619788758288394	0.8232395655581879	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(cc(c2N)C(=O)N)c3ccc(cc3)Cl)S(=O)(=O)N	O14920	O15111	7.0	6.399996913372259	0.6000030866277406	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(cc(c2N)C(=O)N)c3ccncc3)S(=O)(=O)N	O14920	O15111	6.599997654072044	7.100015437450609	0.5000177833785653	Same Family
[O14920, O15111]	c1cc(ccc1c2cc(cc(c2O)C(=O)N)c3ccc(cc3)Cl)S(=O)(=O)N	O14920	O15111	5.800000874803203	5.700000503883016	0.10000037092018665	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N)S(=O)(=O)N4CCNCC4	O14920	O15111	7.320027305722581	5.400007822415902	1.920019483306679	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F)S(=O)(=O)N4CCNCC4	O14920	O15111	6.2900011719748115	5.400007822415902	0.8899933495589094	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)N)S(=O)(=O)N4CCNCC4	O14920	O15111	7.96018944585165	6.610833915635467	1.3493555302161822	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc([nH]3)CC(=O)N)S(=O)(=O)NCCN	O14920	O15111	7.700057099977233	6.799998134593398	0.9000589653838347	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)C(=O)N	O14920	O15111	6.199998172182031	6.399996913372259	0.1999987411902282	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)S(=O)(=O)N	O14920	O15111	6.499996931948306	6.799998134593398	0.3000012026450918	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)S(=O)(=O)N4CCCC4	O14920	O15111	6.599997654072044	5.899998417198648	0.6999992368733956	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)S(=O)(=O)NC4CCS(=O)(=O)CC4	O14920	O15111	7.100015437450609	7.299988937677887	0.19997350022727822	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)S(=O)(=O)NC4CNC4	O14920	O15111	7.400007822415902	7.50003813440381	0.1000303119879078	Same Family
[O14920, O15111]	c1cc(ccc1c2ccnc3c2cc[nH]3)S(=O)(=O)NCCN	O14920	O15111	7.400007822415902	6.599997654072044	0.8000101683438583	Same Family
[O14920, O15111]	c1cc2c(c(sc2nc1)C(=O)N)N	O14920	O15111	5.130768280269024	4.6777807052660805	0.4529875750029433	Same Family
[O14920, O15111]	c1ccc(c(c1)c2cc(c(c(n2)N)C#N)C3CCCNC3)O	O14920	O15111	7.323863811628176	6.1938200260161125	1.130043785612063	Same Family
[O14920, O15111]	c1ccc(c(c1)c2cc(c(c(n2)N)C#N)c3cccc(c3)NC(=O)CCN4CCCCC4)O	O14920	O15111	6.221848749616356	4.698970004336019	1.5228787452803374	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)CS(=O)(=O)N	O14920	O15111	5.40000018605658	5.100000128334196	0.30000005772238403	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N	O14920	O15111	6.599997654072044	6.0	0.5999976540720438	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)NNC4CC4	O14920	O15111	6.499996931948306	6.0	0.4999969319483064	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)NNCCCN4CCOCC4	O14920	O15111	6.499996931948306	6.0	0.4999969319483064	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)NNCCN	O14920	O15111	6.799998134593398	6.199998172182031	0.599999962411367	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)NNCCN4CCCC4	O14920	O15111	6.599997654072044	6.0999990348465305	0.49999861922551325	Same Family
[O14920, O15111]	c1ccc(cc1)c2cc(cc(c2N)C(=O)N)c3ccncc3	O14920	O15111	5.40000018605658	5.499999678657065	0.09999949260048435	Same Family
[O14920, O15111]	c1ccc(cc1)c2ccnc3c2cc[nH]3	O14920	O15111	5.499999678657065	5.40000018605658	0.09999949260048435	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(c(c4)Cl)C(=O)N5CCC(CC5)N6CCCC6	O14920	O15111	7.045757490560675	6.3979400086720375	0.6478174818886373	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6	O14920	O15111	7.398973915543969	6.698970004336019	0.7000039112079506	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCCC5	O14920	O15111	6.045757490560675	5.42021640338319	0.6255410871774849	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)NCCN	O14920	O15111	6.221848749616356	5.431798275933005	0.7900504736833511	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)NCCN5CCCC5	O14920	O15111	6.3979400086720375	5.920818753952375	0.4771212547196626	Same Family
[O14920, O15111]	c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)O	O14920	O15111	6.221848749616356	5.301029995663981	0.9208187539523749	Same Family
[O14920, P28482]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	O14920	P28482	5.3979400086720375	4.568636235841013	0.8293037728310244	Different Group
[O14920, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O14920	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O14920	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O14920	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	O14920	P28482	6.590066876668706	5.201349354554731	1.388717522113975	Different Group
[O14920, P28482]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	O14920	P28482	4.762959208620809	5.671620396561262	0.9086611879404529	Different Group
[O14920, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P28482]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	O14920	P28482	4.142667503568732	4.886056647693163	0.7433891441244311	Different Group
[O14920, P28482]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	O14920	P28482	5.958607314841775	5.3979400086720375	0.5606673061697371	Different Group
[O14920, P28482]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	O14920	P28482	4.468521082957745	4.698970004336019	0.2304489213782741	Different Group
[O14920, P31749]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	O14920	P31749	5.3979400086720375	5.585026652029182	0.1870866433571443	Different Group
[O14920, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O14920	P31749	4.522878745280337	4.730954290342377	0.20807554506203996	Different Group
[O14920, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O14920	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O14920	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[O14920, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14920	P31749	4.522878745280337	5.508638306165727	0.9857595608853895	Different Group
[O14920, P31749]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	O14920	P31749	4.142667503568732	6.107905397309519	1.9652378937407873	Different Group
[O14920, P31749]	c1ccc(c(c1)CN2c3ccc(cc3Cc4cc(oc4C2=O)c5ccc(cc5)Cl)N6CCNCC6)c7cccnc7	O14920	P31749	4.619788758288394	4.795880017344075	0.17609125905568135	Different Group
[O14920, P31749]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	O14920	P31749	5.958607314841775	7.698970004336019	1.740362689494244	Different Group
[O14920, P31749]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	O14920	P31749	4.468521082957745	5.443697499232713	0.9751764162749685	Different Group
[P00533, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	P00533	9.221848749616356	6.998856140607032	2.2229926090093244	Different Family
[P00533, P16234]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P16234	P00533	6.050609993355088	5.453704164878557	0.5969058284765305	Different Family
[P00533, P16234]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P16234	P00533	5.444180316938809	9.698970004336019	4.25478968739721	Different Family
[P00533, P16234]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P16234	P00533	5.0	5.586700235918748	0.5867002359187481	Different Family
[P00533, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P00533	5.943095148663527	6.045757490560675	0.10266234189714751	Different Family
[P00533, P16234]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P00533	8.886056647693163	6.133122185662502	2.7529344620306615	Different Family
[P00533, P16234]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P00533	7.301029995663981	7.823908740944319	0.5228787452803374	Different Family
[P00533, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P16234	P00533	8.00436480540245	6.7447274948966935	1.259637310505756	Different Family
[P00533, P16234]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P16234	P00533	6.045757490560675	5.638272163982407	0.40748532657826786	Different Family
[P00533, P16234]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P16234	P00533	5.494850021680094	5.585026652029182	0.09017663034908807	Different Family
[P00533, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P00533	6.096910013008056	5.2839966563652006	0.8129133566428557	Different Family
[P00533, P16234]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P16234	P00533	5.393618634889395	4.0	1.3936186348893953	Different Family
[P07949, P16234]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P16234	P07949	5.275724130399211	5.221848749616356	0.0538753807828547	Different Family
[P07949, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P16234	P07949	7.221848749616356	6.522878745280337	0.6989700043360187	Different Family
[P07949, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P16234	P07949	6.6020599913279625	7.267606240177032	0.6655462488490693	Different Family
[P07949, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P16234	P07949	7.508638306165727	7.136677139879544	0.3719611662861828	Different Family
[P07949, P16234]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P07949	7.040958607678906	7.6020599913279625	0.5611013836490564	Different Family
[P07949, P16234]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P16234	P07949	6.431798275933005	6.006123085058789	0.425675190874216	Different Family
[P07949, P16234]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P16234	P07949	6.609064892896621	8.301029995663981	1.6919651027673606	Different Family
[P07949, P16234]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P16234	P07949	5.769551078621726	6.823908740944319	1.0543576623225928	Different Family
[P07949, P16234]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P16234	P07949	6.39577394691553	8.389423339022647	1.993649392107117	Different Family
[P07949, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	P07949	9.221848749616356	8.497903821870143	0.7239449277462136	Different Family
[P07949, P16234]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	P16234	P07949	6.0195421077238995	6.79317412396815	0.7736320162442505	Different Family
[P07949, P16234]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P16234	P07949	6.823908740944319	7.180456064458132	0.356547323513813	Different Family
[P07949, P16234]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P16234	P07949	6.172630726946175	8.154901959985743	1.982271233039568	Different Family
[P07949, P16234]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P16234	P07949	7.886056647693163	8.301029995663981	0.4149733479708182	Different Family
[P07949, P16234]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P07949	7.221848749616356	8.221848749616356	1.0	Different Family
[P07949, P16234]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P16234	P07949	5.892790030352131	9.0	3.1072099696478688	Different Family
[P07949, P16234]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P16234	P07949	6.920818753952375	8.397940008672037	1.4771212547196626	Different Family
[P07949, P16234]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P07949	6.823908740944319	7.6020599913279625	0.7781512503836439	Different Family
[P07949, P16234]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P16234	P07949	7.707743928643524	7.642065152999546	0.06567877564397762	Different Family
[P07949, P16234]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P16234	P07949	6.9714287473074625	6.777023550106609	0.19440519720085359	Different Family
[P07949, P16234]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P07949	6.267606240177032	7.1249387366083	0.8573324964312681	Different Family
[P07949, P16234]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P16234	P07949	6.698970004336019	6.769551078621726	0.07058107428570715	Different Family
[P07949, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P07949	5.943095148663527	6.017728766960431	0.07463361829690385	Different Family
[P07949, P16234]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P16234	P07949	6.182434630440219	7.958607314841775	1.7761726844015557	Different Family
[P07949, P16234]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P07949	8.886056647693163	9.698970004336019	0.8129133566428557	Different Family
[P07949, P16234]	Cc1ccc(cc1NC(=O)c2cc(nn2C)C)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P16234	P07949	8.366531544420413	7.7447274948966935	0.6218040495237194	Different Family
[P07949, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P16234	P07949	8.00436480540245	6.363512103646634	1.640852701755815	Different Family
[P07949, P16234]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P16234	P07949	6.045757490560675	8.096910013008056	2.0511525224473814	Different Family
[P07949, P16234]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P07949	7.337242168318426	6.853871964321762	0.48337020399666386	Different Family
[P07949, P16234]	c1cc2c(ccn2C(=O)Nc3cc(on3)C4CC4)cc1Oc5c6c(ncn5)CNC6	P16234	P07949	6.823908740944319	6.301029995663981	0.5228787452803374	Different Family
[P07949, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P07949	6.096910013008056	5.481486060122113	0.6154239528859433	Different Family
[P07949, P16234]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P16234	P07949	6.26074419673149	7.694648630553377	1.433904433821887	Different Family
[P06239, P16234]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P16234	P06239	5.275724130399211	5.050609993355088	0.2251141370441232	Different Family
[P06239, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P16234	P06239	7.221848749616356	6.443697499232713	0.778151250383643	Different Family
[P06239, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P16234	P06239	6.6020599913279625	5.218244625347531	1.383815365980431	Different Family
[P06239, P16234]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P16234	P06239	7.508638306165727	6.0	1.508638306165727	Different Family
[P06239, P16234]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P06239	7.040958607678906	6.481486060122113	0.5594725475567932	Different Family
[P06239, P16234]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P16234	P06239	5.769551078621726	5.958607314841775	0.18905623622004875	Different Family
[P06239, P16234]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P16234	P06239	7.886056647693163	8.154901959985743	0.26884531229258	Different Family
[P06239, P16234]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P06239	7.221848749616356	7.301029995663981	0.07918124604762511	Different Family
[P06239, P16234]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P16234	P06239	7.346787486224656	7.0	0.34678748622465605	Different Family
[P06239, P16234]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P16234	P06239	6.920818753952375	6.853871964321762	0.06694678963061307	Different Family
[P06239, P16234]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P06239	6.823908740944319	6.920818753952375	0.09691001300805624	Different Family
[P06239, P16234]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P06239	6.267606240177032	6.4089353929735005	0.14132915279646863	Different Family
[P06239, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P06239	5.943095148663527	6.212221349969987	0.2691262013064595	Different Family
[P06239, P16234]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P16234	P06239	6.182434630440219	6.711541522017397	0.5291068915771779	Different Family
[P06239, P16234]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P06239	7.301029995663981	7.161150909262744	0.13987908640123692	Different Family
[P06239, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P16234	P06239	7.585695311871668	4.95663772197887	2.629057589892798	Different Family
[P06239, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P16234	P06239	8.086186147616283	5.839231438138872	2.2469547094774116	Different Family
[P06239, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P06239	7.1487416512809245	6.9657727392294495	0.18296891205147503	Different Family
[P06239, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P16234	P06239	7.076393356982541	4.350470434052181	2.7259229229303594	Different Family
[P06239, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P16234	P06239	8.00436480540245	9.397940008672037	1.393575203269588	Different Family
[P06239, P16234]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P16234	P06239	9.0	8.154901959985743	0.8450980400142569	Different Family
[P06239, P16234]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P16234	P06239	6.045757490560675	6.161150909262744	0.11539341870206954	Different Family
[P06239, P16234]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P06239	7.337242168318426	6.7447274948966935	0.5925146734217321	Different Family
[P06239, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P16234	P06239	8.920818753952375	8.481486060122112	0.43933269383026285	Different Family
[P06239, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P06239	6.096910013008056	5.251811972993799	0.8450980400142569	Different Family
[P12931, P16234]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P16234	P12931	6.609064892896621	7.431798275933005	0.8227333830363843	Different Family
[P12931, P16234]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P16234	P12931	6.39577394691553	7.122628654130226	0.726854707214696	Different Family
[P12931, P16234]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P16234	P12931	5.444180316938809	5.7617029321246065	0.3175226151857977	Different Family
[P12931, P16234]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P16234	P12931	7.346787486224656	6.732828271596986	0.6139592146276698	Different Family
[P12931, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P12931	5.943095148663527	5.771086594005312	0.1720085546582153	Different Family
[P12931, P16234]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P12931	8.886056647693163	8.397940008672037	0.48811663902112556	Different Family
[P12931, P16234]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P12931	7.301029995663981	7.3979400086720375	0.09691001300805624	Different Family
[P12931, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P16234	P12931	8.00436480540245	9.41195437047216	1.40758956506971	Different Family
[P12931, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P16234	P12931	8.920818753952375	8.102372908709558	0.8184458452428167	Different Family
[P12931, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P12931	6.096910013008056	5.3979400086720375	0.6989700043360187	Different Family
[P16234, P35968]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	8.045757490560675	8.096910013008056	0.05115252244738144	Different Family
[P16234, P35968]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	8.154901959985743	8.045757490560675	0.10914446942506828	Different Family
[P16234, P35968]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	8.096910013008056	7.920818753952375	0.17609125905568135	Different Family
[P16234, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P16234	P35968	7.221848749616356	6.494850021680094	0.7269987279362624	Different Family
[P16234, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P16234	P35968	6.6020599913279625	6.6777807052660805	0.07572071393811797	Different Family
[P16234, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P16234	P35968	7.508638306165727	7.221848749616356	0.28678955654937077	Different Family
[P16234, P35968]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P35968	7.040958607678906	8.154901959985743	1.113943352306837	Different Family
[P16234, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P16234	P35968	6.431798275933005	5.609418121449565	0.8223801544834402	Different Family
[P16234, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P16234	P35968	6.609064892896621	8.397940008672037	1.7888751157754168	Different Family
[P16234, P35968]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P16234	P35968	5.769551078621726	6.045757490560675	0.2762064119389489	Different Family
[P16234, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P16234	P35968	6.106904333903771	8.110924374808178	2.0040200409044067	Different Family
[P16234, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P16234	P35968	6.39577394691553	6.982966660701219	0.5871927137856892	Different Family
[P16234, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Br	P16234	P35968	5.638272163982407	5.366531544420414	0.27174061956199314	Different Family
[P16234, P35968]	CC1CC(CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC)Cl	P16234	P35968	5.853871964321762	4.031517051446065	1.8223549128756966	Different Family
[P16234, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P16234	P35968	9.619788758288394	9.309803919971486	0.3099848383169075	Different Family
[P16234, P35968]	CC1CC=CC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)OC	P16234	P35968	6.7035786584344494	6.38812227317138	0.3154563852630696	Different Family
[P16234, P35968]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P16234	P35968	6.4089353929735005	6.161150909262744	0.24778448371075612	Different Family
[P16234, P35968]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P16234	P35968	6.823908740944319	8.571333751784366	1.7474250108400469	Different Family
[P16234, P35968]	CCCCCCCCCCCCN1C(=O)c2cccc3c2c(ccc3NCCNCCN(C)C)C1=O	P16234	P35968	4.5821962773601195	4.558461961297839	0.02373431606228049	Different Family
[P16234, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P16234	P35968	6.172630726946175	7.619788758288394	1.4471580313422185	Different Family
[P16234, P35968]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	7.698970004336019	7.214670164989233	0.4842998393467859	Different Family
[P16234, P35968]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	7.958607314841775	7.619788758288394	0.338818556553381	Different Family
[P16234, P35968]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P16234	P35968	7.920818753952375	7.638272163982407	0.28254658996996795	Different Family
[P16234, P35968]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P35968	7.552841968657781	7.1938200260161125	0.3590219426416681	Different Family
[P16234, P35968]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P16234	P35968	8.096910013008056	8.221848749616356	0.1249387366082999	Different Family
[P16234, P35968]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P16234	P35968	7.886056647693163	8.522878745280337	0.6368220975871743	Different Family
[P16234, P35968]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P35968	7.221848749616356	8.221848749616356	1.0	Different Family
[P16234, P35968]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P16234	P35968	6.785156151952302	7.080921907623926	0.2957657556716242	Different Family
[P16234, P35968]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P16234	P35968	5.0	4.679853713888946	0.3201462861110542	Different Family
[P16234, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P16234	P35968	5.892790030352131	7.6777807052660805	1.7849906749139492	Different Family
[P16234, P35968]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P16234	P35968	7.267606240177032	7.443697499232713	0.17609125905568135	Different Family
[P16234, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)NC4CCCCC4	P16234	P35968	8.154901959985743	6.0	2.154901959985743	Different Family
[P16234, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P16234	P35968	7.5638373529592435	7.813326132500255	0.24948877954101167	Different Family
[P16234, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P16234	P35968	7.803271277376713	7.152365655681745	0.6509056216949682	Different Family
[P16234, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P16234	P35968	6.673050005834001	6.677367288307777	0.004317282473776274	Different Family
[P16234, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P16234	P35968	6.920818753952375	8.096910013008056	1.1760912590556813	Different Family
[P16234, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P35968	6.823908740944319	8.301029995663981	1.4771212547196626	Different Family
[P16234, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P16234	P35968	7.707743928643524	8.920818753952375	1.2130748253088512	Different Family
[P16234, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P16234	P35968	6.9714287473074625	9.301029995663981	2.3296012483565187	Different Family
[P16234, P35968]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	P35968	6.267606240177032	7.795880017344075	1.5282737771670432	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P16234	P35968	6.982966660701219	7.142667503568732	0.15970084286751263	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4ccc(cc4)SC	P16234	P35968	7.026872146400302	7.292429823902063	0.2655576775017616	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Br	P16234	P35968	7.013228265733755	7.1938200260161125	0.18059176028235768	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P16234	P35968	7.070581074285707	7.6020599913279625	0.5314789170422554	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)F	P16234	P35968	6.886056647693163	7.107905397309519	0.22184874961635614	Different Family
[P16234, P35968]	Cc1c2ccc(cc2nn1C)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P16234	P35968	7.017728766960432	7.42021640338319	0.40248763642275787	Different Family
[P16234, P35968]	Cc1cc([nH]c1C=C2c3cc(ccc3NC2=O)C(=O)NCCCSC)C	P16234	P35968	7.928117992693875	7.42021640338319	0.5079015893106851	Different Family
[P16234, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P35968	5.943095148663527	5.375717904164332	0.5673772444991956	Different Family
[P16234, P35968]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C)C	P16234	P35968	7.2839966563652006	7.6777807052660805	0.3937840489008799	Different Family
[P16234, P35968]	Cc1cc(cc(c1)Nc2nccc(n2)N(C)c3ccc4cn(nc4c3)C)C	P16234	P35968	7.1249387366083	7.552841968657781	0.42790323204948066	Different Family
[P16234, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P16234	P35968	7.920818753952375	8.98052465851433	1.0597059045619552	Different Family
[P16234, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P16234	P35968	6.182434630440219	5.795880017344075	0.3865546130961439	Different Family
[P16234, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P35968	8.886056647693163	8.638272163982407	0.24778448371075612	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nc(cc(n2)c3cccnc3)C)NC(=O)c4ccc(cc4)NC(=O)C=C	P16234	P35968	5.992679047077256	5.522878745280337	0.46980030179691834	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)NC(=O)C=CCN(C)C	P16234	P35968	8.229147988357855	5.0915149811213505	3.137633007236505	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)NC(=O)CCl	P16234	P35968	9.136677139879545	5.6777807052660805	3.4588964346134645	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=C	P16234	P35968	8.657577319177793	5.522878745280337	3.134698573897456	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)NC(=O)C=CCN(C)C	P16234	P35968	8.853871964321762	5.346787486224656	3.5070844780971058	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CNC(=O)C=C	P16234	P35968	7.525783735923745	5.0	2.5257837359237447	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NS(=O)(=O)C=C	P16234	P35968	7.72584215073632	5.657577319177793	2.068264831558527	Different Family
[P16234, P35968]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc5c(c4)CCN(C5)C(=O)C=C	P16234	P35968	8.102372908709558	5.0	3.102372908709558	Different Family
[P16234, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P16234	P35968	7.1487416512809245	7.97325923198876	0.8245175807078358	Different Family
[P16234, P35968]	Cc1cccc(c1)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P16234	P35968	7.096910013008056	7.376750709602099	0.279840696594043	Different Family
[P16234, P35968]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P16234	P35968	9.0	8.051220962623397	0.9487790373766032	Different Family
[P16234, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4ccc(cc4)OC(F)(F)F	P16234	P35968	7.142667503568732	7.920818753952375	0.778151250383643	Different Family
[P16234, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)Cl	P16234	P35968	7.022276394711152	7.142667503568732	0.12039110885757953	Different Family
[P16234, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)F	P16234	P35968	6.853871964321762	7.031517051446065	0.17764508712430338	Different Family
[P16234, P35968]	Cn1cc2ccc(cc2n1)N(C)c3ccnc(n3)Nc4cccc(c4)OC	P16234	P35968	7.0655015487564325	6.966576244513051	0.09892530424338197	Different Family
[P16234, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)NC(=O)CCCCCCC(=O)NO	P16234	P35968	5.9255492810454085	6.6252516539898965	0.699702372944488	Different Family
[P16234, P35968]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)O	P16234	P35968	6.391473966422806	6.392009141452825	5.351750300190972E-4	Different Family
[P16234, P35968]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P16234	P35968	8.142667503568731	5.751658843330804	2.391008660237927	Different Family
[P16234, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P16234	P35968	6.045757490560675	6.356547323513812	0.31078983295313733	Different Family
[P16234, P35968]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	P35968	7.337242168318426	7.080921907623926	0.2563202606944994	Different Family
[P16234, P35968]	c1cc2c(ccn2C(=O)Nc3cc(on3)C4CC4)cc1Oc5c6c(ncn5)CNC6	P16234	P35968	6.823908740944319	7.486121397654723	0.6622126567104045	Different Family
[P16234, P35968]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P16234	P35968	5.494850021680094	7.958607314841775	2.463757293161681	Different Family
[P16234, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P16234	P35968	8.920818753952375	8.113509274827518	0.8073094791248572	Different Family
[P16234, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P35968	6.096910013008056	5.1487416512809245	0.9481683617271317	Different Family
[P16234, P35968]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P16234	P35968	6.26074419673149	8.934833115752497	2.674088919021007	Different Family
[P16234, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P16234	P35968	5.393618634889395	5.2247537402597635	0.16886489462963183	Different Family
[P11362, P16234]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	8.045757490560675	7.267606240177032	0.778151250383643	Different Family
[P11362, P16234]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	8.154901959985743	7.769551078621726	0.3853508813640172	Different Family
[P11362, P16234]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	8.096910013008056	7.7447274948966935	0.3521825181113627	Different Family
[P11362, P16234]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P16234	P11362	6.609064892896621	7.886056647693163	1.2769917547965424	Different Family
[P11362, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	P11362	9.221848749616356	8.200659450546418	1.0211892990699383	Different Family
[P11362, P16234]	CCCCCCCCCCCCN1C(=O)c2cccc3c2c(ccc3NCCNCCN(C)C)C1=O	P16234	P11362	4.5821962773601195	4.540758335121918	0.04143794223820141	Different Family
[P11362, P16234]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	7.698970004336019	7.301029995663981	0.3979400086720375	Different Family
[P11362, P16234]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	7.958607314841775	7.055517327849832	0.9030899869919429	Different Family
[P11362, P16234]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P16234	P11362	7.920818753952375	7.6020599913279625	0.3187587626244124	Different Family
[P11362, P16234]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P16234	P11362	7.552841968657781	7.086186147616283	0.4666558210414973	Different Family
[P11362, P16234]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P16234	P11362	8.096910013008056	7.180456064458132	0.9164539485499246	Different Family
[P11362, P16234]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P16234	P11362	6.785156151952302	6.6595558851598815	0.12560026679242053	Different Family
[P11362, P16234]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P16234	P11362	7.267606240177032	7.1487416512809245	0.11886458889610729	Different Family
[P11362, P16234]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P16234	P11362	7.346787486224656	4.33913452199613	3.0076529642285257	Different Family
[P11362, P16234]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P16234	P11362	7.920818753952375	5.568636235841013	2.352182518111362	Different Family
[P11362, P16234]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P11362	8.886056647693163	8.744727494896694	0.14132915279646951	Different Family
[P11362, P16234]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P16234	P11362	7.1487416512809245	6.853871964321762	0.2948696869591627	Different Family
[P11362, P16234]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P16234	P11362	8.00436480540245	6.055517327849832	1.9488474775526177	Different Family
[P11362, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P16234	P11362	8.920818753952375	7.920818753952375	1.0	Different Family
[P11362, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P11362	6.096910013008056	5.366531544420414	0.7303784685876424	Different Family
[P11362, P16234]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P16234	P11362	6.26074419673149	6.1913164908710305	0.0694277058604591	Different Family
[P07948, P16234]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P16234	P07948	5.275724130399211	5.008773924307505	0.26695020609170594	Different Family
[P07948, P16234]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	P07948	9.221848749616356	8.781918676479622	0.4399300731367344	Different Family
[P07948, P16234]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P07948	5.943095148663527	5.856430705489719	0.08666444317380861	Different Family
[P07948, P16234]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P07948	7.301029995663981	7.431798275933005	0.13076828026902376	Different Family
[P07948, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P16234	P07948	7.585695311871668	4.8195873671616765	2.766107944709992	Different Family
[P07948, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P16234	P07948	8.086186147616283	5.451733454829255	2.634452692787028	Different Family
[P07948, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P16234	P07948	7.1487416512809245	5.892450870255313	1.2562907810256112	Different Family
[P07948, P16234]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P16234	P07948	7.076393356982541	4.342752870116284	2.733640486866257	Different Family
[P07948, P16234]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P16234	P07948	8.920818753952375	8.397940008672037	0.5228787452803374	Different Family
[P07948, P16234]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P07948	6.096910013008056	5.853871964321762	0.24303804868629442	Different Family
[P16234, P21802]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P16234	P21802	6.106904333903771	8.698970004336019	2.5920656704322473	Different Family
[P16234, P21802]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	P21802	9.221848749616356	8.494299370037627	0.7275493795787291	Different Family
[P16234, P21802]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	P16234	P21802	6.0195421077238995	6.494850021680094	0.4753079139561942	Different Family
[P16234, P21802]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P16234	P21802	6.172630726946175	6.031517051446065	0.1411136755001099	Different Family
[P16234, P21802]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P16234	P21802	5.892790030352131	6.565431095965801	0.6726410656136697	Different Family
[P16234, P21802]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P16234	P21802	5.943095148663527	6.585026652029182	0.6419315033656545	Different Family
[P16234, P21802]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P16234	P21802	8.886056647693163	8.823908740944319	0.062147906748844406	Different Family
[P16234, P21802]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P16234	P21802	9.0	8.698970004336019	0.30102999566398125	Different Family
[P16234, P21802]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Oc3c4cn[nH]c4ncn3	P16234	P21802	6.651695136951839	5.7435227937583235	0.9081723431935158	Different Family
[P16234, P21802]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P16234	P21802	6.096910013008056	5.568636235841013	0.5282737771670432	Different Family
[P16234, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P16234	Q9UM73	7.221848749616356	5.022276394711152	2.1995723549052038	Different Group
[P16234, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P16234	Q9UM73	6.6020599913279625	5.823908740944319	0.7781512503836439	Different Group
[P16234, Q9UM73]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	Q9UM73	7.040958607678906	6.6777807052660805	0.36317790241282566	Different Group
[P16234, Q9UM73]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P16234	Q9UM73	6.609064892896621	6.87942606879415	0.2703611758975297	Different Group
[P16234, Q9UM73]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P16234	Q9UM73	5.769551078621726	5.481486060122113	0.28806501849961297	Different Group
[P16234, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P16234	Q9UM73	9.221848749616356	7.948515197953478	1.273333551662878	Different Group
[P16234, Q9UM73]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P16234	Q9UM73	7.886056647693163	7.119186407719209	0.7668702399739544	Different Group
[P16234, Q9UM73]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	Q9UM73	7.221848749616356	6.259637310505756	0.9622114391106003	Different Group
[P16234, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P16234	Q9UM73	6.920818753952375	6.431798275933005	0.4890204780193699	Different Group
[P16234, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P16234	Q9UM73	6.823908740944319	6.180456064458132	0.643452676486187	Different Group
[P16234, Q9UM73]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P16234	Q9UM73	6.267606240177032	5.853871964321762	0.41373427585527	Different Group
[P16234, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P16234	Q9UM73	6.045757490560675	6.119186407719209	0.07342891715853384	Different Group
[P00533, P07949]	C=CC(=O)Nc1cc2c(ncnc2s1)Nc3ccc(c(c3)Cl)F	P00533	P07949	7.795880017344075	5.788879458741951	2.0070005586021242	Different Family
[P00533, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	P07949	6.998856140607032	8.497903821870143	1.4990476812631108	Different Family
[P00533, P07949]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P00533	P07949	7.494850021680094	6.459670525209126	1.0351794964709677	Different Family
[P00533, P07949]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00533	P07949	6.639661862517983	7.07860800348583	0.4389461409678477	Different Family
[P00533, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P07949	4.6020599913279625	5.080921907623926	0.47886191629596375	Different Family
[P00533, P07949]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Br	P00533	P07949	5.2441251443275085	7.0	1.7558748556724915	Different Family
[P00533, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P07949	6.045757490560675	6.017728766960431	0.028028723600243666	Different Family
[P00533, P07949]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P07949	6.133122185662502	9.698970004336019	3.565847818673517	Different Family
[P00533, P07949]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P00533	P07949	6.7447274948966935	6.363512103646634	0.3812153912500591	Different Family
[P00533, P07949]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OC4CCOC4)NC(=O)NCCN5CCCC5)Cl)F	P00533	P07949	7.167491087293763	6.651695136951839	0.515795950341924	Different Family
[P00533, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P07949	5.638272163982407	8.096910013008056	2.4586378490256493	Different Family
[P00533, P07949]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	P07949	5.2839966563652006	5.481486060122113	0.19748940375691237	Different Family
[P00533, P52333]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P52333	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P52333]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P52333	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P52333]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P00533	P52333	6.388276691992658	8.318758762624412	1.9304820706317543	Different Family
[P00533, P52333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P52333	4.6020599913279625	4.6020599913279625	0.0	Different Family
[P00533, P52333]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P00533	P52333	6.096910013008056	4.6020599913279625	1.4948500216800937	Different Family
[P00533, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P52333	6.045757490560675	5.101274818410507	0.9444826721501682	Different Family
[P00533, P52333]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P52333	6.229147988357856	5.275724130399211	0.9534238579586454	Different Family
[P00533, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P52333	6.133122185662502	7.2403321553103694	1.1072099696478679	Different Family
[P00533, P52333]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	P52333	7.958607314841775	5.5718652059712115	2.386742108870563	Different Family
[P00533, P52333]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	P52333	8.154901959985743	5.195860567664649	2.959041392321094	Different Family
[P00533, P52333]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P00533	P52333	5.679853713888946	5.089375595110798	0.5904781187781474	Different Family
[P00533, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P52333	5.638272163982407	5.142667503568732	0.495604660413675	Different Family
[P00533, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	Q96GD4	5.045757490560675	4.366531544420414	0.679225946140261	Different Group
[P00533, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	Q96GD4	6.998856140607032	8.564089641766962	1.5652335011599305	Different Group
[P00533, Q96GD4]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P00533	Q96GD4	6.199998172182031	6.399996913372259	0.1999987411902282	Different Group
[P00533, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	Q96GD4	4.645365019512084	4.685805534974844	0.04044051546275984	Different Group
[P00533, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	Q96GD4	4.638272163982407	4.337242168318426	0.30102999566398125	Different Group
[P00533, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	Q96GD4	6.161150909262744	5.6020599913279625	0.5590909179347818	Different Group
[P00533, Q96GD4]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P00533	Q96GD4	5.698970004336019	5.5376020021010435	0.16136800223497527	Different Group
[P00533, Q96GD4]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P00533	Q96GD4	6.045757490560675	5.050609993355088	0.9951474972055872	Different Group
[P00533, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	Q96GD4	5.886056647693163	6.301029995663981	0.4149733479708182	Different Group
[P00533, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	Q96GD4	6.221848749616356	5.638272163982407	0.5835765856339492	Different Group
[P00533, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	Q96GD4	3.721246399047171	6.040958607678906	2.319712208631735	Different Group
[P00533, Q96GD4]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	P00533	Q96GD4	5.5376020021010435	5.795880017344075	0.2582780152430315	Different Group
[P00533, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P00533	Q96GD4	5.679853713888946	8.045757490560675	2.365903776671729	Different Group
[P00533, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	Q96GD4	5.823908740944319	5.585026652029182	0.23888208891513685	Different Group
[P00533, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	Q96GD4	4.0	6.133712660915805	2.133712660915805	Different Group
[P00533, P06239]	CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4ccccn4	P00533	P06239	8.522878745280337	5.913640169325252	2.609238575955086	Different Family
[P00533, P06239]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P00533	P06239	5.259637310505756	5.327902142064283	0.06826483155852703	Different Family
[P00533, P06239]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCCCS(=O)(=O)C	P00533	P06239	5.376750709602099	5.292429823902063	0.08432088570003593	Different Family
[P00533, P06239]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P00533	P06239	6.292429823902063	7.102372908709558	0.8099430848074949	Different Family
[P00533, P06239]	CC(CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	P00533	P06239	5.255628772668139	5.258139605934736	0.002510833266597068	Different Family
[P00533, P06239]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P00533	P06239	4.690433704106226	4.801727901530653	0.11129419742442703	Different Family
[P00533, P06239]	CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3	P00533	P06239	5.449404792510672	5.095122233036595	0.3542825594740764	Different Family
[P00533, P06239]	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)Cc3cnc[nH]3)Cc4ccccc4	P00533	P06239	5.2694599635228805	5.71602071576152	0.4465607522386392	Different Family
[P00533, P06239]	CCCCCCCCCCCCCCCC[n+]1ccccc1	P00533	P06239	5.459420283495546	5.497299824689438	0.0378795411938917	Different Family
[P00533, P06239]	CCCCCCCCc1ccc(cc1)O	P00533	P06239	4.789975926195767	4.656512629761698	0.13346329643406918	Different Family
[P00533, P06239]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P00533	P06239	6.154901959985743	7.2839966563652006	1.1290946963794575	Different Family
[P00533, P06239]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P00533	P06239	6.199998172182031	6.900008766455316	0.7000105942732846	Different Family
[P00533, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P06239	4.522878745280337	6.214670164989233	1.6917914197088955	Different Family
[P00533, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	P06239	4.522878745280337	5.866461091629782	1.3435823463494447	Different Family
[P00533, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	P06239	4.522878745280337	4.823330067331851	0.30045132205151326	Different Family
[P00533, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P06239	4.522878745280337	5.434152181326482	0.9112734360461445	Different Family
[P00533, P06239]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P06239	4.6020599913279625	5.958607314841775	1.3565473235138121	Different Family
[P00533, P06239]	COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	P00533	P06239	5.217742426336699	4.70071066591232	0.5170317604243788	Different Family
[P00533, P06239]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P00533	P06239	4.25469874696885	4.101461297990865	0.15323744897798441	Different Family
[P00533, P06239]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P06239	6.045757490560675	6.212221349969987	0.16646385940931197	Different Family
[P00533, P06239]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P00533	P06239	6.248720896016658	5.903437561625864	0.3452833343907935	Different Family
[P00533, P06239]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P06239	6.229147988357856	6.657577319177793	0.42842933081993717	Different Family
[P00533, P06239]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P00533	P06239	7.823908740944319	7.161150909262744	0.6627578316815743	Different Family
[P00533, P06239]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P00533	P06239	5.2839966563652006	9.0	3.7160033436347994	Different Family
[P00533, P06239]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P00533	P06239	6.7447274948966935	9.397940008672037	2.653212513775344	Different Family
[P00533, P06239]	Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccc(cc4)OCC5CCCN(C5)C)C	P00533	P06239	5.5638373529592435	8.096910013008056	2.5330726600488127	Different Family
[P00533, P06239]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	P06239	6.015472686656207	7.886056647693163	1.8705839610369557	Different Family
[P00533, P06239]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P00533	P06239	6.1257501772215965	5.613947151059611	0.5118030261619859	Different Family
[P00533, P06239]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P00533	P06239	6.211831628858833	5.64685345378602	0.5649781750728122	Different Family
[P00533, P06239]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P00533	P06239	6.045757490560675	8.154901959985743	2.1091444694250683	Different Family
[P00533, P06239]	c1cc(c(cc1CC(C(=O)O)N)O)O	P00533	P06239	5.540607512240769	5.428407616638693	0.11219989560207644	Different Family
[P00533, P06239]	c1cc(c(cc1CCc2cc(ccc2O)O)C(=O)O)O	P00533	P06239	5.481486060122113	6.0	0.5185139398778871	Different Family
[P00533, P06239]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P00533	P06239	7.443697499232713	5.494850021680094	1.9488474775526194	Different Family
[P00533, P06239]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P00533	P06239	5.679853713888946	6.247183568811729	0.5673298549227832	Different Family
[P00533, P06239]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P06239	5.638272163982407	6.161150909262744	0.5228787452803374	Different Family
[P00533, P06239]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P00533	P06239	5.5247647773958715	5.299729062643563	0.2250357147523081	Different Family
[P00533, P06239]	c1cc2c(cc(c(c2nc1)O)I)I	P00533	P06239	5.7237680420781665	5.608888386297197	0.11487965578096926	Different Family
[P00533, P06239]	c1ccc(c(c1)CN(Cc2cc(ccc2O)O)c3ccc(c(c3)C(=O)O)O)O	P00533	P06239	5.3872161432802645	5.096910013008056	0.2903061302722083	Different Family
[P00533, P06239]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P00533	P06239	5.997833938243493	5.5395532161192795	0.4582807221242131	Different Family
[P00533, P06239]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	P06239	5.2839966563652006	5.251811972993799	0.032184683371401235	Different Family
[P00533, P06239]	c1ccc2c(c1)c(ncn2)Nc3cccc(c3)Cl	P00533	P06239	7.301029995663981	4.301029995663981	3.0	Different Family
[P00533, Q16539]	CC(C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	P00533	Q16539	5.495257363728312	6.0675262353228465	0.5722688715945345	Different Group
[P00533, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	Q16539	6.998856140607032	7.978810700930062	0.97995456032303	Different Group
[P00533, Q16539]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P00533	Q16539	4.690433704106226	5.130416292286577	0.4399825881803503	Different Group
[P00533, Q16539]	CCCCCCCCc1ccc(cc1)O	P00533	Q16539	4.789975926195767	4.82344574038671	0.033469814190942415	Different Group
[P00533, Q16539]	CN(C)c1cccc(c1)C(=O)Nc2cc(ccc2Cl)Nc3c4cc(c(cc4ncn3)OC)OC	P00533	Q16539	6.0	5.772113295386326	0.22788670461367388	Different Group
[P00533, Q16539]	CN(C)c1cccc(c1)C(=O)Nc2ccc(c(c2)Nc3c4cc(c(cc4ncn3)OC)OC)Cl	P00533	Q16539	4.5376020021010435	7.3979400086720375	2.860338006570994	Different Group
[P00533, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	Q16539	4.6020599913279625	5.431798275933005	0.8297382846050425	Different Group
[P00533, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3cc(c(cc3F)F)NC(=O)c4ccccc4	P00533	Q16539	6.309803919971486	7.301029995663981	0.9912260756924951	Different Group
[P00533, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3Cl)NC(=O)c4ccccc4	P00533	Q16539	4.958607314841775	7.096910013008056	2.1383026981662816	Different Group
[P00533, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)NC(=O)c4ccccc4)Cl	P00533	Q16539	5.657577319177793	6.214670164989233	0.5570928458114395	Different Group
[P00533, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)NC(=O)c4ccccc4	P00533	Q16539	5.251811972993799	6.853871964321762	1.6020599913279625	Different Group
[P00533, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3F)NC(=O)c4ccccc4	P00533	Q16539	5.552841968657781	6.161150909262744	0.6083089406049638	Different Group
[P00533, Q16539]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P00533	Q16539	4.25469874696885	4.739356293264975	0.4846575462961251	Different Group
[P00533, Q16539]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P00533	Q16539	6.248720896016658	6.1830961606243395	0.06562473539231828	Different Group
[P00533, Q16539]	Cc1ccc(cc1NC(=O)c2ccccc2)Nc3c4cc(c(cc4ncn3)OC)OC	P00533	Q16539	5.494850021680094	5.679853713888946	0.18500369220885204	Different Group
[P00533, Q16539]	Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	P00533	Q16539	5.240256632402275	6.452225294612178	1.2119686622099026	Different Group
[P00533, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00533	Q16539	6.42021640338319	7.301029995663981	0.8808135922807914	Different Group
[P00533, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00533	Q16539	7.086186147616283	6.853871964321762	0.23231418329452147	Different Group
[P00533, Q16539]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P00533	Q16539	6.1257501772215965	7.057495893831919	0.9317457166103225	Different Group
[P00533, Q16539]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P00533	Q16539	6.211831628858833	6.497572880015567	0.2857412511567343	Different Group
[P00533, Q16539]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	P00533	Q16539	5.7447274948966935	4.950781977329818	0.7939455175668755	Different Group
[P00533, Q16539]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P00533	Q16539	7.443697499232713	5.769551078621726	1.6741464206109873	Different Group
[P00533, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	Q16539	5.638272163982407	5.318758762624412	0.31951340135799455	Different Group
[P00533, Q16539]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P00533	Q16539	5.5247647773958715	6.145693958198919	0.6209291808030475	Different Group
[P00533, Q16539]	c1cc2c(cc(c(c2nc1)O)I)I	P00533	Q16539	5.7237680420781665	6.438898616350944	0.7151305742727772	Different Group
[P00533, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P49841	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P49841	4.645365019512084	5.958607314841775	1.3132422953296903	Different Group
[P00533, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P49841	6.229147988357856	5.111259039317107	1.1178889490407489	Different Group
[P00533, P49841]	[Cl-]	P00533	P49841	5.659873293894568	5.185086818724926	0.47478647516964223	Different Group
[P00533, P49841]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P49841	6.161150909262744	5.1249387366083	1.0362121726544444	Different Group
[P00533, P49841]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	P49841	3.721246399047171	5.698970004336019	1.9777236052888476	Different Group
[P00533, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P49841	5.638272163982407	5.7447274948966935	0.1064553309142866	Different Group
[P00533, P49841]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	P49841	4.0	5.580044251510242	1.580044251510242	Different Group
[P00533, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P12931	5.045757490560675	5.356547323513812	0.31078983295313733	Different Family
[P00533, P12931]	CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	P00533	P12931	6.214670164989233	6.619788758288394	0.4051185932991608	Different Family
[P00533, P12931]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P00533	P12931	6.292429823902063	6.173925197299173	0.11850462660289018	Different Family
[P00533, P12931]	CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	P00533	P12931	6.020451625295905	7.823908740944319	1.8034571156484134	Different Family
[P00533, P12931]	CC(c1ccccc1)Nc2cc(ccn2)c3c(nc(s3)C4CCN(CC4)C)c5ccc(cc5)F	P00533	P12931	6.056754637413759	5.096910013008056	0.9598446244057026	Different Family
[P00533, P12931]	CCOC(=O)c1ccc(cc1)Nc2c3cc4c(cc3ncn2)oc(=O)n4CCCN5CCOCC5	P00533	P12931	5.236572006437063	5.508638306165727	0.2720662997286638	Different Family
[P00533, P12931]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P00533	P12931	6.154901959985743	6.42021640338319	0.2653144433974468	Different Family
[P00533, P12931]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P00533	P12931	6.199998172182031	7.400007822415902	1.2000096502338709	Different Family
[P00533, P12931]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00533	P12931	9.698970004336019	5.7617029321246065	3.9372670722114123	Different Family
[P00533, P12931]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P00533	P12931	6.639661862517983	7.0435171896479485	0.40385532712996586	Different Family
[P00533, P12931]	CN1CCN(CC1)Cc2cc(co2)c3cc4c(cc3OC)c(c(cn4)C#N)Nc5cc(c(cc5Cl)Cl)OC	P00533	P12931	6.638272163982407	9.10790539730952	2.4696332333271123	Different Family
[P00533, P12931]	CN1CCN(CC1)c2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)Nc4c5ccccc5[nH]n4	P00533	P12931	5.769551078621726	7.769551078621726	2.0	Different Family
[P00533, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P12931	4.6020599913279625	5.2403321553103694	0.6382721639824069	Different Family
[P00533, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P12931	4.645365019512084	4.68837535480105	0.04301033528896525	Different Family
[P00533, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	P12931	4.638272163982407	4.853871964321762	0.21559980033935489	Different Family
[P00533, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P00533	P12931	4.657577319177793	5.346787486224656	0.6892101670468627	Different Family
[P00533, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P00533	P12931	4.853871964321762	5.040958607678906	0.1870866433571443	Different Family
[P00533, P12931]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P00533	P12931	6.096910013008056	5.522878745280337	0.5740312677277188	Different Family
[P00533, P12931]	COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	P00533	P12931	5.638272163982407	6.769551078621726	1.131278914639319	Different Family
[P00533, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P12931	6.045757490560675	5.771086594005312	0.2746708965553628	Different Family
[P00533, P12931]	Cc1cc(ccc1F)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00533	P12931	6.4089353929735005	7.774690718274137	1.3657553253006363	Different Family
[P00533, P12931]	Cc1ccc(cc1)Nc2c3cc4c(cc3ncn2)oc(=O)n4CCCN5CCOCC5	P00533	P12931	7.173925197299173	5.1249387366083	2.048986460690873	Different Family
[P00533, P12931]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P12931	6.133122185662502	8.397940008672037	2.264817823009536	Different Family
[P00533, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P00533	P12931	7.823908740944319	7.3979400086720375	0.42596873227228116	Different Family
[P00533, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P00533	P12931	6.7447274948966935	9.41195437047216	2.667226875575466	Different Family
[P00533, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	P12931	6.015472686656207	8.174360993000928	2.1588883063447204	Different Family
[P00533, P12931]	Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	P00533	P12931	6.411168274405793	5.958607314841775	0.45256095956401854	Different Family
[P00533, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00533	P12931	7.086186147616283	7.806091604354698	0.7199054567384149	Different Family
[P00533, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccccc4	P00533	P12931	7.107905397309519	7.795880017344075	0.6879746200345558	Different Family
[P00533, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P12931	6.161150909262744	6.096910013008056	0.0642408962546881	Different Family
[P00533, P12931]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P00533	P12931	6.585026652029182	7.853871964321762	1.26884531229258	Different Family
[P00533, P12931]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P00533	P12931	6.045757490560675	7.187086643357144	1.1413291527964695	Different Family
[P00533, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P12931	5.886056647693163	5.721246399047171	0.16481024864599192	Different Family
[P00533, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	P12931	6.221848749616356	6.154901959985743	0.06694678963061307	Different Family
[P00533, P12931]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	P00533	P12931	5.7447274948966935	4.701146923590294	1.0435805713064	Different Family
[P00533, P12931]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)F)NCc4c[nH]cn4)Cl)F	P00533	P12931	6.301029995663981	4.698970004336019	1.6020599913279625	Different Family
[P00533, P12931]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	P12931	3.721246399047171	6.920818753952375	3.1995723549052038	Different Family
[P00533, P12931]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P00533	P12931	5.403402904373539	5.11690664142431	0.28649626294922914	Different Family
[P00533, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	P12931	5.823908740944319	5.698970004336019	0.1249387366082999	Different Family
[P00533, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	P12931	5.2839966563652006	5.3979400086720375	0.11394335230683694	Different Family
[P00533, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P00533	P12931	7.568636235841013	6.1904402853647325	1.3781959504762806	Different Family
[P00533, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00533	P12931	7.376750709602099	6.192464971931146	1.1842857376709528	Different Family
[P00533, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00533	P12931	8.698970004336019	7.494850021680094	1.204119982655925	Different Family
[P00533, P12931]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P00533	P12931	6.568636235841013	5.517126416391246	1.051509819449767	Different Family
[P00533, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P12931	5.337242168318426	5.42021640338319	0.0829742350647642	Different Family
[P00533, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	Q05397	5.045757490560675	4.552841968657781	0.4929155219028942	Different Family
[P00533, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	Q05397	4.645365019512084	6.1001574545454496	1.4547924350333652	Different Family
[P00533, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	Q05397	4.638272163982407	5.022276394711152	0.38400423072874545	Different Family
[P00533, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P00533	Q05397	4.853871964321762	4.3979400086720375	0.45593195564972433	Different Family
[P00533, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P00533	Q05397	6.795880017344075	4.866461091629782	1.9294189257142929	Different Family
[P00533, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P00533	Q05397	7.0	4.987162775294828	2.012837224705172	Different Family
[P00533, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P00533	Q05397	6.2839966563652006	4.542118103266008	1.741878553099193	Different Family
[P00533, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P00533	Q05397	7.221848749616356	4.939302159646388	2.282546589969968	Different Family
[P00533, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	Q05397	6.161150909262744	5.507239610973163	0.6539112982895814	Different Family
[P00533, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	Q05397	5.886056647693163	5.6777807052660805	0.20827594242708258	Different Family
[P00533, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	Q05397	6.221848749616356	5.455931955649724	0.7659167939666318	Different Family
[P00533, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	Q05397	3.721246399047171	5.920818753952375	2.1995723549052038	Different Family
[P00533, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	Q05397	5.823908740944319	5.136677139879544	0.6872316010647745	Different Family
[P00533, Q05397]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	P00533	Q05397	7.301029995663981	5.2076083105017466	2.0934216851622347	Different Family
[P00533, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	Q05397	5.337242168318426	5.356547323513812	0.019305155195386448	Different Family
[P00533, Q05397]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P00533	Q05397	6.180456064458132	5.00436480540245	1.1760912590556813	Different Family
[P00533, P35968]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)CCc4ccccn4	P00533	P35968	4.701146923590294	4.360513510731414	0.34063341285887994	Different Family
[P00533, P35968]	C#Cc1cccc(c1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P00533	P35968	4.2580609222708015	4.0675262353228465	0.19053468694795495	Different Family
[P00533, P35968]	C=CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.301029995663981	6.6020599913279625	1.6989700043360187	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCC3=NCCO3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	6.903089986991944	6.320572103387881	0.582517883604063	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCC3CCN(CC3)C(=O)C(F)(F)F)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.327902142064283	6.6020599913279625	0.7258421507363204	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCC3CCN(CC3)C(=O)C=C)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	8.522878745280337	6.692503962086787	1.83037478319355	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCC3CCN(CC3)C(=O)N)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.823908740944319	6.866461091629782	0.9574476493145365	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCC3CNC(=O)O3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.769551078621726	6.231361898752386	1.53818917986934	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCCNC(=O)C(F)(F)F)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.229147988357856	6.228412519118745	1.0007354692391113	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCCNCCC=O)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.3979400086720375	6.156144577376839	1.2417954312951984	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCN)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	8.397940008672037	6.2636034977233574	2.13433651094868	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(=O)O)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	6.991399828238082	7.075720713938118	0.08432088570003593	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(F)(F)F)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.638272163982407	6.301029995663981	1.3372421683184257	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(F)F)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	8.301029995663981	6.281498311132726	2.0195316845312554	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C3CC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	8.096910013008056	6.289882634888183	1.807027378119873	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C3CCCN3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	5.709075440617246	6.181774106386045	0.4726986657687986	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCN)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	6.58838029403677	6.125518182300533	0.4628621117362366	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCN3CCCCC3)ncnc2Nc4ccc(c(c4F)Cl)Br	P00533	P35968	7.920818753952375	7.102372908709558	0.8184458452428167	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCN3CCCCC3)ncnc2Nc4ccc(c(c4F)F)Br	P00533	P35968	6.048662481204082	6.853871964321762	0.8052094831176797	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCN3CCCCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.853871964321762	6.024568191490737	1.8293037728310244	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCO)ncnc2Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.3872161432802645	7.055517327849832	0.3316988154304328	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCO)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.050609993355087	6.667561540084395	0.3830484532706917	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.050609993355087	6.628932137728264	0.4216778556268226	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN3CC=CC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.494850021680094	6.313363730737707	1.181486290942387	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN3CCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	6.005682847330363	6.021819483062586	0.016136635732222793	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN3CCCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.346787486224656	6.698970004336019	0.6478174818886373	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN3CCCCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	8.154901959985743	6.0670191780768015	2.0878827819089416	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN3CCOCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.494850021680094	6.106793246940152	1.3880567747399422	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CO)ncnc2Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.795880017344075	6.8326826652518236	0.9631973520922514	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CO)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.494850021680094	6.488116639021126	1.0067333826589682	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	8.397940008672037	6.6020599913279625	1.795880017344075	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N3CCNCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	6.156144577376839	6.156144577376839	0.0	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N3CCOCC3)ncnc2Nc4ccc(c(c4F)Cl)Br	P00533	P35968	7.455931955649724	6.872895201635193	0.5830367540145316	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N3CCOCC3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.443697499232713	6.705533773838407	0.7381637253943065	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)NC=C)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	7.5376020021010435	6.578396073130169	0.9592059289708743	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)c3ccc[nH]3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	6.434152181326482	6.001304841688344	0.4328473396381378	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNC(=O)c3cccs3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.327902142064283	6.889410289700751	0.4384918523635317	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCNc3nccs3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	6.5301779840218375	6.321481620959886	0.20869636306195183	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCCOCCOC(=O)CC(=O)O)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	6.0195421077238995	6.554395796726403	0.5348536890025031	Different Family
[P00533, P35968]	C=CC(=O)Nc1cc2c(cc1OCc3ccncc3)ncnc2Nc4ccc(cc4F)Br	P00533	P35968	7.251811972993799	6.301029995663981	0.9507819773298181	Different Family
[P00533, P35968]	C=CCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.045757490560675	6.281498311132726	0.764259179427949	Different Family
[P00533, P35968]	C=CCNC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.721246399047171	6.809668301829708	0.911578097217463	Different Family
[P00533, P35968]	CC(=C)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.161150909262744	6.068542129310995	1.0926087799517497	Different Family
[P00533, P35968]	CC(=C)C(=O)Nc1cc2c(cc1OCCNC(=O)C)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	5.991399828238082	5.0	0.991399828238082	Different Family
[P00533, P35968]	CC(=O)CNCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.585026652029182	7.026872146400302	0.5581545056288801	Different Family
[P00533, P35968]	CC(=O)CNCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Br)Cl	P00533	P35968	7.886056647693163	6.764471553092451	1.1215850946007118	Different Family
[P00533, P35968]	CC(=O)CNCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	8.397940008672037	6.020451625295905	2.377488383376132	Different Family
[P00533, P35968]	CC(=O)CNCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.853871964321762	6.97469413473523	0.8791778295865322	Different Family
[P00533, P35968]	CC(=O)CNCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.522878745280337	6.6020599913279625	1.920818753952375	Different Family
[P00533, P35968]	CC(=O)N(C)CCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.229147988357856	6.16304326294045	1.0661047254174063	Different Family
[P00533, P35968]	CC(=O)N1CCC(C1)Oc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.026872146400302	5.0	2.0268721464003017	Different Family
[P00533, P35968]	CC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4c(cc(cc4F)Br)F	P00533	P35968	7.886056647693163	6.8297382846050425	1.0563183630881205	Different Family
[P00533, P35968]	CC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(c(c4F)F)F	P00533	P35968	7.585026652029182	6.6020599913279625	0.9829666607012193	Different Family
[P00533, P35968]	CC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	8.522878745280337	6.882728704344236	1.6401500409361018	Different Family
[P00533, P35968]	CC(=O)N1CCCC(C1)Oc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	6.892790030352131	5.0	1.8927900303521312	Different Family
[P00533, P35968]	CC(=O)N1CCCC1C(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.6020599913279625	6.184422251675732	1.4176377396522302	Different Family
[P00533, P35968]	CC(=O)N1CCN(CC1)C(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.119186407719209	6.106793246940152	1.012393160779057	Different Family
[P00533, P35968]	CC(=O)NCCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.0	6.2636034977233574	1.7363965022766426	Different Family
[P00533, P35968]	CC(=O)NCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.397940008672037	6.804100347590766	1.5938396610812715	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1N(C)C(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.410050398674292	5.0	1.4100503986742918	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3c(cc(cc3F)Br)F	P00533	P35968	7.657577319177793	6.896196279044043	0.7613810401337506	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3Cl)Cl)Cl	P00533	P35968	6.057495893831919	6.102922996790579	0.04542710295866037	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3Cl)Cl)OC	P00533	P35968	7.376750709602099	5.0	2.376750709602099	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Br)C(=O)NOC	P00533	P35968	5.0	6.121478204498794	1.1214782044987937	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Br)Cl	P00533	P35968	7.823908740944319	6.377785977033705	1.4461227639106138	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Br)F	P00533	P35968	7.920818753952375	6.106793246940152	1.8140255070122233	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	8.301029995663981	6.815308569182402	1.4857214264815797	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)OC	P00533	P35968	7.096910013008056	6.447331783887807	0.649578229120249	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3OC)Cl)OC	P00533	P35968	7.060480747381382	7.045757490560675	0.014723256820706965	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3)Cl)F	P00533	P35968	7.920818753952375	5.0	2.920818753952375	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccnc4	P00533	P35968	6.099086932262331	6.069050968832477	0.03003596342985393	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.886056647693163	7.251811972993799	0.6342446746993637	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)F)F	P00533	P35968	7.853871964321762	6.31069114087638	1.5431808234453817	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3C(F)(F)F)Br	P00533	P35968	6.341035157335565	5.0	1.3410351573355648	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3Cl)Br	P00533	P35968	7.376750709602099	6.068542129310995	1.3082085802911045	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3Cl)Cl	P00533	P35968	7.309803919971486	6.5718652059712115	0.7379387140002747	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.698970004336019	7.017728766960432	1.6812412373755867	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Cl	P00533	P35968	7.7447274948966935	6.943095148663527	0.8016323462331663	Different Family
[P00533, P35968]	CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(nc3)Cl	P00533	P35968	7.187086643357144	6.08460016478773	1.1024864785694142	Different Family
[P00533, P35968]	CC(=O)NCCSc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.962573502059376	6.105130343254747	0.857443158804629	Different Family
[P00533, P35968]	CC(=O)Nc1ccc(cc1)Nc2c3cc(c(cc3nc(n2)Cl)OC)OC	P00533	P35968	4.424812155072339	5.701146923590294	1.2763347685179545	Different Family
[P00533, P35968]	CC(C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)N	P00533	P35968	7.7447274948966935	6.782516055786093	0.9622114391106003	Different Family
[P00533, P35968]	CC(C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)N(C)C	P00533	P35968	6.903089986991944	6.020451625295905	0.8826383616960385	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4ccc(cc4)Cl	P00533	P35968	4.231361898752385	4.671620396561262	0.4402584978088768	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4cccc(c4)F	P00533	P35968	4.511449283499556	4.505845405981558	0.005603877517998512	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4cccc(c4)OC	P00533	P35968	3.8843894883257004	4.3872161432802645	0.5028266549545641	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(c3c([nH]2)cccc3Cl)c(n1)Nc4ccccc4	P00533	P35968	3.9404365820987324	3.7166987712964503	0.22373781080228206	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4ccc(c(c4)C(F)(F)F)F	P00533	P35968	4.570247719997592	3.82131076022441	0.7489369597731823	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4ccc(c(c4)Cl)F	P00533	P35968	4.787812395596042	4.049148541111453	0.7386638544845887	Different Family
[P00533, P35968]	CC(C)(C)C(=O)Nc1nc2c(cc([nH]2)CCc3ccccn3)c(n1)Nc4cccc(c4)C(F)(F)F	P00533	P35968	4.892790030352131	4.777283528852417	0.11550650149971453	Different Family
[P00533, P35968]	CC(C)(C)NC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.853871964321762	7.301029995663981	0.5528419686577806	Different Family
[P00533, P35968]	CC(C)(C)NC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.346787486224656	6.373659632624958	0.9731278535996983	Different Family
[P00533, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P35968	5.045757490560675	5.356547323513812	0.31078983295313733	Different Family
[P00533, P35968]	CC(C)(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)CN(C)C	P00533	P35968	6.653647025549361	5.0	1.6536470255493612	Different Family
[P00533, P35968]	CC(C)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.892790030352131	6.156144577376839	0.7366454529752922	Different Family
[P00533, P35968]	CC(C)C(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)CN(C)C	P00533	P35968	6.826813731587726	5.0	1.826813731587726	Different Family
[P00533, P35968]	CC(C)C(Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC	P00533	P35968	4.739928612014925	5.301029995663981	0.5611013836490564	Different Family
[P00533, P35968]	CC(C)NC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.443697499232713	6.048176964684088	1.3955205345486252	Different Family
[P00533, P35968]	CC(C)OC(=O)Nc1ccc(cc1)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.318758762624412	5.296708621881339	0.02205014074307332	Different Family
[P00533, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P00533	P35968	5.259637310505756	6.9026041211390385	1.6429668106332826	Different Family
[P00533, P35968]	CC(C)c1ccc(cc1)Nc2c-3c(nc(n2)N)Cc4c3cccc4	P00533	P35968	4.370590400897281	4.958607314841775	0.588016913944494	Different Family
[P00533, P35968]	CC(C)c1ccc(cc1)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)N	P00533	P35968	4.376750709602099	4.518557371497695	0.141806661895596	Different Family
[P00533, P35968]	CC(C)c1ccc(cc1)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)NC(=O)C(C)(C)C	P00533	P35968	4.406713932979542	4.320572103387881	0.08614182959166161	Different Family
[P00533, P35968]	CC(C)c1ccc(cc1)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P00533	P35968	4.341035157335565	5.853871964321762	1.512836806986197	Different Family
[P00533, P35968]	CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5cccc(c5)Br	P00533	P35968	8.284623988107253	6.853871964321762	1.430752023785491	Different Family
[P00533, P35968]	CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5cccc(c5)C#C	P00533	P35968	8.460409376976187	7.301029995663981	1.1593793813122062	Different Family
[P00533, P35968]	CC(CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)N(C)C	P00533	P35968	6.488116639021126	6.181774106386045	0.3063425326350808	Different Family
[P00533, P35968]	CC(CN(C)C)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.600326278518962	6.429457060118103	0.1708692184008589	Different Family
[P00533, P35968]	CC(CNC(=O)C)Oc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.443697499232713	7.113509274827518	0.33018822440519546	Different Family
[P00533, P35968]	CC(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)C	P00533	P35968	7.119618401857362	7.112433569202255	0.007184832655106277	Different Family
[P00533, P35968]	CC(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)CN(C)C	P00533	P35968	6.764471553092451	6.363512103646634	0.40095944944581685	Different Family
[P00533, P35968]	CC(c1ccccc1)Nc2c3c(ncn2)Nc4cc(c(cc4CN3)OC)OC	P00533	P35968	6.56246936830415	5.698970004336019	0.8634993639681312	Different Family
[P00533, P35968]	CC(c1ccccc1)Nc2cc(ccn2)c3c(nc(s3)C4CCN(CC4)C)c5ccc(cc5)F	P00533	P35968	6.056754637413759	5.769551078621726	0.28720355879203296	Different Family
[P00533, P35968]	CC=CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.721246399047171	7.180456064458132	0.5407903345890395	Different Family
[P00533, P35968]	CCC(=O)N1CCCC1C(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	6.707743928643524	6.069050968832477	0.6386929598110465	Different Family
[P00533, P35968]	CCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.229884705212898	6.326979092871103	0.09709438765820533	Different Family
[P00533, P35968]	CCC(=O)Nc1cc2c(cc1OCCNC(=O)C)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	6.062482107982653	6.437707135543525	0.37522502756087217	Different Family
[P00533, P35968]	CCC(C)NC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.698970004336019	6.489454989793388	1.2095150145426308	Different Family
[P00533, P35968]	CCC(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)C	P00533	P35968	7.161150909262744	7.008773924307505	0.15237698495523944	Different Family
[P00533, P35968]	CCC(COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br)NC(=O)CN(C)C	P00533	P35968	7.638272163982407	6.007004901568658	1.6312672624137488	Different Family
[P00533, P35968]	CCC=CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.443697499232713	6.450996737974212	0.9927007612585008	Different Family
[P00533, P35968]	CCCC(=Cc1coc2c1c([nH]c(=N)n2)N)c3ccccc3OC	P00533	P35968	3.795066477645855	4.749579997691106	0.9545135200452513	Different Family
[P00533, P35968]	CCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.494850021680094	6.020451625295905	1.4743983963841885	Different Family
[P00533, P35968]	CCCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P00533	P35968	6.468393368067278	7.46344155742847	0.9950481893611922	Different Family
[P00533, P35968]	CCCCOC(=O)Nc1ccc(cc1)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.096910013008056	5.167491087293763	0.9294189257142929	Different Family
[P00533, P35968]	CCCCOC(=O)Nc1ccc(cc1C)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.119186407719209	5.2839966563652006	0.16481024864599192	Different Family
[P00533, P35968]	CCCCOC(=O)Nc1ccc(cc1Cl)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.1938200260161125	5.309803919971486	0.11598389395537367	Different Family
[P00533, P35968]	CCCCOc1cc2c(cc1OCCN(CC)CC)ncnc2Nc3ccc(c(c3)Cl)NC(=O)OCC	P00533	P35968	5.023676415120528	5.318758762624412	0.2950823475038842	Different Family
[P00533, P35968]	CCCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P00533	P35968	7.134896025358872	8.070581074285707	0.9356850489268353	Different Family
[P00533, P35968]	CCCNC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.443697499232713	7.346787486224656	0.09691001300805713	Different Family
[P00533, P35968]	CCCNC(=O)NC(C)COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.5376020021010435	6.105683937315561	1.4319180647854823	Different Family
[P00533, P35968]	CCCNC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.585026652029182	6.892790030352131	0.6922366216770506	Different Family
[P00533, P35968]	CCCNC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.585026652029182	6.339134521996131	1.2458921300330505	Different Family
[P00533, P35968]	CCCOC(=O)Nc1ccc(cc1)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.151810883008602	5.301029995663981	0.14921911265537968	Different Family
[P00533, P35968]	CCCOC(=O)Nc1ccc(cc1C)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.045757490560675	6.070581074285707	0.02482358372503235	Different Family
[P00533, P35968]	CCCOC(=O)Nc1ccc(cc1Cl)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.0	5.481486060122113	0.5185139398778871	Different Family
[P00533, P35968]	CCCOc1cc2c(cc1OC)c(ncn2)Nc3ccc(c(c3)C)NC(=O)OCC	P00533	P35968	5.4089353929735005	6.301029995663981	0.8920946026904808	Different Family
[P00533, P35968]	CCCOc1cc2c(cc1OC)c(ncn2)Nc3ccc(c(c3)Cl)NC(=O)OCC	P00533	P35968	5.259637310505756	6.301029995663981	1.0413926851582254	Different Family
[P00533, P35968]	CCN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.703334809738469	6.184422251675732	0.5189125580627367	Different Family
[P00533, P35968]	CCN(CC)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.236572006437063	6.510041520575165	0.7265304858618977	Different Family
[P00533, P35968]	CCN(CC)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.585026652029182	6.335358024443875	1.249668627585307	Different Family
[P00533, P35968]	CCN(CC)CCC(=O)NC(C)COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.619788758288394	6.603800652904264	1.01598810538413	Different Family
[P00533, P35968]	CCN(CC)CCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	8.154901959985743	7.267606240177032	0.8872957198087112	Different Family
[P00533, P35968]	CCN(CC)CCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)F)Br	P00533	P35968	7.721246399047171	6.661543506395395	1.0597028926517762	Different Family
[P00533, P35968]	CCN(CC)CCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.356547323513813	6.703334809738469	0.653212513775344	Different Family
[P00533, P35968]	CCN(CC)CCNC(=O)COc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.18575240426808	6.020451625295905	0.165300778972175	Different Family
[P00533, P35968]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P35968	5.292429823902063	4.8996294548824375	0.3928003690196258	Different Family
[P00533, P35968]	CCN(CC)CCOc1cc2c(cc1OC)c(ncn2)Nc3ccc(c(c3)Br)C	P00533	P35968	5.024568191490737	5.1904402853647325	0.16587209387399504	Different Family
[P00533, P35968]	CCN(CC)CCOc1cc2c(cc1OC)c(ncn2)Nc3ccc(c(c3)Cl)F	P00533	P35968	5.00436480540245	5.161150909262744	0.156786103860294	Different Family
[P00533, P35968]	CCN(CC)CCOc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	5.040958607678906	5.127843727251707	0.0868851195728011	Different Family
[P00533, P35968]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl)CCO	P00533	P35968	6.72584215073632	7.040958607678906	0.3151164569425857	Different Family
[P00533, P35968]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)Cl)F)CCO	P00533	P35968	6.782516055786093	7.022276394711152	0.2397603389250591	Different Family
[P00533, P35968]	CCN(c1ccc(cc1)OC)c2c3cc(oc3nc(n2)C)C	P00533	P35968	7.150580586203101	7.97469413473523	0.8241135485321287	Different Family
[P00533, P35968]	CCNC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.698970004336019	6.866461091629782	0.8325089127062366	Different Family
[P00533, P35968]	CCNC(=O)NCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.958607314841775	6.681936665037238	1.2766706498045366	Different Family
[P00533, P35968]	CCNC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	8.096910013008056	7.42021640338319	0.6766936096248664	Different Family
[P00533, P35968]	CCNC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.698970004336019	6.6020599913279625	2.0969100130080562	Different Family
[P00533, P35968]	CCNC(=S)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.167491087293763	6.723538195826756	0.4439528914670072	Different Family
[P00533, P35968]	CCNC(=S)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.040958607678906	6.450996737974212	0.5899618697046938	Different Family
[P00533, P35968]	CCOC(=O)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.008773924307505	6.600326278518962	0.4084476457885433	Different Family
[P00533, P35968]	CCOC(=O)CC(=O)OCCOCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.609064892896621	6.006563769502388	0.6025011233942328	Different Family
[P00533, P35968]	CCOC(=O)Nc1cc(ccc1C)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.301029995663981	5.187086643357144	0.11394335230683694	Different Family
[P00533, P35968]	CCOC(=O)Nc1cc(ccc1Cl)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.045757490560675	5.255707016877324	0.7900504736833511	Different Family
[P00533, P35968]	CCOC(=O)Nc1ccc(cc1C)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.045757490560675	6.244058319510563	0.198300828949888	Different Family
[P00533, P35968]	CCOC(=O)Nc1ccc(cc1C)Nc2c3cc(c(cc3ncn2)OCCN4CCOCC4)OC	P00533	P35968	5.096910013008056	6.3979400086720375	1.3010299956639813	Different Family
[P00533, P35968]	CCOC(=O)Nc1ccc(cc1Cl)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	6.0	6.301029995663981	0.30102999566398125	Different Family
[P00533, P35968]	CCOC(=O)Nc1ccc(cc1Cl)Nc2c3cc(c(cc3ncn2)OCCN4CCOCC4)OC	P00533	P35968	5.070581074285707	6.522878745280337	1.4522976709946303	Different Family
[P00533, P35968]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	P35968	5.103473782510445	5.121478204498794	0.018004421988348618	Different Family
[P00533, P35968]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)Cl)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	P35968	5.494850021680094	5.542118103266008	0.04726808158591389	Different Family
[P00533, P35968]	CCOC(=O)c1c(cn(n1)c2ccccc2)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	P35968	5.492144128304169	5.6307841425898575	0.13864001428568873	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OC	P00533	P35968	6.097290187030123	6.138254144382496	0.040963957352373015	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OC(CF)CF	P00533	P35968	6.113907492749627	6.739753713869817	0.6258462211201898	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4ccc(c(c4)F)F	P00533	P35968	6.41329058470985	6.605907609672387	0.1926170249625372	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4cccc(c4)C	P00533	P35968	7.182751792514435	6.468490109751557	0.7142616827628778	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4cccc(c4)Cl	P00533	P35968	7.681095085676189	6.921729058627969	0.7593660270482196	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4cccc(c4)OC	P00533	P35968	6.714597989095994	6.160569027118047	0.5540289619779468	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4ccccn4	P00533	P35968	6.571621904256693	6.432887532634041	0.13873437162265212	Different Family
[P00533, P35968]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4cccs4	P00533	P35968	6.9265950186120655	6.821914382292072	0.10468063631999325	Different Family
[P00533, P35968]	CN(C)C(CO)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.8996294548824375	6.098541678603888	0.8010877762785498	Different Family
[P00533, P35968]	CN(C)C(COC)C(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.2441251443275085	5.951946826884391	1.2921783174431178	Different Family
[P00533, P35968]	CN(C)CC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	8.221848749616356	7.259637310505756	0.9622114391106003	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.698970004336019	6.459670525209126	2.2392994791268928	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3c(cc(cc3F)Br)F	P00533	P35968	6.756961951313706	6.5718652059712115	0.1850967453424941	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Br)Cl	P00533	P35968	8.045757490560675	6.105683937315561	1.9400735532451137	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	8.045757490560675	6.124360062995832	1.9213974275648429	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3OC)Cl)OC	P00533	P35968	7.853871964321762	5.0	2.853871964321762	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3)Cl)Br	P00533	P35968	7.1249387366083	5.0	2.1249387366083	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3)F)Br	P00533	P35968	7.107905397309519	5.844056982028163	1.2638484152813563	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.721246399047171	7.060480747381382	0.6607656516657894	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)F)Br	P00533	P35968	7.7447274948966935	6.866461091629782	0.8782664032669114	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.698970004336019	6.2335871528876	2.4653828514484184	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Cl	P00533	P35968	6.377785977033705	6.120330794367947	0.2574551826657583	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)F	P00533	P35968	6.806875401645539	6.16304326294045	0.6438321387050889	Different Family
[P00533, P35968]	CN(C)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cccc(c3F)Cl	P00533	P35968	6.0343280287798935	6.024568191490737	0.009759837289156081	Different Family
[P00533, P35968]	CN(C)CC=CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.795880017344075	6.057991946977687	1.7378880703663881	Different Family
[P00533, P35968]	CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.152427340857888	5.357634419155027	0.7947929217028609	Different Family
[P00533, P35968]	CN(C)CCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.045757490560675	6.450996737974212	1.5947607525864624	Different Family
[P00533, P35968]	CN(C)CCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.552841968657781	6.686132779630847	0.8667091890269338	Different Family
[P00533, P35968]	CN(C)CCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)F)Br	P00533	P35968	6.245651664288981	6.018634490921456	0.2270171733675248	Different Family
[P00533, P35968]	CN(C)CCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.6777807052660805	6.903089986991944	0.7746907182741367	Different Family
[P00533, P35968]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P35968	4.866461091629782	4.809668301829708	0.05679278980007396	Different Family
[P00533, P35968]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P35968	4.508638306165727	4.886056647693163	0.37741834152743614	Different Family
[P00533, P35968]	CN(C)CCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	6.493494967595128	6.0675262353228465	0.42596873227228116	Different Family
[P00533, P35968]	CN(C)CCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.045757490560675	6.346787486224656	1.6989700043360187	Different Family
[P00533, P35968]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2c3cc(c(cc3nc(n2)Cl)OC)OC	P00533	P35968	4.172630726946175	4.363512103646634	0.19088137670045935	Different Family
[P00533, P35968]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2c3cc4c(cc3nc(n2)Cl)OCO4	P00533	P35968	4.73754891026957	4.6307841425898575	0.10676476767971277	Different Family
[P00533, P35968]	CN(C)c1ccc(cc1)Nc2c3cc(c(cc3nc(n2)Cl)OC)OC	P00533	P35968	4.443697499232712	4.405607449624573	0.03809004960813933	Different Family
[P00533, P35968]	CN1CCCC1C(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.390469833775569	6.008824802955241	1.3816450308203283	Different Family
[P00533, P35968]	CN1CCN(CC1)C(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.886056647693163	6.446116973356125	1.4399396743370376	Different Family
[P00533, P35968]	CN1CCN(CC1)CC(=O)NCCOc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.920818753952375	6.184422251675732	1.7363965022766426	Different Family
[P00533, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4)NC(=O)c5ccc(cc5)Cl	P00533	P35968	5.876148359032914	5.730487055782084	0.14566130325083027	Different Family
[P00533, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4)NC(=O)c5ccc(cc5)OC	P00533	P35968	5.954677021213342	5.694648630553377	0.26002839065996586	Different Family
[P00533, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4)NC(=O)c5cccc(c5)Cl	P00533	P35968	6.823908740944319	5.7423214251308154	1.0815873158135032	Different Family
[P00533, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4)NC(=O)c5ccccc5	P00533	P35968	6.886056647693163	6.251811972993799	0.6342446746993637	Different Family
[P00533, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4)NC(=O)c5ccccc5Cl	P00533	P35968	7.698970004336019	5.767003889607846	1.9319661147281728	Different Family
[P00533, P35968]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P00533	P35968	5.586700235918748	4.679853713888946	0.9068465220298023	Different Family
[P00533, P35968]	CNC(=S)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.008773924307505	6.34008379993015	0.6686901243773553	Different Family
[P00533, P35968]	CNCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.866461091629782	6.164309428507575	0.7021516631222076	Different Family
[P00533, P35968]	CNCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	8.522878745280337	6.812479279163537	1.7103994661168	Different Family
[P00533, P35968]	CNCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.017728766960432	6.289882634888183	0.7278461320722487	Different Family
[P00533, P35968]	CNS(=O)(=O)c1ccc(cc1)Nc2c3cc(c(cc3nc(n2)Cl)OC)OC	P00533	P35968	5.787812395596042	6.070581074285707	0.28276867868966526	Different Family
[P00533, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P35968	4.6020599913279625	5.107905397309519	0.5058454059815567	Different Family
[P00533, P35968]	COC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.008773924307505	7.102372908709558	0.09359898440205328	Different Family
[P00533, P35968]	COC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.801342913045577	7.075720713938118	0.27437780089254105	Different Family
[P00533, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P00533	P35968	5.045757490560675	5.259637310505756	0.2138798199450811	Different Family
[P00533, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P00533	P35968	5.552841968657781	5.337242168318426	0.21559980033935489	Different Family
[P00533, P35968]	COCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	7.698970004336019	6.08460016478773	1.6143698395482886	Different Family
[P00533, P35968]	COCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	6.671620396561262	6.590066876668706	0.0815535198925561	Different Family
[P00533, P35968]	COCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.853871964321762	6.79317412396815	1.0606978403536118	Different Family
[P00533, P35968]	COCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(c(c3F)Cl)Br	P00533	P35968	7.6777807052660805	6.555955204081924	1.1218255011841567	Different Family
[P00533, P35968]	COCCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.154901959985743	6.636388020107856	0.5185139398778871	Different Family
[P00533, P35968]	COCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.6020599913279625	6.586700235918748	1.0153597554092144	Different Family
[P00533, P35968]	COCCOc1cc2c(cc1OC)c(ncn2)NC3=CC(=O)C(=CC3=O)OCc4cccc(c4)OC	P00533	P35968	5.112945621949043	6.950678137091471	1.8377325151424282	Different Family
[P00533, P35968]	COCCOc1cc2c(cc1OC)c(ncn2)Nc3ccc(cc3F)Cl	P00533	P35968	7.0	8.154901959985743	1.154901959985743	Different Family
[P00533, P35968]	CON=CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	6.59176003468815	6.175223537524454	0.4165364971636958	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	P35968	4.638272163982407	7.508638306165727	2.87036614218332	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P00533	P35968	4.657577319177793	5.508638306165727	0.8510609869879335	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P00533	P35968	4.853871964321762	5.795880017344075	0.9420080530223132	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)c2c[nH]cn2)NC(=O)Nc3ccccn3	P00533	P35968	7.605373235727791	7.478469658721289	0.12690357700650257	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3ccncc3	P00533	P35968	6.882430436536173	6.67064280586845	0.21178763066772266	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3nccs3	P00533	P35968	6.498776367194819	6.535793715656216	0.03701734846139715	Different Family
[P00533, P35968]	COc1cc(cc(c1OC)c2cncnc2)NC(=O)Nc3ccncc3	P00533	P35968	6.536913666975467	6.3081231774406685	0.22879048953479852	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)Nc3c(c(ncn3)NCc4ccc(c(c4)Cl)F)NC2	P00533	P35968	6.159379381312206	5.698970004336019	0.46040937697618745	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)Nc3c(c(ncn3)NCc4ccccc4)NC2	P00533	P35968	6.372363747448347	5.698970004336019	0.673393743112328	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)C(=O)N)Cl	P00533	P35968	6.045757490560675	5.931814138253839	0.11394335230683605	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)O)Cl	P00533	P35968	5.366531544420414	5.6777807052660805	0.3112491608456667	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)S(=O)(=O)N)Cl	P00533	P35968	5.6252516539898965	5.991399828238082	0.3661481742481856	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)Cl	P00533	P35968	5.013228265733755	5.108462542327436	0.09523427659368089	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)NC(=O)OC	P00533	P35968	5.211124884224583	5.296708621881339	0.08558373765675586	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)Br	P00533	P35968	5.443697499232713	6.096910013008056	0.6532125137753431	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P00533	P35968	5.112945621949043	7.920818753952375	2.8078731320033317	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)NC(=O)OC	P00533	P35968	5.161150909262744	5.236572006437063	0.07542109717431877	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Br	P00533	P35968	5.2441251443275085	5.88578674206852	0.6416615977410114	Different Family
[P00533, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(c(c3)F)Br	P00533	P35968	5.229147988357856	6.221848749616356	0.9927007612584999	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P00533	P35968	6.096910013008056	6.0	0.09691001300805624	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(cc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P00533	P35968	6.54515513999149	7.769551078621726	1.224395938630236	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4cccc(c4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P00533	P35968	7.086186147616283	6.671620396561262	0.41456575105502136	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccc(cc5)Cl	P00533	P35968	5.8696662315049934	5.581698708680254	0.28796752282473914	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5cccc(c5)Cl	P00533	P35968	6.638272163982407	5.52432881167557	1.113943352306837	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCN3CCCCC3)ncnc2Nc4ccc(cc4)NC(=O)c5cccc(c5)Cl	P00533	P35968	6.522878745280337	5.701146923590294	0.8217318216900438	Different Family
[P00533, P35968]	COc1cc2c(cc1OCCN3CCCCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	P00533	P35968	5.336299074610352	5.3260580013659125	0.010241073244439569	Different Family
[P00533, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P00533	P35968	6.276216063034671	7.014663358264388	0.738447295229717	Different Family
[P00533, P35968]	COc1ccc(c(c1)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N)OC	P00533	P35968	3.9480760839538935	7.0	3.0519239160461065	Different Family
[P00533, P35968]	COc1ccc(c(c1OC)OC)C=CC(=O)Nc2cc3c(cc2OC4CCOC4)ncnc3Nc5ccc(c(c5)Cl)F	P00533	P35968	8.443697499232712	6.320572103387881	2.1231253958448315	Different Family
[P00533, P35968]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	P00533	P35968	6.795880017344075	5.3872161432802645	1.4086638740638104	Different Family
[P00533, P35968]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	P00533	P35968	7.0	5.468521082957745	1.5314789170422554	Different Family
[P00533, P35968]	COc1ccc(cc1)C=CC(=O)Nc2cc3c(cc2OC4CCOC4)ncnc3Nc5ccc(c(c5)Cl)F	P00533	P35968	8.040958607678906	6.052566278112949	1.988392329565957	Different Family
[P00533, P35968]	COc1ccc(cc1)N2Cc3cnc(nc3N(C2=O)C4CCC(C4)O)Nc5ccc(cc5)F	P00533	P35968	6.2636034977233574	7.301029995663981	1.0374264979406238	Different Family
[P00533, P35968]	COc1ccc(cc1)N2Cc3cnc(nc3N(C2=O)C4CCC(C4)O)Nc5ccccc5	P00533	P35968	6.522649180253704	7.700424939470168	1.1777757592164644	Different Family
[P00533, P35968]	COc1ccc(cn1)c2cc(cc(c2OC)OC)NC(=O)Nc3ccccn3	P00533	P35968	7.176590985107455	7.100179497572904	0.07641148753455163	Different Family
[P00533, P35968]	COc1ccc(cn1)c2ccc(c(c2)NC(=O)Nc3nccs3)OC(F)(F)F	P00533	P35968	6.305131672017544	6.408490191005346	0.10335851898780213	Different Family
[P00533, P35968]	COc1cccc(c1)Nc2c3c4c(cccc4Cl)[nH]c3nc(n2)N	P00533	P35968	4.081445469449727	4.154281982033341	0.07283651258361434	Different Family
[P00533, P35968]	COc1ccccc1C(Cc2coc3c2c(nc(n3)N)N)C4CC4	P00533	P35968	4.247951552180561	4.863279432843593	0.615327880663032	Different Family
[P00533, P35968]	CS(=O)(=O)CC(=O)N1CCC(CC1)COc2cc3c(cc2NC(=O)C=C)c(ncn3)Nc4ccc(cc4F)Br	P00533	P35968	7.585026652029182	6.966576244513051	0.6184504075161312	Different Family
[P00533, P35968]	CS(=O)(=O)CC(=O)NCCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.167491087293763	6.481486060122113	0.6860050271716505	Different Family
[P00533, P35968]	CS(=O)(=O)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3cc(c(cc3F)Cl)Cl	P00533	P35968	7.3979400086720375	6.182434630440219	1.2155053782318186	Different Family
[P00533, P35968]	CS(=O)(=O)CC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.619788758288394	6.679853713888946	0.9399350443994479	Different Family
[P00533, P35968]	CS(=O)(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.6020599913279625	6.432973633840939	1.1690863574870232	Different Family
[P00533, P35968]	CSCC(=O)NCCOc1cc2c(cc1NC(=O)C=C)c(ncn2)Nc3ccc(cc3F)Br	P00533	P35968	7.4089353929735005	6.197226274708024	1.2117091182654764	Different Family
[P00533, P35968]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(c4c3cccc4)O)c5ccccc5)c6ccccc6	P00533	P35968	5.292429823902063	5.341035157335565	0.048605333433501485	Different Family
[P00533, P35968]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(cc3)O)c4ccccc4)c5ccccc5	P00533	P35968	5.43533393574791	5.462180904926726	0.02684696917881535	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccc(cc5)Cl	P00533	P35968	5.3487219860018556	5.36251027048749	0.013788284485634072	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccccc5	P00533	P35968	5.330683119433888	5.347753658996677	0.01707053956278859	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccc(cc6)Cl	P00533	P35968	5.422508200162775	5.45717457304082	0.034666372878045415	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccccc6	P00533	P35968	5.448550002027125	5.462180904926726	0.01363090289960045	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4c5ccccc5)c6ccccc6	P00533	P35968	5.591760034688151	5.6307841425898575	0.03902410790170663	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccc(cc6)Cl	P00533	P35968	5.5934598195660445	5.621602099051862	0.02814227948581749	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccccc6	P00533	P35968	5.410050398674292	5.462180904926726	0.05213050625243376	Different Family
[P00533, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4ccc(c(=O)o4)NC(=O)c5ccccc5	P00533	P35968	5.539102157243452	5.610833915635467	0.07173175839201562	Different Family
[P00533, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P35968	6.045757490560675	5.375717904164332	0.6700395863963431	Different Family
[P00533, P35968]	Cc1cc(ccc1NC(=O)Nc2cccc(c2)Br)Oc3c4c5c(sc4ncn3)CCCC5	P00533	P35968	5.482804102050026	7.468521082957745	1.9857169809077186	Different Family
[P00533, P35968]	Cc1cc(ccc1NC(=O)OC(C)C)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.236572006437063	5.279840696594043	0.04326869015697987	Different Family
[P00533, P35968]	Cc1cc(ccc1NC(=O)OC)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.3979400086720375	6.070581074285707	0.6726410656136697	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(c(c3)OC)OC	P00533	P35968	7.044312249686494	7.730487055782084	0.6861748060955897	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC	P00533	P35968	7.125407895065626	7.706807631652825	0.5813997365871986	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3)OC(C)C	P00533	P35968	6.990549104201306	7.414539270491499	0.42399016629019304	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc(cc3OC)OC	P00533	P35968	6.789681480173768	7.490797477668897	0.7011159974951289	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)CCO4	P00533	P35968	6.6451235774837665	8.173925197299173	1.5288016198154066	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(C)c3ccc4c(c3)OCO4	P00533	P35968	6.525492360883025	7.701146923590294	1.175654562707269	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N(c3ccc(cc3)OC)C(C)C	P00533	P35968	7.073657553374345	7.806875401645538	0.7332178482711926	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N3CCCc4c3ccc(c4)OC	P00533	P35968	8.468521082957745	7.478861916295964	0.9896591666617809	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)N3CCc4c3ccc(c4)OC	P00533	P35968	6.986320302708807	7.679853713888946	0.6935334111801383	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(c(c3)Cl)F	P00533	P35968	7.519993057042849	7.235077015350112	0.2849160416927372	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)C(F)(F)F	P00533	P35968	6.913284336055118	7.1791420105603	0.26585767450518194	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)Cl	P00533	P35968	6.99012436628784	7.153662887870195	0.16353852158235505	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccc(cc3)OC	P00533	P35968	7.374687549038327	7.3655227298392685	0.009164819199058094	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3cccc(c3)C#C	P00533	P35968	7.522878745280337	7.117475462045119	0.4054032832352181	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3cccc4c3cc[nH]4	P00533	P35968	7.044793462458058	6.99097425791309	0.05381920454496836	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3cccc4c3cccc4	P00533	P35968	6.838033383635925	7.492144128304169	0.6541107446682437	Different Family
[P00533, P35968]	Cc1cc2c(nc(nc2o1)C)Nc3ccccc3	P00533	P35968	6.946153573147748	7.298432014944073	0.35227844179632495	Different Family
[P00533, P35968]	Cc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3c4cc(c(cc4ncn3)OCCCN5CCN(CC5)C)OC	P00533	P35968	6.161150909262744	6.060480747381382	0.10067016188136257	Different Family
[P00533, P35968]	Cc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3c4cc(c(cc4ncn3)OCCCN5CCOCC5)OC	P00533	P35968	6.119186407719209	5.698970004336019	0.4202164033831899	Different Family
[P00533, P35968]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	P00533	P35968	6.2839966563652006	5.6777807052660805	0.6062159510991201	Different Family
[P00533, P35968]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	P00533	P35968	7.221848749616356	5.806875401645538	1.4149733479708182	Different Family
[P00533, P35968]	Cc1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P00533	P35968	4.982549270489463	4.249491605148654	0.7330576653408096	Different Family
[P00533, P35968]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P00533	P35968	7.0455162828444475	6.27417000967942	0.7713462731650278	Different Family
[P00533, P35968]	Cc1ccc(cc1)n2cc(c(n2)C(=O)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	P35968	5.036684488613889	5.05700040663396	0.02031591802007071	Different Family
[P00533, P35968]	Cc1ccc(cc1)n2cc(c(n2)C(=O)Nc3ccccc3)C(=O)c4c([nH]c(c4c5ccccc5)c6ccccc6)C	P00533	P35968	5.347753658996677	5.363512103646634	0.01575844464995768	Different Family
[P00533, P35968]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c([nH]c(c4c5ccccc5)c6ccccc6)C)C	P00533	P35968	5.265200170411153	5.360513510731414	0.09531334032026084	Different Family
[P00533, P35968]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c[nH]c(c4c5ccccc5)c6ccccc6)O	P00533	P35968	5.462180904926726	5.492144128304169	0.02996322337744317	Different Family
[P00533, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P35968	6.133122185662502	8.638272163982407	2.5051499783199054	Different Family
[P00533, P35968]	Cc1ccc(cc1NC(=O)OC)Nc2c3cc(c(cc3ncn2)OC)OC	P00533	P35968	5.142667503568732	5.107905397309519	0.03476210625921272	Different Family
[P00533, P35968]	Cc1ccc(cc1O)Nc2c3c(c(cn3ncn2)C)C	P00533	P35968	6.698970004336019	7.698970004336019	1.0	Different Family
[P00533, P35968]	Cc1ccc(cc1O)Nc2c3c(ccn3ncn2)C	P00533	P35968	6.468521082957745	7.221848749616356	0.7533276666586115	Different Family
[P00533, P35968]	Cc1ccc(cc1O)Nc2c3cc(cn3ncn2)C	P00533	P35968	6.187086643357144	6.3979400086720375	0.21085336531489318	Different Family
[P00533, P35968]	Cc1ccc(cc1O)Nc2c3cccn3ncn2	P00533	P35968	6.292429823902063	5.841637507904751	0.4507923159973126	Different Family
[P00533, P35968]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)Nc3c4cc(c(cc4ncn3)OC)OCCCN5CCOCC5	P00533	P35968	5.628932137728264	5.067120542176201	0.5618115955520633	Different Family
[P00533, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	P35968	6.015472686656207	6.255707016877324	0.2402343302211163	Different Family
[P00533, P35968]	Cc1ccccc1Cc2cc3c([nH]2)nc(nc3Nc4cccc(c4)Br)N	P00533	P35968	5.038821548146398	6.650514997831991	1.6116934496855926	Different Family
[P00533, P35968]	Cc1ccccc1Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P00533	P35968	3.9457700901366026	3.9453869454431123	3.8314469349032265E-4	Different Family
[P00533, P35968]	Cn1cc(nc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P00533	P35968	6.780939667551139	6.652494350524098	0.1284453170270412	Different Family
[P00533, P35968]	Cn1cc(nc1)c2cc(cc(c2)NC(=O)Nc3nccs3)C(F)(F)F	P00533	P35968	6.507574887223914	6.5445612485335865	0.03698636130967259	Different Family
[P00533, P35968]	Cn1cc(nc1)c2cc(cc(c2OC)OC)NC(=O)Nc3nccs3	P00533	P35968	6.441291429466834	6.37659563212075	0.06469579734608377	Different Family
[P00533, P35968]	Cn1cc(nc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P35968	7.023100049017062	6.449588180991926	0.5735118680251361	Different Family
[P00533, P35968]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P00533	P35968	5.74206307814416	5.366531544420414	0.3755315337237466	Different Family
[P00533, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P35968	6.161150909262744	6.102372908709558	0.05877800055318616	Different Family
[P00533, P35968]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P00533	P35968	6.585026652029182	7.3872161432802645	0.8021894912510827	Different Family
[P00533, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P00533	P35968	6.045757490560675	5.6020599913279625	0.4436974992327123	Different Family
[P00533, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P35968	5.886056647693163	5.920818753952375	0.034762106259211834	Different Family
[P00533, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	P35968	6.221848749616356	6.221848749616356	0.0	Different Family
[P00533, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00533	P35968	5.367542707815276	4.875821944525325	0.4917207632899512	Different Family
[P00533, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00533	P35968	5.388276691992658	4.796967112985289	0.591309579007369	Different Family
[P00533, P35968]	c1cc(c(cc1Cl)Cl)Cc2cc3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P00533	P35968	5.6020599913279625	4.34008379993015	1.261976191397813	Different Family
[P00533, P35968]	c1cc(c(cc1Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl)F)C(F)(F)F	P00533	P35968	4.037630664329979	3.946537395074545	0.09109326925543382	Different Family
[P00533, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	P35968	3.721246399047171	6.552841968657781	2.8315955696106094	Different Family
[P00533, P35968]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P35968	7.743763466794077	7.654430243943608	0.08933322285046863	Different Family
[P00533, P35968]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3nccs3)OC(F)(F)F	P00533	P35968	7.144420277498282	7.163549286279846	0.019129008781563428	Different Family
[P00533, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P00533	P35968	5.403402904373539	6.508638306165727	1.1052354017921875	Different Family
[P00533, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2Cl)Oc3c4c5c(sc4ncn3)CCCC5	P00533	P35968	5.8996294548824375	7.823908740944319	1.9242792860618811	Different Family
[P00533, P35968]	c1cc(cc(c1)Br)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P00533	P35968	6.698970004336019	4.55129368009492	2.1476763242410986	Different Family
[P00533, P35968]	c1cc(cc(c1)Br)Nc2c3ccn(c3nc(n2)N)Cc4ccc(cc4)Cl	P00533	P35968	4.000434511774018	4.185086818724926	0.18465230695090806	Different Family
[P00533, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3cc(cnc3)NCCCO	P00533	P35968	5.866461091629782	7.075720713938118	1.2092596223083358	Different Family
[P00533, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P00533	P35968	5.679853713888946	5.928117992693875	0.24826427880492918	Different Family
[P00533, P35968]	c1cc(cc(c1)F)Nc2c3cc([nH]c3nc(n2)N)Cc4ccc(cc4Cl)Cl	P00533	P35968	3.791558643561433	6.522878745280337	2.7313201017189046	Different Family
[P00533, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Nc3c4ccc(cc4ncn3)OCCCN5CCN(CC5)CCO	P00533	P35968	7.00436480540245	7.1249387366083	0.12057393120584958	Different Family
[P00533, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)F)Nc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P00533	P35968	5.4795164672592085	5.664542099310616	0.1850256320514072	Different Family
[P00533, P35968]	c1cc(cc(c1)Nc2c3cc(ccc3ncn2)NC(=O)Nc4ccc(cc4)CN5CCCC5)C(F)(F)F	P00533	P35968	8.387216143280265	6.247951552180561	2.1392645910997032	Different Family
[P00533, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P35968	5.638272163982407	6.356547323513812	0.7182751595314052	Different Family
[P00533, P35968]	c1cc(ccc1Nc2c3cc4c(cc3nc(n2)Cl)OCO4)S(=O)(=O)N	P00533	P35968	4.460923901207224	4.570247719997592	0.10932381879036868	Different Family
[P00533, P35968]	c1cc(ccc1Nc2ncc3c(n2)-c4ccc(cc4SC3)Cl)Cl	P00533	P35968	4.34008379993015	5.251811972993799	0.9117281730636497	Different Family
[P00533, P35968]	c1cc(ccc1c2c(oc(n2)C3(CCNCC3)O)c4ccnc(c4)NC5CCCCC5)F	P00533	P35968	5.828788659588897	5.853871964321762	0.02508330473286513	Different Family
[P00533, P35968]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P00533	P35968	6.23495017809705	7.064240896254688	0.8292907181576377	Different Family
[P00533, P35968]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P00533	P35968	6.722413704215237	7.031423664824502	0.30900996060926555	Different Family
[P00533, P35968]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3nccs3)C(F)(F)F	P00533	P35968	7.106959888042882	7.241390857340257	0.13443096929737486	Different Family
[P00533, P35968]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P35968	7.012244383261477	6.892281389479737	0.11996299378173969	Different Family
[P00533, P35968]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3nccs3)OC(F)(F)F	P00533	P35968	6.916891720805265	6.9725688422330965	0.055677121427831544	Different Family
[P00533, P35968]	c1cc2c(c(c1)Cl)c3c([nH]2)nc(nc3Nc4ccc(cc4)Cl)N	P00533	P35968	4.196542884351586	4.87942606879415	0.6828831844425647	Different Family
[P00533, P35968]	c1cc2c(c(c1)Cl)c3c([nH]2)nc(nc3Nc4ccc(cc4F)Cl)N	P00533	P35968	4.410050398674293	4.410050398674293	0.0	Different Family
[P00533, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	P35968	5.823908740944319	5.886056647693163	0.062147906748844406	Different Family
[P00533, P35968]	c1ccc(c(c1)NC2=CC(=O)C(=C(C2=O)C(=O)N)N)O	P00533	P35968	5.585026652029182	7.958607314841775	2.373580662812593	Different Family
[P00533, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	P35968	5.2839966563652006	5.1487416512809245	0.13525500508427601	Different Family
[P00533, P35968]	c1ccc(cc1)Cn2ccc3c2nc(nc3Nc4cccc(c4)Br)N	P00533	P35968	3.7788466780452947	4.623423042943488	0.844576364898193	Different Family
[P00533, P35968]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	P00533	P35968	7.301029995663981	5.73754891026957	1.563481085394411	Different Family
[P00533, P35968]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P00533	P35968	5.022276394711152	5.366531544420414	0.3442551497092614	Different Family
[P00533, P35968]	c1ccc(cc1)Sc2cccc3c2c4c(nc(nc4[nH]3)N)N	P00533	P35968	4.821886747685368	4.645891560852599	0.17599518683276916	Different Family
[P00533, P35968]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccc(cc6)Cl	P00533	P35968	5.357535479757878	5.462180904926726	0.10464542516884734	Different Family
[P00533, P35968]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccccc6	P00533	P35968	5.443697499232713	5.462180904926726	0.01848340569401241	Different Family
[P00533, P35968]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00533	P35968	8.698970004336019	6.071604147743286	2.627365856592733	Different Family
[P00533, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4)F	P00533	P35968	3.5589335933607367	4.049148541111453	0.4902149477507165	Different Family
[P00533, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4ccc(cc4F)Cl	P00533	P35968	4.931814138253839	3.7053133757205567	1.226500762533282	Different Family
[P00533, P35968]	c1ccc-2c(c1)Cc3c2c(nc(n3)N)Nc4cccc(c4)Cl	P00533	P35968	4.707743928643524	3.873219422987991	0.8345245056555326	Different Family
[P00533, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	P35968	4.0	5.2247537402597635	1.2247537402597635	Different Family
[P00533, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P35968	5.337242168318426	5.3872161432802645	0.04997397496183886	Different Family
[P00533, P35968]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5)Cl)N	P00533	P35968	4.898940645091884	6.2076083105017466	1.3086676654098621	Different Family
[P00533, P35968]	c1ccc2c(c1)cccc2Cc3cc4c([nH]3)nc(nc4Nc5ccc(cc5F)Cl)N	P00533	P35968	3.950394387405027	4.493494967595128	0.5431005801901008	Different Family
[P00533, P35968]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	P00533	P35968	6.180456064458132	5.494850021680094	0.6856060427780379	Different Family
[P00533, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4ccc(c(c4)Br)F)N	P00533	P35968	4.066006836168758	4.617982957425132	0.5519761212563736	Different Family
[P00533, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4ccc(c(c4)C(F)(F)F)F)N	P00533	P35968	4.806875401645539	3.904830648568245	0.9020447530772939	Different Family
[P00533, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4cccc(c4)Br)N	P00533	P35968	6.522878745280337	4.30189945437661	2.2209792909037276	Different Family
[P00533, P35968]	c1ccnc(c1)CCc2cc3c([nH]2)nc(nc3Nc4cccc(c4)C(F)(F)F)N	P00533	P35968	4.714442690992226	4.777283528852417	0.06284083786019057	Different Family
[P00533, P35968]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cccnc3	P00533	P35968	7.04301563225724	7.061780582187257	0.018764949930017316	Different Family
[P00533, P35968]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3	P00533	P35968	7.57577192930402	7.282329496997738	0.2934424323062821	Different Family
[P00533, P35968]	c1cnccc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cncnc3	P00533	P35968	7.828858848971618	7.666149854897455	0.16270899407416284	Different Family
[P00533, P35968]	c1csc(n1)NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cncnc3	P00533	P35968	7.143754599209946	7.062131203436141	0.08162339577380529	Different Family
[P00533, Q15303]	C#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	P00533	Q15303	8.682258126592544	8.769551078621726	0.0872929520291823	Same Family
[P00533, Q15303]	C=CC(=O)Nc1cc2c(ncnc2s1)Nc3ccc(c(c3)Cl)F	P00533	Q15303	7.795880017344075	8.397940008672037	0.6020599913279625	Same Family
[P00533, Q15303]	CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P00533	Q15303	9.06246936830415	9.301029995663981	0.2385606273598313	Same Family
[P00533, Q15303]	CC(C)(C(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc5c4cns5)N	P00533	Q15303	8.585026652029182	7.102372908709558	1.4826537433196236	Same Family
[P00533, Q15303]	CC(C)N(CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F)C(C)C	P00533	Q15303	7.246612231696679	6.269217724333611	0.9773945073630674	Same Family
[P00533, Q15303]	CC(C)N(CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F)C(C)C	P00533	Q15303	8.167679012221937	7.958607314841775	0.2090716973801623	Same Family
[P00533, Q15303]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	Q15303	6.998856140607032	7.548213564475709	0.5493574238686776	Same Family
[P00533, Q15303]	CCCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P00533	Q15303	8.393639922791078	8.619788758288394	0.22614883549731601	Same Family
[P00533, Q15303]	CCCCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P00533	Q15303	8.085348113584487	8.148741651280925	0.06339353769643807	Same Family
[P00533, Q15303]	CCCCN(CCCC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P00533	Q15303	7.539677499296606	7.136677139879544	0.4030003594170619	Same Family
[P00533, Q15303]	CCCCN(CCCC)CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P00533	Q15303	7.678273661756906	6.204815410317576	1.4734582514393297	Same Family
[P00533, Q15303]	CCN(CC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc(c(c3)Cl)F	P00533	Q15303	7.5713337517843655	6.1911141326401875	1.380219619144178	Same Family
[P00533, Q15303]	CCN(CC)CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P00533	Q15303	8.338064696729745	6.508638306165727	1.8294263905640182	Same Family
[P00533, Q15303]	CCN(CC)CCC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccc(c(c3)Cl)F	P00533	Q15303	8.545757490560675	7.795880017344075	0.7498774732165998	Same Family
[P00533, Q15303]	CCN(CC)CCCNC(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	P00533	Q15303	7.494850021680094	8.096910013008056	0.6020599913279625	Same Family
[P00533, Q15303]	CN(C)CC=C(C(=O)Nc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)F)F	P00533	Q15303	9.698970004336019	7.638272163982407	2.060697840353612	Same Family
[P00533, Q15303]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Br)F	P00533	Q15303	8.763621775341393	9.096910013008056	0.3332882376666628	Same Family
[P00533, Q15303]	CN1CCN(CC1)CCC#CC(=O)Nc2cc3c(cn2)ncnc3Nc4ccc(c(c4)Cl)F	P00533	Q15303	9.011138197355576	8.920818753952375	0.0903194434032013	Same Family
[P00533, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCC(CC3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	7.742801573860656	6.8326826652518236	0.9101189086088324	Same Family
[P00533, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCC(C3)F)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	7.343518484209501	6.6311554931741785	0.7123629910353229	Same Family
[P00533, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	8.288161906333738	7.077430231014287	1.2107316753194501	Same Family
[P00533, Q15303]	COc1cc2c(cc1NC(=O)C=CCN3CCCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	7.916139199133427	7.383734594718292	0.5324046044151354	Same Family
[P00533, Q15303]	Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)NC(=O)OCC6COCCN6	P00533	Q15303	7.494850021680094	6.721246399047171	0.7736036226329226	Same Family
[P00533, Q15303]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	Q15303	7.958607314841775	8.259637310505756	0.30102999566398125	Same Family
[P00533, Q15303]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	Q15303	8.154901959985743	8.481486060122112	0.32658410013636896	Same Family
[P00533, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)F	P00533	Q15303	8.527243550682787	6.096367483915762	2.4308760667670244	Same Family
[P00533, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4ccc5c(c4)cccn5	P00533	Q15303	7.355561410532162	6.031517051446065	1.3240443590860966	Same Family
[P00533, Q15303]	Cn1cc(cn1)c2ccc3c(c2)c(ncn3)Nc4cccc(c4)C#C	P00533	Q15303	8.446116973356126	6.106793246940152	2.3393237264159747	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OC4CCOC4)NC(=O)NCCN5CCCC5)Cl)F	P00533	Q15303	7.167491087293763	7.920818753952375	0.7533276666586115	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCC(F)F)NC(=O)C=CCN4CCCCC4)Cl)F	P00533	Q15303	8.005682847330363	6.812479279163537	1.1932035681668252	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)C=CCN5CCCCC5)Cl)F	P00533	Q15303	7.945004138470859	7.211124884224583	0.7338792542462755	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCF)NC(=O)C=CCN4CCCCC4)Cl)F	P00533	Q15303	8.191114132640188	7.110698297493689	1.080415835146498	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCCCC4)Cl)F	P00533	Q15303	8.706144517490543	8.744727494896694	0.038582977406150576	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Br)F	P00533	Q15303	8.585348113584487	9.0	0.41465188641551265	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCCN4CCOCC4)Cl)F	P00533	Q15303	8.815392071294928	9.0	0.1846079287050717	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(ncc3ncn2)NC(=O)C#CCN4CCOCC4)Cl)F	P00533	Q15303	8.181255135243745	8.207608310501746	0.026353175258000405	Same Family
[P00533, Q15303]	c1cc(c(cc1Nc2c3cc(sc3ncn2)NC(=O)C=CCN4CC5CCC4C(=O)C5)Cl)F	P00533	Q15303	9.045757490560675	7.431798275933005	1.6139592146276698	Same Family
[P00533, Q15303]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P00533	Q15303	7.443697499232713	6.619788758288394	0.8239087409443195	Same Family
[P00533, Q15303]	c1cc2c(cc1NC(=O)C#CCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	8.34518491628705	8.366531544420413	0.02134662813336341	Same Family
[P00533, Q15303]	c1cc2c(cc1NC(=O)C#CCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	P00533	Q15303	7.287069927461079	6.640164517660112	0.6469054098009677	Same Family
[P00533, Q15303]	c1cc2c(cc1c3cnn(c3)C4CCNCC4)c(ncn2)Nc5ccc(c(c5)Cl)F	P00533	Q15303	7.496209316942819	5.795066477645856	1.7011428392969634	Same Family
[P00533, Q15303]	c1cc2cc(ccc2nc1)Nc3c4cc(ccc4ncn3)c5cnn(c5)C6CCNCC6	P00533	Q15303	7.549750891680639	5.958607314841775	1.5911435768388644	Same Family
[P00533, Q15303]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	Q15303	5.2839966563652006	5.769551078621726	0.48555442225652534	Same Family
[P00533, P24941]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)OCc4ccc(cc4)C(=O)Nc5ccccc5N	P00533	P24941	7.107905397309519	4.886056647693163	2.221848749616356	Different Group
[P00533, P24941]	C#Cc1cccc(c1)Nc2c3cc(ccc3ncn2)S(=O)(=O)n4ccc(c4)C=CC(=O)Nc5ccccc5N	P00533	P24941	5.886056647693163	4.769551078621726	1.1165055690714372	Different Group
[P00533, P24941]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P24941	5.045757490560675	4.638272163982407	0.40748532657826786	Different Group
[P00533, P24941]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P00533	P24941	5.586700235918748	5.0	0.5867002359187481	Different Group
[P00533, P24941]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P00533	P24941	5.00436480540245	5.200659450546418	0.19629464514396755	Different Group
[P00533, P24941]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P24941	4.645365019512084	5.161150909262744	0.51578588975066	Different Group
[P00533, P24941]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)c3ccc(cc3)Cl	P00533	P24941	5.668572703479257	4.726258163788953	0.9423145396903045	Different Group
[P00533, P24941]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P24941	6.045757490560675	5.401209493236885	0.64454799732379	Different Group
[P00533, P24941]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P24941	5.638272163982407	6.3872161432802645	0.7489439792978576	Different Group
[P00533, P24941]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P00533	P24941	5.0	4.750000100140428	0.2499998998595716	Different Group
[P00533, P24941]	c1ccc(c(c1)N)NC(=O)c2ccc(cc2)COc3ccc4c(c3)c(ncn4)Nc5cccc(c5)Br	P00533	P24941	7.481486060122113	4.657577319177793	2.8239087409443195	Different Group
[P00533, P24941]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P00533	P24941	5.022276394711152	5.292429823902063	0.2701534291909109	Different Group
[P00533, P24941]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P24941	5.337242168318426	5.443697499232713	0.1064553309142875	Different Group
[P00533, P11802]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P11802	5.045757490560675	4.568636235841013	0.4771212547196617	Different Group
[P00533, P11802]	CC(c1c(cc2c(c1O)C(=O)c3c(cc(c(c3O)O)O)C2=O)O)OC	P00533	P11802	4.3872161432802645	4.425968732272281	0.03875258899201661	Different Group
[P00533, P11802]	CC(c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)O)C2=O)O)O	P00533	P11802	4.425968732272281	4.361510743045363	0.06445798922691814	Different Group
[P00533, P11802]	CC(c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)O)C2=O)O)OC	P00533	P11802	4.560667306169737	4.647817481888637	0.08715017571890016	Different Group
[P00533, P11802]	CCC(C)C1C(C2C(CC(CC2(C(=O)C1(C)O)O)(C)O)C)(C)C(=O)C=COC	P00533	P11802	4.978810700930062	4.939302159646388	0.03950854128367354	Different Group
[P00533, P11802]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P00533	P11802	5.00436480540245	5.2076083105017466	0.20324350509929623	Different Group
[P00533, P11802]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P11802	4.645365019512084	4.853871964321762	0.20850694480967746	Different Group
[P00533, P11802]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P11802	6.045757490560675	5.3260580013659125	0.7196994891947623	Different Group
[P00533, P11802]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P00533	P11802	5.022276394711152	5.102372908709558	0.08009651399840578	Different Group
[P00533, P11802]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P11802	5.337242168318426	5.568636235841013	0.2313940675225874	Different Group
[P00533, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P00533	P11362	5.259637310505756	7.337242168318426	2.07760485781267	Different Family
[P00533, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCCCS(=O)(=O)C	P00533	P11362	5.376750709602099	7.236572006437063	1.8598212968349639	Different Family
[P00533, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	P11362	6.998856140607032	8.200659450546418	1.201803309939386	Different Family
[P00533, P11362]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P11362	5.292429823902063	5.055517327849832	0.23691249605223152	Different Family
[P00533, P11362]	CCN(CC)CCOc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00533	P11362	6.455931955649724	7.366531544420414	0.9105995887706895	Different Family
[P00533, P11362]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P11362	4.866461091629782	4.4156687756324695	0.4507923159973126	Different Family
[P00533, P11362]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P00533	P11362	4.508638306165727	4.627087997029894	0.11844969086416679	Different Family
[P00533, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	P11362	4.522878745280337	4.90274269030658	0.37986394502624243	Different Family
[P00533, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, P11362]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P00533	P11362	5.045757490560675	4.623423042943488	0.4223344476171871	Different Family
[P00533, P11362]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P00533	P11362	5.552841968657781	5.1487416512809245	0.40410031737685603	Different Family
[P00533, P11362]	COc1cc(cc(c1OC)c2c[nH]cn2)NC(=O)Nc3ccccn3	P00533	P11362	7.605373235727791	7.248028425263673	0.35734481046411837	Different Family
[P00533, P11362]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3ccccn3	P00533	P11362	7.311491192343479	7.159016162679622	0.15247502966385706	Different Family
[P00533, P11362]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3ccncc3	P00533	P11362	6.882430436536173	6.565670662662271	0.3167597738739021	Different Family
[P00533, P11362]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3nccs3	P00533	P11362	6.498776367194819	6.476396587863431	0.022379779331387795	Different Family
[P00533, P11362]	COc1ccc(cn1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P11362	6.987458027224164	7.001087095641214	0.013629068417049695	Different Family
[P00533, P11362]	Cc1cc(ccc1F)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P00533	P11362	6.4089353929735005	6.029653123769907	0.37928226920359354	Different Family
[P00533, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P11362	6.229147988357856	5.767003889607846	0.4621440987500103	Different Family
[P00533, P11362]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P11362	6.133122185662502	8.744727494896694	2.611605309234192	Different Family
[P00533, P11362]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P00533	P11362	6.7447274948966935	6.055517327849832	0.6892101670468618	Different Family
[P00533, P11362]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	P11362	6.015472686656207	6.017728766960432	0.002256080304224639	Different Family
[P00533, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)F	P00533	P11362	6.42021640338319	6.0301183562535	0.39009804712968954	Different Family
[P00533, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P00533	P11362	7.086186147616283	7.211124884224583	0.1249387366082999	Different Family
[P00533, P11362]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccccc4	P00533	P11362	7.107905397309519	7.522878745280337	0.4149733479708182	Different Family
[P00533, P11362]	Cn1cc(nc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P00533	P11362	6.780939667551139	6.58370906565516	0.19723060189597863	Different Family
[P00533, P11362]	Cn1cc(nc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P11362	7.023100049017062	6.431094585017121	0.592005463999941	Different Family
[P00533, P11362]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P00533	P11362	5.74206307814416	5.309803919971486	0.43225915817267424	Different Family
[P00533, P11362]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P00533	P11362	6.045757490560675	4.431798275933005	1.6139592146276698	Different Family
[P00533, P11362]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P11362	7.743763466794077	7.487182241435127	0.2565812253589499	Different Family
[P00533, P11362]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3nccs3)OC(F)(F)F	P00533	P11362	7.144420277498282	6.812028298352604	0.33239197914567864	Different Family
[P00533, P11362]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P00533	P11362	6.722413704215237	6.859932130947713	0.13751842673247605	Different Family
[P00533, P11362]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3nccs3)C(F)(F)F	P00533	P11362	7.106959888042882	7.003707281458678	0.10325260658420365	Different Family
[P00533, P11362]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P00533	P11362	7.012244383261477	6.9821322810364945	0.030112102224982173	Different Family
[P00533, P11362]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3nccs3)OC(F)(F)F	P00533	P11362	6.916891720805265	7.017050711425501	0.10015899062023603	Different Family
[P00533, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	P11362	5.2839966563652006	5.366531544420414	0.08253488805521325	Different Family
[P00533, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P00533	P11362	7.568636235841013	7.200659450546419	0.3679767852945943	Different Family
[P00533, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P00533	P11362	7.376750709602099	6.749579997691106	0.6271707119109928	Different Family
[P00533, P11362]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P00533	P11362	8.698970004336019	7.200659450546419	1.4983105537896	Different Family
[P00533, P11362]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cccnc3	P00533	P11362	7.04301563225724	6.886524601463263	0.15649103079397708	Different Family
[P00533, P11362]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3	P00533	P11362	7.57577192930402	7.090016305060156	0.48575562424386387	Different Family
[P00533, P11362]	c1cnccc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cncnc3	P00533	P11362	7.828858848971618	7.54928912185308	0.27956972711853734	Different Family
[P00533, P08581]	CC(C)(C#Cc1ccc(c(c1)C(=O)c2ccc(cc2)Nc3ccc(cc3F)F)OC)N	P00533	P08581	5.2060323256818215	5.823908740944319	0.6178764152624971	Different Family
[P00533, P08581]	CC(C)(C#Cc1ccc(c(c1)c2c3cnc(nc3n[nH]2)Nc4ccc(cc4F)F)OC)N	P00533	P08581	5.2839966563652006	5.823908740944319	0.5399120845791181	Different Family
[P00533, P08581]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P08581	5.045757490560675	4.5376020021010435	0.5081554884596313	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cc(ccc5F)c6ccsc6	P00533	P08581	6.242603971206976	5.778846678045295	0.4637572931616809	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5ccc(cc5)c6ccsc6	P00533	P08581	5.920456992597094	5.5699249444480605	0.3505320481490335	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccco6	P00533	P08581	5.719649306953994	5.567832730557412	0.1518165763965822	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6cccs6	P00533	P08581	5.9779842601822795	5.567351339986893	0.4106329201953862	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccoc6	P00533	P08581	6.774690718274138	5.979638717352292	0.7950520009218458	Different Family
[P00533, P08581]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccsc6	P00533	P08581	7.026872146400302	6.400116927926312	0.6267552184739893	Different Family
[P00533, P08581]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P00533	P08581	5.00436480540245	5.130768280269024	0.12640347486657344	Different Family
[P00533, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P08581	4.6020599913279625	4.6020599913279625	0.0	Different Family
[P00533, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P08581	4.645365019512084	4.455931955649724	0.18943306386236003	Different Family
[P00533, P08581]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P00533	P08581	6.276216063034671	8.643974142806877	2.367758079772207	Different Family
[P00533, P08581]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NS(=O)(=O)c5cccc(c5)c6ccoc6	P00533	P08581	5.413412695328245	6.009661145212399	0.596248449884154	Different Family
[P00533, P08581]	Cc1c(c(=O)n(n1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P00533	P08581	5.115204636051019	8.301029995663981	3.185825359612962	Different Family
[P00533, P08581]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	P08581	6.045757490560675	5.6860800803851195	0.3596774101755553	Different Family
[P00533, P08581]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P00533	P08581	7.0455162828444475	8.856985199745905	1.8114689169014575	Different Family
[P00533, P08581]	Cn1cc(cn1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P00533	P08581	5.361111575294925	5.911863911299449	0.5507523360045239	Different Family
[P00533, P08581]	Cn1cc(cn1)c2cccc(c2)S(=O)(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P00533	P08581	7.075720713938118	6.248720896016658	0.8269998179214602	Different Family
[P00533, P08581]	Cn1cc(cn1)c2cccc(c2)S(=O)(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCOCC6)OC	P00533	P08581	5.863279432843593	5.764724123312948	0.09855530953064573	Different Family
[P00533, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P08581	6.161150909262744	6.236572006437063	0.07542109717431877	Different Family
[P00533, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P08581	5.886056647693163	5.958607314841775	0.07255066714861158	Different Family
[P00533, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	P08581	6.221848749616356	6.096910013008056	0.1249387366082999	Different Family
[P00533, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00533	P08581	5.367542707815276	5.294992040666664	0.07255066714861158	Different Family
[P00533, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00533	P08581	5.388276691992658	5.221848749616356	0.16642794237630198	Different Family
[P00533, P08581]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	P08581	3.721246399047171	6.236572006437063	2.515325607389892	Different Family
[P00533, P08581]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P00533	P08581	7.443697499232713	5.251811972993799	2.191885526238914	Different Family
[P00533, P08581]	c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c5c(ccn5ncn4)COCC6CNCCO6	P00533	P08581	7.214670164989233	5.187086643357144	2.0275835216320885	Different Family
[P00533, P08581]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P00533	P08581	6.23495017809705	8.774690718274137	2.5397405401770863	Different Family
[P00533, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	P08581	5.823908740944319	5.552841968657781	0.2710667722865381	Different Family
[P00533, P08581]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P08581	5.337242168318426	5.481486060122113	0.14424389180368724	Different Family
[P00533, P28482]	CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)SC)F)CC(=O)O	P00533	P28482	4.620132710919122	5.961777361631282	1.3416446507121602	Different Group
[P00533, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P28482]	COc1ccc(cc1)N2Cc3cnc(nc3N(C2=O)C4CCC(C4)O)Nc5ccc(cc5)F	P00533	P28482	6.2636034977233574	4.8996294548824375	1.36397404284092	Different Group
[P00533, P28482]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P00533	P28482	6.248720896016658	5.845271792559845	0.40344910345681306	Different Group
[P00533, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P28482	6.229147988357856	4.522878745280337	1.7062692430775188	Different Group
[P00533, P28482]	Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	P00533	P28482	5.240256632402275	6.269217724333611	1.0289610919313361	Different Group
[P00533, P28482]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P00533	P28482	6.1257501772215965	6.707743928643524	0.5819937514219271	Different Group
[P00533, P28482]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P00533	P28482	6.211831628858833	6.414539270491499	0.2027076416326663	Different Group
[P00533, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P00533	P28482	5.367542707815276	4.848017604542526	0.5195251032727501	Different Group
[P00533, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P00533	P28482	5.388276691992658	4.7972393126068	0.5910373793858579	Different Group
[P00533, P28482]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P00533	P28482	5.679853713888946	6.528708288941061	0.8488545750521155	Different Group
[P00533, P28482]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P00533	P28482	5.5247647773958715	6.205511953340831	0.6807471759449593	Different Group
[P00533, P28482]	c1cc2c(cc(c(c2nc1)O)I)I	P00533	P28482	5.7237680420781665	6.531652669587842	0.8078846275096758	Different Group
[P00533, P28482]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P00533	P28482	5.997833938243493	6.163675884293248	0.16584194604975533	Different Group
[P00533, P28482]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	P28482	4.0	4.0	0.0	Different Group
[P00533, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	Q02763	5.045757490560675	4.958607314841775	0.08715017571890016	Different Family
[P00533, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	Q02763	6.998856140607032	6.671212799645465	0.32764334096156666	Different Family
[P00533, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	Q02763	4.6020599913279625	7.365243527891042	2.76318353656308	Different Family
[P00533, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	Q02763	4.645365019512084	5.841805124463402	1.1964401049513178	Different Family
[P00533, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	Q02763	4.638272163982407	5.2839966563652006	0.6457244923827936	Different Family
[P00533, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P00533	Q02763	4.657577319177793	4.585026652029182	0.07255066714861158	Different Family
[P00533, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P00533	Q02763	4.853871964321762	4.958607314841775	0.10473535052001282	Different Family
[P00533, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	Q02763	6.133122185662502	8.657577319177793	2.524455133515292	Different Family
[P00533, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	Q02763	6.015472686656207	6.168770306132936	0.15329761947672882	Different Family
[P00533, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	Q02763	6.161150909262744	6.585026652029182	0.42387574276643747	Different Family
[P00533, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	Q02763	5.886056647693163	6.096910013008056	0.21085336531489318	Different Family
[P00533, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	Q02763	6.221848749616356	6.221848749616356	0.0	Different Family
[P00533, Q02763]	c1cc(ccc1c2coc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P00533	Q02763	5.0	7.803768480298833	2.8037684802988334	Different Family
[P00533, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	Q02763	5.823908740944319	5.7447274948966935	0.07918124604762511	Different Family
[P00533, Q02763]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P00533	Q02763	5.022276394711152	5.050609993355088	0.028333598643935254	Different Family
[P00533, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	P31749	4.522878745280337	4.730954290342377	0.20807554506203996	Different Group
[P00533, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P00533, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P31749	4.6020599913279625	4.0	0.6020599913279625	Different Group
[P00533, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	P31749	6.229147988357856	5.508638306165727	0.7205096821921293	Different Group
[P00533, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P31749	6.161150909262744	5.476253533188435	0.6848973760743089	Different Group
[P00533, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P31749	5.886056647693163	5.721246399047171	0.16481024864599192	Different Group
[P00533, P31749]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P00533	P31749	3.721246399047171	5.268411234813262	1.5471648357660905	Different Group
[P00533, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P31749	5.638272163982407	5.154901959985743	0.48337020399666386	Different Group
[P00533, P31749]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	P31749	4.0	4.413412695328245	0.4134126953282449	Different Group
[P00533, P31749]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P31749	5.337242168318426	5.045757490560675	0.2914846777577509	Different Group
[O14757, P00533]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	O14757	6.998856140607032	8.540291951309868	1.5414358107028363	Different Group
[O14757, P00533]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	O14757	5.103473782510445	6.113509274827518	1.0100354923170727	Different Group
[O14757, P00533]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)Cl)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	O14757	5.494850021680094	6.275724130399211	0.7808741087191171	Different Group
[O14757, P00533]	CCOC(=O)c1c(cn(n1)c2ccccc2)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	O14757	5.492144128304169	6.173925197299173	0.6817810689950043	Different Group
[O14757, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P00533]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(c4c3cccc4)O)c5ccccc5)c6ccccc6	P00533	O14757	5.292429823902063	6.508638306165727	1.2162084822636636	Different Group
[O14757, P00533]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(cc3)O)c4ccccc4)c5ccccc5	P00533	O14757	5.43533393574791	6.346787486224656	0.9114535504767458	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccc(cc5)Cl	P00533	O14757	5.3487219860018556	6.6777807052660805	1.329058719264225	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccccc5	P00533	O14757	5.330683119433888	6.920818753952375	1.5901356345184867	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccc(cc6)Cl	P00533	O14757	5.422508200162775	6.292429823902063	0.8699216237392884	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccccc6	P00533	O14757	5.448550002027125	6.096910013008056	0.6483600109809311	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4c5ccccc5)c6ccccc6	P00533	O14757	5.591760034688151	6.040958607678906	0.4491985729907553	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccc(cc6)Cl	P00533	O14757	5.5934598195660445	6.267606240177032	0.6741464206109873	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccccc6	P00533	O14757	5.410050398674292	6.154901959985743	0.7448515613114512	Different Group
[O14757, P00533]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4ccc(c(=O)o4)NC(=O)c5ccccc5	P00533	O14757	5.539102157243452	6.107905397309519	0.5688032400660674	Different Group
[O14757, P00533]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	O14757	6.229147988357856	5.863279432843593	0.3658685555142629	Different Group
[O14757, P00533]	Cc1ccc(cc1)n2cc(c(n2)C(=O)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P00533	O14757	5.036684488613889	6.508638306165727	1.4719538175518379	Different Group
[O14757, P00533]	Cc1ccc(cc1)n2cc(c(n2)C(=O)Nc3ccccc3)C(=O)c4c([nH]c(c4c5ccccc5)c6ccccc6)C	P00533	O14757	5.347753658996677	6.096910013008056	0.7491563540113795	Different Group
[O14757, P00533]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c([nH]c(c4c5ccccc5)c6ccccc6)C)C	P00533	O14757	5.265200170411153	6.00436480540245	0.7391646349912975	Different Group
[O14757, P00533]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c[nH]c(c4c5ccccc5)c6ccccc6)O	P00533	O14757	5.462180904926726	6.1249387366083	0.6627578316815743	Different Group
[O14757, P00533]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccc(cc6)Cl	P00533	O14757	5.357535479757878	6.251811972993799	0.8942764932359211	Different Group
[O14757, P00533]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccccc6	P00533	O14757	5.443697499232713	6.161150909262744	0.7174534100300312	Different Group
[O14965, P00533]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	O14965	5.045757490560675	4.522878745280337	0.5228787452803374	Different Group
[O14965, P00533]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	O14965	6.998856140607032	8.160579629225387	1.161723488618355	Different Group
[O14965, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P00533]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P00533]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	O14965	4.6020599913279625	4.6020599913279625	0.0	Different Group
[O14965, P00533]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	O14965	4.645365019512084	5.135985522789741	0.4906205032776567	Different Group
[O14965, P00533]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	O14965	4.638272163982407	4.795880017344075	0.15760785336166805	Different Group
[O14965, P00533]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	O14965	6.229147988357856	5.809668301829708	0.41947968652814804	Different Group
[O14965, P00533]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	O14965	6.161150909262744	5.605548319173784	0.5556025900889603	Different Group
[O14965, P00533]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P00533	O14965	5.698970004336019	5.769551078621726	0.07058107428570715	Different Group
[O14965, P00533]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	O14965	5.886056647693163	7.0	1.113943352306837	Different Group
[O14965, P00533]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	O14965	6.221848749616356	5.585026652029182	0.6368220975871743	Different Group
[O14965, P00533]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	P00533	O14965	5.5376020021010435	5.886056647693163	0.3484546455921196	Different Group
[O14965, P00533]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	O14965	5.638272163982407	5.508638306165727	0.12963385781668002	Different Group
[O14965, P00533]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	O14965	5.823908740944319	5.4089353929735005	0.4149733479708182	Different Group
[O14965, P00533]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P00533	O14965	4.0	5.872895201635193	1.8728952016351927	Different Group
[O14965, P00533]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P00533	O14965	6.568636235841013	6.6020599913279625	0.033423755486949425	Different Group
[P00533, P41279]	CC(=O)c1cc(cc2c1ncc(c2Nc3ccc(c(c3)Cl)F)C#N)NCc4c[nH]cn4	P00533	P41279	6.806875401645539	7.638272163982407	0.8313967623368681	Different Group
[P00533, P41279]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P41279	5.045757490560675	5.017728766960432	0.028028723600242778	Different Group
[P00533, P41279]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P00533	P41279	4.638272163982407	4.494850021680094	0.1434221423023132	Different Group
[P00533, P41279]	COc1cc(cc2c1ncc(c2Nc3ccc(c(c3)Cl)F)C#N)NCc4c[nH]cn4	P00533	P41279	5.681936665037238	6.886056647693163	1.204119982655925	Different Group
[P00533, P41279]	C[S+](c1cc(cc2c1ncc(c2Nc3ccc(c(c3)Cl)F)C#N)NCc4c[nH]cn4)[O-]	P00533	P41279	5.301029995663981	7.698970004336019	2.3979400086720375	Different Group
[P00533, P41279]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P41279	6.161150909262744	5.6252516539898965	0.5358992552728479	Different Group
[P00533, P41279]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	P00533	P41279	5.698970004336019	5.318758762624412	0.38021124171160636	Different Group
[P00533, P41279]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P41279	5.886056647693163	5.795880017344075	0.09017663034908807	Different Group
[P00533, P41279]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	P41279	6.221848749616356	5.886056647693163	0.3357921019231931	Different Group
[P00533, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Br)NCc4c[nH]cn4)Cl)F	P00533	P41279	5.481486060122113	8.0	2.518513939877887	Different Group
[P00533, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	P00533	P41279	5.7447274948966935	7.809894379144197	2.0651668842475033	Different Group
[P00533, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)F)NCc4c[nH]cn4)Cl)F	P00533	P41279	6.301029995663981	7.698970004336019	1.3979400086720375	Different Group
[P00533, P41279]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	P41279	5.823908740944319	5.481486060122113	0.3424226808222057	Different Group
[P00533, P41279]	c1cc2c(cc1NCc3c[nH]cn3)c(c(cn2)C#N)Nc4ccc(c(c4)Cl)F	P00533	P41279	7.522878745280337	7.710108201691595	0.18722945641125754	Different Group
[P00533, P41279]	c1cc[n+](c(c1)CNc2cc3c(c(c2)Cl)ncc(c3Nc4ccc(c(c4)Cl)F)C#N)[O-]	P00533	P41279	5.5376020021010435	7.7447274948966935	2.20712549279565	Different Group
[P00533, P15056]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	P15056	6.998856140607032	8.200030365288617	1.2011742246815853	Different Group
[P00533, P15056]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl)CCO	P00533	P15056	6.72584215073632	6.950781977329818	0.22493982659349765	Different Group
[P00533, P15056]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)Cl)F)CCO	P00533	P15056	6.782516055786093	7.657577319177793	0.8750612633917001	Different Group
[P00533, P15056]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P00533	P15056	5.453704164878557	7.4300604567993815	1.9763562919208244	Different Group
[P00533, P15056]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(cc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P00533	P15056	6.54515513999149	6.268411234813262	0.2767439051782281	Different Group
[P00533, P15056]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4cccc(c4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P00533	P15056	7.086186147616283	6.709965388637482	0.3762207589788016	Different Group
[P00533, P15056]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P00533	P15056	6.133122185662502	7.698970004336019	1.5658478186735172	Different Group
[P00533, P15056]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P00533	P15056	7.823908740944319	8.0	0.17609125905568135	Different Group
[P00533, P15056]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)Nc3c4cc(c(cc4ncn3)OC)OCCCN5CCOCC5	P00533	P15056	5.628932137728264	6.924453038607469	1.2955209008792048	Different Group
[P00533, P15056]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P15056	6.161150909262744	5.7544873321858505	0.4066635770768938	Different Group
[P00533, P15056]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P00533	P15056	7.443697499232713	6.638272163982407	0.8054253352503062	Different Group
[P00533, P15056]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Nc3c4ccc(cc4ncn3)OCCCN5CCN(CC5)CCO	P00533	P15056	7.00436480540245	6.995678626217358	0.008686179185092513	Different Group
[P00533, P15056]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)F)Nc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P00533	P15056	5.4795164672592085	7.142667503568732	1.6631510363095234	Different Group
[P00533, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P00533	P54760	5.045757490560675	4.698970004336019	0.34678748622465605	Different Family
[P00533, P54760]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P00533	P54760	5.00436480540245	5.4089353929735005	0.40457058757105013	Different Family
[P00533, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	P54760	4.6020599913279625	5.080921907623926	0.47886191629596375	Different Family
[P00533, P54760]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P00533	P54760	4.645365019512084	5.044154920623069	0.3987899011109848	Different Family
[P00533, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P00533	P54760	4.657577319177793	4.356547323513813	0.30102999566398037	Different Family
[P00533, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P00533	P54760	4.853871964321762	4.431798275933005	0.4220736883887568	Different Family
[P00533, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P00533	P54760	6.015472686656207	7.1938200260161125	1.178347339359905	Different Family
[P00533, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P00533	P54760	6.161150909262744	5.73754891026957	0.4236019989931741	Different Family
[P00533, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P00533	P54760	5.886056647693163	5.468521082957745	0.4175355647354184	Different Family
[P00533, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P00533	P54760	6.221848749616356	5.468521082957745	0.7533276666586115	Different Family
[P00533, P54760]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	P54760	5.638272163982407	8.301029995663981	2.6627578316815743	Different Family
[P00533, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P00533	P54760	5.823908740944319	5.113509274827518	0.7103994661168009	Different Family
[P00533, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P00533	P54760	5.337242168318426	5.638272163982407	0.30102999566398125	Different Family
[P00533, Q06187]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P00533	Q06187	6.998856140607032	7.187086643357144	0.18823050275011255	Different Family
[P00533, Q06187]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P00533	Q06187	6.199998172182031	6.499996931948306	0.2999987597662752	Different Family
[P00533, Q06187]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P00533	Q06187	5.453704164878557	7.173925197299173	1.720221032420616	Different Family
[P00533, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P00533	Q06187	4.522878745280337	4.590574131328557	0.06769538604821967	Different Family
[P00533, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P00533	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P00533	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P00533, Q06187]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P00533	Q06187	6.388276691992658	6.100179497572904	0.28809719441975457	Different Family
[P00533, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P00533	Q06187	4.6020599913279625	4.6020599913279625	0.0	Different Family
[P00533, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P00533	Q06187	6.045757490560675	5.473660722610156	0.5720967679505184	Different Family
[P00533, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P00533	Q06187	6.229147988357856	6.022276394711152	0.20687159364670382	Different Family
[P00533, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	Q06187	7.958607314841775	8.075161011423816	0.11655369658204151	Different Family
[P00533, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P00533	Q06187	8.154901959985743	7.886056647693163	0.26884531229258	Different Family
[P00533, Q06187]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P00533	Q06187	6.7447274948966935	8.301029995663981	1.5563025007672877	Different Family
[P00533, Q06187]	c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	P00533	Q06187	5.26874171439487	6.0	0.7312582856051302	Different Family
[P00533, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P00533	Q06187	5.638272163982407	6.236572006437063	0.5982998424546562	Different Family
[P00533, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P00533	Q06187	5.2839966563652006	5.119186407719209	0.16481024864599192	Different Family
[P07949, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	P52333	7.337242168318426	7.056754637413759	0.2804875309046668	Different Family
[P07949, P52333]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	P52333	6.405607449624573	6.45717457304082	0.05156712341624736	Different Family
[P07949, P52333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P52333	5.080921907623926	4.6020599913279625	0.47886191629596375	Different Family
[P07949, P52333]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)O	P07949	P52333	6.142667503568732	5.040958607678906	1.1017088958898258	Different Family
[P07949, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P07949	P52333	7.168770306132937	7.107237765384183	0.06153254074875392	Different Family
[P07949, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P07949	P52333	5.018000285870122	6.320481256304211	1.3024809704340887	Different Family
[P07949, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P52333	6.017728766960431	5.101274818410507	0.9164539485499246	Different Family
[P07949, P52333]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P07949	P52333	7.721246399047171	7.823908740944319	0.10266234189714751	Different Family
[P07949, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	P52333	9.698970004336019	7.2403321553103694	2.4586378490256493	Different Family
[P07949, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	P52333	8.096910013008056	5.142667503568732	2.9542425094393243	Different Family
[P06239, P07949]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P07949	P06239	5.221848749616356	5.050609993355088	0.1712387562612685	Different Family
[P06239, P07949]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cccc(c5F)OCC6CCCO6	P07949	P06239	5.031517051446065	5.309803919971486	0.27828686852542095	Different Family
[P06239, P07949]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	P07949	P06239	7.468521082957745	5.958607314841775	1.50991376811597	Different Family
[P06239, P07949]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P07949	P06239	8.397940008672037	6.920818753952375	1.4771212547196626	Different Family
[P06239, P07949]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P07949	P06239	6.522878745280337	6.443697499232713	0.07918124604762422	Different Family
[P06239, P07949]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P07949	P06239	7.267606240177032	5.218244625347531	2.0493616148295004	Different Family
[P06239, P07949]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P07949	P06239	7.136677139879544	6.0	1.136677139879544	Different Family
[P06239, P07949]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P06239	7.6020599913279625	6.481486060122113	1.1205739312058496	Different Family
[P06239, P07949]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P07949	P06239	6.823908740944319	5.958607314841775	0.865301426102544	Different Family
[P06239, P07949]	CC1(CCC(O1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6)C	P07949	P06239	6.013228265733755	5.130768280269024	0.882459985464731	Different Family
[P06239, P07949]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P07949	P06239	8.301029995663981	8.154901959985743	0.14612803567823818	Different Family
[P06239, P07949]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	P06239	8.221848749616356	7.301029995663981	0.9208187539523749	Different Family
[P06239, P07949]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P07949	P06239	7.508638306165727	6.809668301829708	0.6989700043360187	Different Family
[P06239, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P06239	5.080921907623926	5.958607314841775	0.8776854072178484	Different Family
[P06239, P07949]	COc1cc2c(cc1OC)ncnc2Nc3ccccc3	P07949	P06239	5.769551078621726	5.0	0.7695510786217259	Different Family
[P06239, P07949]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P07949	P06239	8.397940008672037	6.853871964321762	1.5440680443502757	Different Family
[P06239, P07949]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P06239	7.6020599913279625	6.920818753952375	0.6812412373755876	Different Family
[P06239, P07949]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	P06239	7.1249387366083	6.4089353929735005	0.7160033436347994	Different Family
[P06239, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P06239	6.017728766960431	6.212221349969987	0.19449258300955563	Different Family
[P06239, P07949]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P07949	P06239	7.721246399047171	6.667561540084395	1.053684858962776	Different Family
[P06239, P07949]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07949	P06239	5.721246399047171	3.3010299956639813	2.42021640338319	Different Family
[P06239, P07949]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P07949	P06239	7.958607314841775	6.711541522017397	1.2470657928243778	Different Family
[P06239, P07949]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07949	P06239	6.363512103646634	9.397940008672037	3.034427905025403	Different Family
[P06239, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P06239	5.221848749616356	5.2839966563652006	0.062147906748844406	Different Family
[P06239, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P06239	5.431798275933005	5.522878745280337	0.09108046934733238	Different Family
[P06239, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	P06239	8.096910013008056	6.161150909262744	1.935759103745312	Different Family
[P06239, P07949]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P06239	5.356547323513812	5.050609993355088	0.3059373301587245	Different Family
[P06239, P07949]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P06239	6.853871964321762	6.7447274948966935	0.10914446942506828	Different Family
[P06239, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P06239	5.309803919971486	5.698970004336019	0.3891660843645326	Different Family
[P06239, P07949]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P06239	5.481486060122113	5.251811972993799	0.2296740871283136	Different Family
[P07949, P12931]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	P12931	8.301029995663981	7.431798275933005	0.8692317197309762	Different Family
[P07949, P12931]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P07949	P12931	8.389423339022647	7.122628654130226	1.266794684892421	Different Family
[P07949, P12931]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P07949	P12931	6.223298816011589	5.610568183714541	0.6127306322970476	Different Family
[P07949, P12931]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P07949	P12931	6.539102157243452	7.568636235841013	1.0295340785975613	Different Family
[P07949, P12931]	CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2	P07949	P12931	6.113509274827518	7.136677139879544	1.0231678650520264	Different Family
[P07949, P12931]	CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	P07949	P12931	7.07860800348583	7.0435171896479485	0.03509081383788182	Different Family
[P07949, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P12931	5.080921907623926	5.2403321553103694	0.15941024768644318	Different Family
[P07949, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P12931	6.017728766960431	5.771086594005312	0.24664217295511914	Different Family
[P07949, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07949	P12931	5.721246399047171	4.301029995663981	1.4202164033831899	Different Family
[P07949, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P07949	P12931	5.181510177795786	6.8996294548824375	1.7181192770866511	Different Family
[P07949, P12931]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	P12931	9.698970004336019	8.397940008672037	1.3010299956639813	Different Family
[P07949, P12931]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P07949	P12931	7.529090297916843	8.522878745280337	0.9937884473634941	Different Family
[P07949, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07949	P12931	6.363512103646634	9.41195437047216	3.048442266825525	Different Family
[P07949, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P12931	5.221848749616356	5.337242168318426	0.11539341870206954	Different Family
[P07949, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P12931	5.431798275933005	5.6020599913279625	0.1702617153949575	Different Family
[P07949, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P12931	5.309803919971486	5.337242168318426	0.02743824834693953	Different Family
[P07949, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P12931	5.481486060122113	5.3979400086720375	0.08354605145007543	Different Family
[P07949, P22607]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	P22607	8.301029995663981	7.050609993355087	1.2504200023088945	Different Family
[P07949, P22607]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	P22607	8.497903821870143	7.8970190884701825	0.6008847333999601	Different Family
[P07949, P22607]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P22607	6.017728766960431	6.366531544420414	0.34880277745998267	Different Family
[P07949, P22607]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P07949	P22607	7.721246399047171	6.939302159646388	0.781944239400783	Different Family
[P07949, P22607]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	P22607	9.698970004336019	7.978810700930062	1.720159303405957	Different Family
[P07949, P22607]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	P22607	6.1938200260161125	7.301029995663981	1.1072099696478688	Different Family
[P07949, P22607]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P22607	5.221848749616356	5.301029995663981	0.07918124604762511	Different Family
[P07949, P22607]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P22607	5.431798275933005	5.309803919971486	0.12199435596151886	Different Family
[P07949, P22607]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P22607	5.309803919971486	5.4089353929735005	0.0991314730020143	Different Family
[P07949, P22607]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	P22607	5.096910013008056	5.022276394711152	0.07463361829690385	Different Family
[P07949, P35968]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	P07949	P35968	7.468521082957745	7.060480747381382	0.4080403355763629	Different Family
[P07949, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P07949	P35968	8.397940008672037	7.698970004336019	0.6989700043360187	Different Family
[P07949, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P07949	P35968	6.522878745280337	6.494850021680094	0.028028723600243666	Different Family
[P07949, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P07949	P35968	7.267606240177032	6.6777807052660805	0.5898255349109514	Different Family
[P07949, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P07949	P35968	7.136677139879544	7.221848749616356	0.08517160973681204	Different Family
[P07949, P35968]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P35968	7.6020599913279625	8.154901959985743	0.5528419686577806	Different Family
[P07949, P35968]	CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P07949	P35968	7.1938200260161125	6.017728766960432	1.1760912590556805	Different Family
[P07949, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P07949	P35968	6.006123085058789	5.609418121449565	0.39670496360922414	Different Family
[P07949, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccc(cc4)S(=O)(=O)C	P07949	P35968	6.6777807052660805	5.318758762624412	1.359021942641668	Different Family
[P07949, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4cnn(c4)C	P07949	P35968	6.481486060122113	5.853871964321762	0.6276140958003511	Different Family
[P07949, P35968]	CC(C)(C)c1cc(on1)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P07949	P35968	7.200659450546419	6.0	1.2006594505464188	Different Family
[P07949, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	P35968	8.301029995663981	8.397940008672037	0.09691001300805624	Different Family
[P07949, P35968]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P07949	P35968	6.823908740944319	6.045757490560675	0.7781512503836439	Different Family
[P07949, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	P35968	7.337242168318426	7.657577319177793	0.3203351508593677	Different Family
[P07949, P35968]	CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	P07949	P35968	7.113106777509403	8.522878745280337	1.4097719677709346	Different Family
[P07949, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P07949	P35968	8.389423339022647	6.982966660701219	1.4064566783214278	Different Family
[P07949, P35968]	CC1Cc2c(ncnc2Oc3ccc4c(c3)ccn4C(=O)Nc5cc([nH]n5)C6(CC6)C)CN1	P07949	P35968	7.180456064458132	8.571333751784366	1.3908776873262338	Different Family
[P07949, P35968]	CCN(CC)CCNC(=O)c1c([nH]c2c1CCCC2=C3c4cc(ccc4NC3=O)F)C	P07949	P35968	8.886056647693163	8.638272163982407	0.24778448371075612	Different Family
[P07949, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P07949	P35968	8.154901959985743	7.619788758288394	0.5351132016973494	Different Family
[P07949, P35968]	CN(c1cccc(c1)O)c2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	6.6777807052660805	5.376750709602099	1.3010299956639813	Different Family
[P07949, P35968]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P07949	P35968	8.301029995663981	8.522878745280337	0.22184874961635614	Different Family
[P07949, P35968]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	P35968	8.221848749616356	8.221848749616356	0.0	Different Family
[P07949, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P07949	P35968	9.0	7.6777807052660805	1.3222192947339195	Different Family
[P07949, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P07949	P35968	7.508638306165727	6.364516253185088	1.1441220529806388	Different Family
[P07949, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P35968	5.080921907623926	5.107905397309519	0.026983489685592943	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2N3CCc4c3cccc4O	P07949	P35968	7.221848749616356	5.022276394711152	2.1995723549052038	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3c(ccc(c3Cl)O)Cl	P07949	P35968	8.013228265733755	5.853871964321762	2.159356301411993	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3c(ccc(c3Cl)O)F	P07949	P35968	8.4089353929735	5.613106777509403	2.7958286154640977	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3c(ccc(c3F)O)Cl	P07949	P35968	8.318758762624412	6.179759281514789	2.1389994811096233	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cc(c(cc3F)F)O	P07949	P35968	9.387216143280265	7.601366229584642	1.785849913695623	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cc(cc(c3)F)O	P07949	P35968	8.585026652029182	6.882741358243656	1.7022852937855255	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3Cl)O	P07949	P35968	8.585026652029182	6.8842652047846595	1.7007614472445223	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cc(ccc3F)O	P07949	P35968	8.958607314841775	7.353871964321762	1.6047353505200128	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)O)Cl	P07949	P35968	8.0	7.097589660639419	0.9024103393605811	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)O)F	P07949	P35968	8.494850021680094	6.7931825014007226	1.7016675202793712	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)O	P07949	P35968	6.142667503568732	5.552841968657781	0.5898255349109514	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Br	P07949	P35968	7.0	5.88578674206852	1.11421325793148	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccc4cn[nH]c4c3	P07949	P35968	6.552841968657781	5.2839966563652006	1.26884531229258	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)N	P07949	P35968	6.229147988357856	5.119186407719209	1.1099615806386476	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3Br)O	P07949	P35968	7.638272163982407	5.3872161432802645	2.2510560207021424	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3Cl)O	P07949	P35968	7.721246399047171	5.6020599913279625	2.1191864077192086	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3F)O	P07949	P35968	8.0	6.219449308175472	1.7805506918245282	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3O)O	P07949	P35968	8.4089353929735	5.441198654154958	2.9677367388185427	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccccc3	P07949	P35968	5.769551078621726	5.154901959985743	0.6146491186359828	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Oc3cccc(c3)O	P07949	P35968	7.795880017344075	6.449814727441218	1.3460652899028567	Different Family
[P07949, P35968]	COc1cc2c(cc1OC)ncnc2Sc3cccc(c3)O	P07949	P35968	7.638272163982407	6.2508447231052	1.3874274408772074	Different Family
[P07949, P35968]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cnn(c4ncn3)CCc5ccccc5	P07949	P35968	4.617982957425132	5.575118363368933	0.9571354059438013	Different Family
[P07949, P35968]	COc1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cnn(c4ncn3)CCc5ccccc5	P07949	P35968	5.033389013318065	5.962573502059376	0.9291844887413108	Different Family
[P07949, P35968]	COc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)CNc3c4cnn(c4ncn3)CCc5ccccc5	P07949	P35968	4.242603971206976	5.412289034981089	1.1696850637741125	Different Family
[P07949, P35968]	COc1ccc(cc1O)Nc2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	7.958607314841775	6.822657723022635	1.1359495918191396	Different Family
[P07949, P35968]	COc1ccc(cc1OC)C(=O)Nc2cccc(c2)CNc3c4cnn(c4ncn3)CCc5ccccc5	P07949	P35968	4.55129368009492	5.692503962086787	1.1412102819918672	Different Family
[P07949, P35968]	COc1ccc(cc1OC)NC(=O)Nc2cccc(c2)CNc3c4cnn(c4ncn3)CCc5ccccc5	P07949	P35968	4.815308569182402	5.485452247339714	0.670143678157312	Different Family
[P07949, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P07949	P35968	8.397940008672037	8.096910013008056	0.30102999566398125	Different Family
[P07949, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P35968	7.6020599913279625	8.301029995663981	0.6989700043360187	Different Family
[P07949, P35968]	COc1cccc(c1)Nc2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	5.920818753952375	5.318758762624412	0.6020599913279625	Different Family
[P07949, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccc(c5)F	P07949	P35968	7.642065152999546	8.920818753952375	1.2787536009528289	Different Family
[P07949, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5ccccc5	P07949	P35968	7.22767829327708	9.301029995663981	2.0733517023869013	Different Family
[P07949, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc4c(c3)cccc4C(=O)Nc5cccnc5	P07949	P35968	6.777023550106609	9.301029995663981	2.5240064455573723	Different Family
[P07949, P35968]	Cc1c(cc(cc1O)F)Nc2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	7.6777807052660805	5.229147988357856	2.4486327169082243	Different Family
[P07949, P35968]	Cc1c(ccc(c1Nc2c3cc(c(cc3ncn2)OC)OC)F)O	P07949	P35968	7.356547323513813	5.2441251443275085	2.1124221791863045	Different Family
[P07949, P35968]	Cc1c(ccc(c1Nc2c3cc(c(cc3ncn2)OCC4CCN(CC4)C)OC)F)O	P07949	P35968	7.107905397309519	5.251811972993799	1.8560934243157199	Different Family
[P07949, P35968]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P07949	P35968	7.168770306132937	6.71681189828049	0.45195840785244723	Different Family
[P07949, P35968]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P07949	P35968	5.018000285870122	6.0	0.981999714129878	Different Family
[P07949, P35968]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	P35968	7.1249387366083	7.795880017344075	0.6709412807357751	Different Family
[P07949, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P35968	6.017728766960431	5.375717904164332	0.6420108627960994	Different Family
[P07949, P35968]	Cc1cc(c(cc1O)Nc2c3cc(c(cc3ncn2)OC)OC)Cl	P07949	P35968	7.886056647693163	7.769551078621726	0.11650556907143717	Different Family
[P07949, P35968]	Cc1cc(c(cc1O)Nc2c3cc(c(cc3ncn2)OC)OC)F	P07949	P35968	9.1249387366083	8.33027427934678	0.7946644572615202	Different Family
[P07949, P35968]	Cc1cc(cc(c1)O)Nc2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	7.5376020021010435	6.18837535480105	1.3492266472999939	Different Family
[P07949, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07949	P35968	5.721246399047171	8.349680610785484	2.6284342117383126	Different Family
[P07949, P35968]	Cc1ccc(c(c1O)Cl)Nc2c3cc(c(cc3ncn2)OC)OC	P07949	P35968	8.031517051446064	6.221848749616356	1.8096683018297082	Different Family
[P07949, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P07949	P35968	7.958607314841775	5.795880017344075	2.1627272974976997	Different Family
[P07949, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	P35968	9.698970004336019	8.638272163982407	1.0606978403536118	Different Family
[P07949, P35968]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P07949	P35968	7.529090297916843	8.56804131152107	1.0389510136042261	Different Family
[P07949, P35968]	Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OC)O	P07949	P35968	8.075720713938118	6.324875990832918	1.7508447231051996	Different Family
[P07949, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	P35968	6.1938200260161125	7.356547323513813	1.1627272974977005	Different Family
[P07949, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P35968	5.221848749616356	5.301029995663981	0.07918124604762511	Different Family
[P07949, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P35968	5.431798275933005	6.0	0.568201724066995	Different Family
[P07949, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	P35968	8.096910013008056	6.356547323513812	1.740362689494244	Different Family
[P07949, P35968]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P35968	5.356547323513812	5.180456064458132	0.17609125905568046	Different Family
[P07949, P35968]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	P35968	6.853871964321762	7.080921907623926	0.22704994330216444	Different Family
[P07949, P35968]	c1cc2c(ccn2C(=O)Nc3cc(on3)C4CC4)cc1Oc5c6c(ncn5)CNC6	P07949	P35968	6.301029995663981	7.486121397654723	1.185091401990742	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)Cc5ccccc5	P07949	P35968	4.645891560852599	5.1904402853647325	0.5445487245121337	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)NCc5ccccc5	P07949	P35968	4.987162775294828	5.17134010346468	0.18417732816985222	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)Nc5ccc(cc5)Br	P07949	P35968	5.042392712939905	5.468521082957745	0.42612837001783976	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)Nc5ccc(cc5)F	P07949	P35968	5.318758762624412	5.498940737782249	0.1801819751578364	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)Nc5ccccc5	P07949	P35968	5.152427340857888	5.665546248849069	0.5131189079911813	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)c5ccc(cc5)Br	P07949	P35968	5.370590400897281	5.458420756053419	0.08783035515613857	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)c5ccc(cc5)F	P07949	P35968	5.015922966097169	5.270025714300444	0.25410274820327494	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)c5ccc(cc5)[N+](=O)[O-]	P07949	P35968	4.767003889607846	5.482804102050026	0.7158002124421801	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NC(=O)c5ccccc5	P07949	P35968	4.649751981665837	5.0670191780768015	0.41726719641096466	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NS(=O)(=O)Cc5ccccc5	P07949	P35968	4.23210238398191	5.651695136951839	1.4195927529699297	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NS(=O)(=O)c5ccc(cc5)Br	P07949	P35968	4.891096872332686	5.31069114087638	0.41959426854369397	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NS(=O)(=O)c5ccc(cc5)F	P07949	P35968	5.316052869248487	5.539102157243452	0.22304928799496437	Different Family
[P07949, P35968]	c1ccc(cc1)CCn2c3c(cn2)c(ncn3)NCc4cccc(c4)NS(=O)(=O)c5ccccc5	P07949	P35968	5.102372908709558	5.304518323509803	0.20214541480024462	Different Family
[P07949, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P35968	5.309803919971486	5.3872161432802645	0.0774122233087784	Different Family
[P07949, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P35968	5.481486060122113	5.1487416512809245	0.3327444088411884	Different Family
[P07949, P35968]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P07949	P35968	7.694648630553377	8.934833115752497	1.2401844851991202	Different Family
[P07949, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	P35968	5.096910013008056	5.187086643357144	0.09017663034908807	Different Family
[P07949, P43403]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	P43403	8.497903821870143	7.275724130399211	1.2221796914709318	Different Family
[P07949, P43403]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P43403	5.080921907623926	4.6020599913279625	0.47886191629596375	Different Family
[P07949, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P07949	P43403	7.168770306132937	4.268814292366	2.8999560137669373	Different Family
[P07949, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P07949	P43403	5.018000285870122	4.134185619832032	0.8838146660380897	Different Family
[P07949, P43403]	Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C	P07949	P43403	6.769551078621726	4.684029654543083	2.0855214240786433	Different Family
[P07949, P43403]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P43403	6.017728766960431	5.013228265733755	1.0045005012266763	Different Family
[P07949, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P43403	5.221848749616356	5.259637310505756	0.03778856088939975	Different Family
[P07949, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P43403	5.431798275933005	5.2839966563652006	0.14780161956780447	Different Family
[P07949, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P07949	P43403	7.698970004336019	6.876148359032914	0.8228216453031045	Different Family
[P07949, P43403]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P43403	5.309803919971486	5.1938200260161125	0.11598389395537367	Different Family
[P04629, P07949]	CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P07949	P04629	7.1938200260161125	7.920818753952375	0.7269987279362624	Different Family
[P04629, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccc(cc4)F	P07949	P04629	7.251811972993799	7.657577319177793	0.40576534618399407	Different Family
[P04629, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccc(cc4)OC	P07949	P04629	6.853871964321762	7.327902142064283	0.4740301777425211	Different Family
[P04629, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccc(cc4)S(=O)(=O)C	P07949	P04629	6.6777807052660805	7.036212172654444	0.35843146738836396	Different Family
[P04629, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccsc4	P07949	P04629	6.920818753952375	7.4089353929735005	0.48811663902112556	Different Family
[P04629, P07949]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4cnn(c4)C	P07949	P04629	6.481486060122113	7.619788758288394	1.1383026981662807	Different Family
[P04629, P07949]	CC(C)(C)c1cc(on1)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P07949	P04629	7.200659450546419	8.301029995663981	1.1003705451175625	Different Family
[P04629, P07949]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	P04629	8.301029995663981	8.522878745280337	0.22184874961635614	Different Family
[P04629, P07949]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	P04629	7.337242168318426	7.455931955649724	0.11868978733129865	Different Family
[P04629, P07949]	CN(C)CCC=C1c2ccccc2CCc3c1cccc3	P07949	P04629	6.0	4.221848749616356	1.7781512503836439	Different Family
[P04629, P07949]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	P04629	6.405607449624573	8.761439372640169	2.3558319230155957	Different Family
[P04629, P07949]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P07949	P04629	7.508638306165727	7.522878745280337	0.014240439114610481	Different Family
[P04629, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P04629	5.080921907623926	5.080921907623926	0.0	Different Family
[P04629, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P04629	6.017728766960431	5.56431486205837	0.4534139049020611	Different Family
[P04629, P07949]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P07949	P04629	7.721246399047171	8.522878745280337	0.8016323462331663	Different Family
[P04629, P07949]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	P04629	6.1938200260161125	7.337242168318426	1.1434221423023132	Different Family
[P04629, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P04629	5.221848749616356	8.306939584650792	3.0850908350344355	Different Family
[P04629, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P04629	5.431798275933005	9.0	3.568201724066995	Different Family
[P04629, P07949]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P07949	P04629	7.823908740944319	6.086716098239582	1.7371926427047368	Different Family
[P04629, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P04629	5.309803919971486	6.070581074285707	0.760777154314221	Different Family
[P04629, P07949]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	P04629	5.096910013008056	8.522878745280337	3.425968732272281	Different Family
[O60674, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	O60674	8.497903821870143	9.060955120789046	0.5630512989189036	Different Family
[O60674, P07949]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	O60674	6.405607449624573	7.3979400086720375	0.9923325590474645	Different Family
[O60674, P07949]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P07949	O60674	7.168770306132937	3.95116991347165	3.217600392661287	Different Family
[O60674, P07949]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P07949	O60674	5.018000285870122	3.7894139750948437	1.2285863107752784	Different Family
[O60674, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	O60674	6.017728766960431	5.940108206919151	0.07762056004128048	Different Family
[O60674, P07949]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	O60674	9.698970004336019	6.27083521030723	3.4281347940287885	Different Family
[O60674, P07949]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	O60674	6.1938200260161125	6.638272163982407	0.44445213796629446	Different Family
[O60674, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	O60674	5.221848749616356	5.251811972993799	0.02996322337744317	Different Family
[O60674, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	O60674	5.431798275933005	5.568636235841013	0.13683795990800807	Different Family
[O60674, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	O60674	8.096910013008056	5.958607314841775	2.1383026981662816	Different Family
[O60674, P07949]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P07949	O60674	7.698970004336019	6.978810700930062	0.720159303405957	Different Family
[O60674, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	O60674	5.309803919971486	5.327902142064283	0.018098222092796767	Different Family
[O60674, P07949]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	O60674	5.096910013008056	5.173925197299174	0.07701518429111776	Different Family
[P07949, P11362]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	P11362	8.301029995663981	7.886056647693163	0.4149733479708182	Different Family
[P07949, P11362]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P07949	P11362	6.6777807052660805	5.458420756053419	1.2193599492126612	Different Family
[P07949, P11362]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	P11362	7.337242168318426	7.301029995663981	0.03621217265444443	Different Family
[P07949, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	P11362	8.497903821870143	8.200659450546418	0.2972443713237247	Different Family
[P07949, P11362]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P07949	P11362	7.508638306165727	7.327902142064283	0.180736164101444	Different Family
[P07949, P11362]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P07949	P11362	8.221848749616356	8.334419008982048	0.11257025936569143	Different Family
[P07949, P11362]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07949	P11362	8.0	6.6020599913279625	1.3979400086720375	Different Family
[P07949, P11362]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P07949	P11362	9.698970004336019	8.744727494896694	0.9542425094393252	Different Family
[P07949, P11362]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P07949	P11362	7.529090297916843	9.154901959985743	1.6258116620688998	Different Family
[P07949, P11362]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07949	P11362	6.363512103646634	6.055517327849832	0.3079947757968027	Different Family
[P07949, P11362]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	P11362	6.1938200260161125	7.187086643357144	0.9932666173410318	Different Family
[P07949, P11362]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P07949	P11362	7.823908740944319	6.756961951313706	1.066946789630613	Different Family
[P07949, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P11362	5.481486060122113	5.366531544420414	0.11495451570169912	Different Family
[P07949, P11362]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P07949	P11362	7.694648630553377	6.1913164908710305	1.503332139682346	Different Family
[P07949, P08581]	CC(Cc1c(c(cc(c1F)F)F)F)Nc2cc[nH]c(=O)c2c3[nH]c4cc5c(cc4n3)C(=O)N(C5=O)CCN(C)C	P07949	P08581	7.588043762069598	7.85294232897164	0.2648985669020414	Different Family
[P07949, P08581]	CC(Cc1cc(ccc1F)F)Nc2cc[nH]c(=O)c2c3[nH]c4cc5c(cc4n3)CN(C5=O)CCN(C)C	P07949	P08581	7.883724412419456	5.698970004336019	2.184754408083437	Different Family
[P07949, P08581]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	P07949	P08581	6.6777807052660805	7.330971062290121	0.6531903570240409	Different Family
[P07949, P08581]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P07949	P08581	6.3977953161789305	5.349485002168009	1.0483103140109211	Different Family
[P07949, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P08581	5.080921907623926	4.6020599913279625	0.47886191629596375	Different Family
[P07949, P08581]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P08581	6.017728766960431	5.6860800803851195	0.33164868657531166	Different Family
[P07949, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P08581	5.221848749616356	5.2441251443275085	0.022276394711152392	Different Family
[P07949, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P08581	5.431798275933005	5.366531544420414	0.06526673151259121	Different Family
[P07949, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P08581	5.309803919971486	5.292429823902063	0.017374096069422862	Different Family
[P07949, P08581]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	P08581	5.096910013008056	5.113509274827518	0.016599261819461475	Different Family
[P07948, P07949]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P07949	P07948	5.221848749616356	5.008773924307505	0.21307482530885125	Different Family
[P07948, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	P07948	8.497903821870143	8.781918676479622	0.2840148546094792	Different Family
[P07948, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	P07948	5.080921907623926	5.309803919971486	0.2288820123475599	Different Family
[P07948, P07949]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	P07948	6.017728766960431	5.856430705489719	0.16129806147071246	Different Family
[P07948, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	P07948	5.221848749616356	5.309803919971486	0.08795517035513001	Different Family
[P07948, P07949]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	P07948	5.431798275933005	5.468521082957745	0.03672280702473962	Different Family
[P07948, P07949]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P07949	P07948	7.698970004336019	6.950781977329818	0.7481880270062007	Different Family
[P07948, P07949]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	P07948	5.309803919971486	5.1249387366083	0.18486518336318625	Different Family
[P07948, P07949]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P07949	P07948	5.481486060122113	5.853871964321762	0.3723859041996489	Different Family
[P07948, P07949]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	P07948	5.096910013008056	5.1938200260161125	0.09691001300805624	Different Family
[P07949, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P07949	Q9UM73	8.397940008672037	5.795880017344075	2.6020599913279625	Different Group
[P07949, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P07949	Q9UM73	6.522878745280337	5.022276394711152	1.500602350569185	Different Group
[P07949, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P07949	Q9UM73	7.267606240177032	5.823908740944319	1.4436974992327132	Different Group
[P07949, Q9UM73]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	Q9UM73	7.6020599913279625	6.6777807052660805	0.924279286061882	Different Group
[P07949, Q9UM73]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	Q9UM73	8.301029995663981	6.87942606879415	1.4216039268698308	Different Group
[P07949, Q9UM73]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P07949	Q9UM73	6.823908740944319	5.481486060122113	1.3424226808222057	Different Group
[P07949, Q9UM73]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	Q9UM73	7.337242168318426	7.301029995663981	0.03621217265444443	Different Group
[P07949, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	Q9UM73	8.497903821870143	7.948515197953478	0.5493886239166645	Different Group
[P07949, Q9UM73]	CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C	P07949	Q9UM73	8.318758762624412	7.826234990249595	0.4925237723748177	Different Group
[P07949, Q9UM73]	CCc1cc2c(cc1c3cnn(c3)CC(=O)N(C)C)C(c4c(c5ccc(cc5[nH]4)C#N)C2=O)(C)C	P07949	Q9UM73	8.109918048975292	7.926734438996277	0.1831836099790145	Different Group
[P07949, Q9UM73]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P07949	Q9UM73	8.301029995663981	7.119186407719209	1.1818435879447726	Different Group
[P07949, Q9UM73]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	Q9UM73	8.221848749616356	6.259637310505756	1.9622114391106003	Different Group
[P07949, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	Q9UM73	6.405607449624573	7.590228032229065	1.1846205826044924	Different Group
[P07949, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P07949	Q9UM73	8.397940008672037	6.431798275933005	1.9661417327390325	Different Group
[P07949, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P07949	Q9UM73	7.6020599913279625	6.180456064458132	1.4216039268698308	Different Group
[P07949, Q9UM73]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P07949	Q9UM73	7.1249387366083	5.853871964321762	1.271066772286538	Different Group
[P07949, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	Q9UM73	5.221848749616356	5.465907069126919	0.24405831951056278	Different Group
[P07949, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	Q9UM73	5.431798275933005	5.789198036565084	0.3573997606320791	Different Group
[P07949, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	Q9UM73	8.096910013008056	6.119186407719209	1.9777236052888476	Different Group
[P07949, Q9UM73]	c1cc(ccc1C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N)Cl	P07949	Q9UM73	6.161150909262744	5.013228265733755	1.1479226435289895	Different Group
[P07949, Q9UM73]	c1cc(sc1)c2c3c(nc(c2C#N)SCc4ccc(cc4)F)CCCC3	P07949	Q9UM73	5.318758762624412	5.3979400086720375	0.07918124604762511	Different Group
[P07949, Q9UM73]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P07949	Q9UM73	7.698970004336019	7.154901959985743	0.5440680443502757	Different Group
[P07949, Q9UM73]	c1ccc(cc1)C(=O)CSc2c(c(c(c(n2)N)C#N)c3ccsc3)C#N	P07949	Q9UM73	5.468521082957745	5.769551078621726	0.30102999566398125	Different Group
[P07949, Q9UM73]	c1ccc(cc1)C(=O)CSc2c(c(c3c(n2)CCCC3)c4ccsc4)C#N	P07949	Q9UM73	5.638272163982407	4.455931955649724	1.1823402083326826	Different Group
[P07949, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	Q9UM73	5.309803919971486	5.41369853439507	0.1038946144235835	Different Group
[P07949, Q9UM73]	c1ccc(cc1)CSc2c(c(c3c(n2)CCCC3)c4cccs4)C#N	P07949	Q9UM73	5.795880017344075	5.6777807052660805	0.11809931207799451	Different Group
[P07949, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	Q9UM73	5.096910013008056	5.200659450546418	0.10374943753836163	Different Group
[O14965, P07949]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	O14965	8.301029995663981	7.376750709602099	0.924279286061882	Different Group
[O14965, P07949]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P07949	O14965	7.337242168318426	7.236572006437063	0.10067016188136257	Different Group
[O14965, P07949]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	O14965	8.497903821870143	8.160579629225387	0.3373241926447559	Different Group
[O14965, P07949]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	O14965	6.405607449624573	6.667561540084395	0.2619540904598221	Different Group
[O14965, P07949]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P07949	O14965	8.221848749616356	5.42021640338319	2.8016323462331663	Different Group
[O14965, P07949]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07949	O14965	5.080921907623926	4.6020599913279625	0.47886191629596375	Different Group
[O14965, P07949]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P07949	O14965	5.721246399047171	6.119186407719209	0.3979400086720375	Different Group
[O14965, P07949]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	O14965	6.1938200260161125	6.537602002101044	0.3437819760849319	Different Group
[O14965, P07949]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P07949	O14965	8.096910013008056	5.508638306165727	2.5882717068423293	Different Group
[O14965, P07949]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P07949	O14965	7.823908740944319	8.397940008672037	0.5740312677277188	Different Group
[O14965, P07949]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	P07949	O14965	6.151195298948196	9.522878745280337	3.371683446332141	Different Group
[P07949, Q16620]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P07949	Q16620	8.301029995663981	8.301029995663981	0.0	Different Family
[P07949, Q16620]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P07949	Q16620	8.497903821870143	8.682258126592544	0.184354304722401	Different Family
[P07949, Q16620]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P07949	Q16620	6.405607449624573	8.522878745280337	2.1172712956557644	Different Family
[P07949, Q16620]	CNc1cc2ccc(cc2cn1)C#CCOc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	P07949	Q16620	8.0	6.721246399047171	1.2787536009528289	Different Family
[P07949, Q16620]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07949	Q16620	6.017728766960431	5.737786294523583	0.279942472436848	Different Family
[P07949, Q16620]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P07949	Q16620	6.1938200260161125	7.214670164989233	1.0208501389731204	Different Family
[P07949, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07949	Q16620	5.221848749616356	8.397940008672037	3.1760912590556813	Different Family
[P07949, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07949	Q16620	5.431798275933005	9.0	3.568201724066995	Different Family
[P07949, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07949	Q16620	5.309803919971486	6.82477907173247	1.514975151760984	Different Family
[P07949, Q16620]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07949	Q16620	5.096910013008056	9.0	3.9030899869919438	Different Family
[P07947, P11309]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P07947	P11309	4.656394491895829	4.7848914189469065	0.12849692705107785	Different Group
[P07947, P11309]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P11309	5.991399828238082	4.928117992693875	1.063281835544207	Different Group
[P07947, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P07947	P11309	5.696803942579511	5.0670191780768015	0.6297847645027099	Different Group
[P07947, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P11309	5.272458742971444	5.548213564475709	0.27575482150426556	Different Group
[P07947, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P11309	5.617982957425132	5.356547323513812	0.2614356339113195	Different Group
[P07947, P11309]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P11309	4.954677021213342	4.945386945443112	0.00929007577023011	Different Group
[P07947, P11309]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P07947	P11309	4.569602408613033	4.4875824513991605	0.08201995721387245	Different Group
[P07947, P11309]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P11309	5.054531414868181	4.505845405981558	0.548686008886623	Different Group
[P07947, P11309]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P11309	5.0915149811213505	5.308918507877031	0.21740352675568086	Different Group
[P07947, P11309]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P07947	P11309	5.20690839982342	5.55129368009492	0.34438528027150017	Different Group
[P07947, P11309]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P11309	4.636200054520891	4.562249437179612	0.0739506173412785	Different Group
[P07947, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P11309	5.2549252084179425	5.583359492661719	0.32843428424377663	Different Group
[P07947, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P11309	5.291579099865287	5.080921907623926	0.21065719224136092	Different Group
[P06239, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P07947	P06239	6.794795636051855	6.578396073130169	0.21639956292168616	Same Family
[P06239, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P07947	P06239	6.304518323509803	6.209714835966758	0.0948034875430448	Same Family
[P06239, P07947]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P07947	P06239	6.546681659952962	6.30715308072277	0.23952857923019177	Same Family
[P06239, P07947]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P07947	P06239	7.443697499232713	6.711541522017397	0.7321559772153163	Same Family
[P06239, P07947]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P07947	P06239	7.356547323513813	7.161150909262744	0.19539641425106868	Same Family
[P06239, P07947]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P07947	P06239	8.698970004336019	9.0	0.30102999566398125	Same Family
[P06239, P07947]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07947	P06239	9.301029995663981	9.397940008672037	0.09691001300805624	Same Family
[P06239, P07947]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P07947	P06239	9.0	7.886056647693163	1.113943352306837	Same Family
[P06239, P07947]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P07947	P06239	8.522878745280337	8.154901959985743	0.3679767852945943	Same Family
[P06239, P07947]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P07947	P06239	8.67778070526608	7.665546248849069	1.0122344564170112	Same Family
[P06239, P07947]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P07947	P06239	6.910094888560602	6.522878745280337	0.38721614328026455	Same Family
[P07947, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P07947	P12931	6.794795636051855	7.337242168318426	0.5424465322665704	Same Family
[P07947, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P07947	P12931	6.304518323509803	6.958607314841775	0.6540889913319718	Same Family
[P07947, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P07947	P12931	6.546681659952962	7.1487416512809245	0.6020599913279625	Same Family
[P07947, P12931]	CCOC(Cn1c2c(c(n1)c3cc4cc[nH]c4nc3)c(ncn2)N)OCC	P07947	P12931	6.247183568811729	5.610568183714541	0.6366153850971878	Same Family
[P07947, P12931]	CN(C)CC1CCN(CC1)CCn2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	P07947	P12931	7.920818753952375	7.568636235841013	0.3521825181113618	Same Family
[P07947, P12931]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P07947	P12931	7.987162775294828	7.958607314841775	0.02855546045305335	Same Family
[P07947, P12931]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5	P07947	P12931	6.954677021213342	6.467245621007502	0.48743140020583997	Same Family
[P07947, P12931]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5Cl	P07947	P12931	7.663540266151471	7.455931955649724	0.20760831050174655	Same Family
[P07947, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CCN(C)C)N	P07947	P12931	6.157390760389438	5.982966660701219	0.1744240996882187	Same Family
[P07947, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)CN(C)C)N	P07947	P12931	6.46344155742847	6.518557371497695	0.055115814069225166	Same Family
[P07947, P12931]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	P07947	P12931	7.1487416512809245	6.8996294548824375	0.24911219639848703	Same Family
[P07947, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P07947	P12931	7.356547323513813	7.3979400086720375	0.041392685158224474	Same Family
[P07947, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P07947	P12931	9.301029995663981	9.41195437047216	0.11092437480817807	Same Family
[P07947, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P07947	P12931	9.0	8.174360993000928	0.8256390069990722	Same Family
[P07947, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C)C	P07947	P12931	8.113509274827518	7.6777807052660805	0.43572856956143724	Same Family
[P07947, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P07947	P12931	8.508638306165727	8.045757490560675	0.4628808156050521	Same Family
[P07947, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4cccc(c4)OCCN5CCCC5)C)C	P07947	P12931	8.431798275933005	8.221848749616356	0.20994952631664887	Same Family
[P07947, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4cccc(c4)S(=O)(=O)N)C)C	P07947	P12931	7.787812395596042	6.853871964321762	0.9339404312742801	Same Family
[P07947, P12931]	Cc1cccc(c1c2ccc3c(c2)nnc(n3)Nc4ccccc4)C	P07947	P12931	6.0851281824599495	5.823908740944319	0.2612194415156308	Same Family
[P07947, P12931]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P07947	P12931	8.522878745280337	7.187086643357144	1.335792101923193	Same Family
[P07947, P35968]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P07947	P35968	8.586816759719841	4.679853713888946	3.9069630458308957	Different Family
[P07947, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P35968	5.991399828238082	5.701146923590294	0.2902529046477884	Different Family
[P07947, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P07947	P35968	5.150580586203101	4.920818753952375	0.229761832250726	Different Family
[P07947, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P07947	P35968	5.696803942579511	5.795880017344075	0.0990760747645636	Different Family
[P07947, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P35968	5.272458742971444	5.688246138944246	0.415787395972802	Different Family
[P07947, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P35968	5.617982957425132	5.480172006224281	0.13781095120085052	Different Family
[P07947, P35968]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P35968	4.954677021213342	5.053547734986927	0.09887071377358492	Different Family
[P07947, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P07947	P35968	7.443697499232713	5.795880017344075	1.6478174818886382	Different Family
[P07947, P35968]	Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P07947	P35968	7.859029033279588	8.522878745280337	0.6638497120007498	Different Family
[P07947, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P07947	P35968	9.0	6.255707016877324	2.7442929831226763	Different Family
[P07947, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P07947	P35968	8.522878745280337	5.6020599913279625	2.920818753952375	Different Family
[P07947, P35968]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P07947	P35968	8.67778070526608	8.337242168318426	0.3405385369476548	Different Family
[P07947, P35968]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P35968	5.054531414868181	4.95663772197887	0.09789369288931038	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P35968	5.0915149811213505	5.958607314841775	0.8670923337204242	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P07947	P35968	4.898596649444669	4.795880017344075	0.10271663210059412	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P07947	P35968	5.20690839982342	5.686132779630847	0.4792243798074267	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P35968	4.636200054520891	4.768020973168496	0.13182091864760537	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P35968	5.2549252084179425	5.806875401645538	0.5519501932275954	Different Family
[P07947, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P35968	5.291579099865287	5.213248577854439	0.07833052201084811	Different Family
[P04629, P07947]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)O	P07947	P04629	4.367542707815276	4.093503340200647	0.27403936761462866	Different Family
[P04629, P07947]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P07947	P04629	5.0996328713435295	5.346787486224656	0.24715461488112656	Different Family
[P04629, P07947]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P07947	P04629	9.096910013008056	7.568636235841013	1.5282737771670432	Different Family
[P04629, P07947]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P04629	5.991399828238082	5.841637507904751	0.14976232033333137	Different Family
[P04629, P07947]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P07947	P04629	5.150580586203101	5.174573882232177	0.02399329602907585	Different Family
[P04629, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P07947	P04629	5.696803942579511	5.838631997765025	0.14182805518551334	Different Family
[P04629, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P04629	5.272458742971444	5.429457060118103	0.1569983171466589	Different Family
[P04629, P07947]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P04629	5.617982957425132	5.605548319173784	0.012434638251347607	Different Family
[P04629, P07947]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P04629	4.954677021213342	5.028724151261895	0.07404713004855257	Different Family
[P04629, P07947]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P07947	P04629	4.569602408613033	4.8972233851165585	0.3276209765035256	Different Family
[P04629, P07947]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P04629	5.054531414868181	5.108462542327436	0.0539311274592551	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P04629	5.0915149811213505	5.235823867609669	0.14430888648831885	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P07947	P04629	4.898596649444669	4.862013267276469	0.03658338216820045	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P07947	P04629	5.20690839982342	5.465973893943865	0.25906549412044466	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P04629	4.636200054520891	5.0343280287798935	0.3981279742590029	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P04629	5.2549252084179425	5.490797477668897	0.2358722692509545	Different Family
[P04629, P07947]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P04629	5.291579099865287	5.274088367704952	0.017490732160335476	Different Family
[P07947, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)O	P07947	P28482	4.367542707815276	6.153662887870195	1.786120180054919	Different Group
[P07947, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	P07947	P28482	4.067830754079208	5.764471553092451	1.6966407990132435	Different Group
[P07947, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P07947	P28482	5.0996328713435295	6.367542707815276	1.2679098364717465	Different Group
[P07947, P28482]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	P07947	P28482	4.3788237182249645	6.129596094720973	1.7507723764960081	Different Group
[P07947, P28482]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P07947	P28482	4.656394491895829	5.279840696594043	0.6234462046982143	Different Group
[P07947, P28482]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P28482	5.991399828238082	5.841637507904751	0.14976232033333137	Different Group
[P07947, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P07947	P28482	5.696803942579511	5.421360790031928	0.27544315254758356	Different Group
[P07947, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P28482	5.272458742971444	5.504455662453552	0.23199691948210788	Different Group
[P07947, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P28482	5.617982957425132	5.370590400897281	0.24739255652785097	Different Group
[P07947, P28482]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P28482	4.954677021213342	4.779107750780481	0.1755692704328613	Different Group
[P07947, P28482]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P07947	P28482	4.569602408613033	6.134896025358872	1.565293616745839	Different Group
[P07947, P28482]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	P28482	5.054531414868181	4.913284336055118	0.14124707881306264	Different Group
[P07947, P28482]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	P28482	5.0915149811213505	5.847711655616943	0.7561966744955928	Different Group
[P07947, P28482]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P07947	P28482	5.20690839982342	5.6307841425898575	0.42387574276643747	Different Group
[P07947, P28482]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P28482	4.636200054520891	4.633763876281707	0.0024361782391837394	Different Group
[P07947, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	P28482	5.2549252084179425	5.694648630553377	0.43972342213543403	Different Group
[P07947, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	P28482	5.291579099865287	5.074172425375258	0.2174066744900296	Different Group
[P07947, P54760]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P07947	P54760	6.304518323509803	7.021811631572858	0.7172933080630548	Different Family
[P07947, P54760]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P07947	P54760	6.546681659952962	7.213009372091355	0.6663277121383926	Different Family
[P07947, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P07947	P54760	7.987162775294828	7.3979400086720375	0.5892227666227905	Different Family
[P07947, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5cc(ccc5Cl)O	P07947	P54760	9.301029995663981	7.798602875679548	1.502427119984433	Different Family
[P07947, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5	P07947	P54760	6.954677021213342	6.407823242604133	0.5468537786092096	Different Family
[P07947, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5Cl	P07947	P54760	7.663540266151471	7.236572006437063	0.42696825971440777	Different Family
[P07947, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)S(=O)(=O)NCCN4CCCC4)c5cc(ccc5Cl)O	P07947	P54760	8.892790030352131	7.511449283499556	1.3813407468525751	Different Family
[P07947, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCC5CCCC5)C)C	P07947	P54760	8.920818753952375	7.309803919971486	1.6110148339808887	Different Family
[P07947, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P07947	P54760	9.0	7.1938200260161125	1.8061799739838875	Different Family
[P07947, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P07947	P54760	8.508638306165727	7.132532512140949	1.3761057940247783	Different Family
[P07947, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(o4)C(=O)NCCN5CCCC5)C)C	P07947	P54760	7.73754891026957	7.16304326294045	0.5745056473291204	Different Family
[P07947, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4nc(cs4)C(=O)NCCN5CCCC5)C)C	P07947	P54760	8.136677139879543	7.179798540514359	0.9568785993651838	Different Family
[P07947, P54760]	c1cc(c(c(c1)Cl)c2ccc3c(c2)nnc(n3)Nc4ccc(cc4)O)Cl	P07947	P54760	6.3325470471100465	6.2247537402597635	0.10779330685028299	Different Family
[P07947, Q86Z02]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	P07947	Q86Z02	4.3788237182249645	4.866461091629782	0.4876373734048176	Different Group
[P07947, Q86Z02]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P07947	Q86Z02	4.656394491895829	4.689731633367552	0.03333714147172362	Different Group
[P07947, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.991399828238082	5.139661993429006	0.851737834809076	Different Group
[P07947, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P07947	Q86Z02	5.696803942579511	4.882728704344236	0.8140752382352758	Different Group
[P07947, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.272458742971444	5.493494967595128	0.22103622462368389	Different Group
[P07947, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	Q86Z02	5.617982957425132	5.39577394691553	0.2222090105096015	Different Group
[P07947, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	Q86Z02	4.954677021213342	4.897909474488164	0.0567675467251787	Different Group
[P07947, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.054531414868181	4.926281649653878	0.12824976521430287	Different Group
[P07947, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.0915149811213505	6.035269078946371	0.9437540978250203	Different Group
[P07947, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.20690839982342	5.5638373529592435	0.3569289531358235	Different Group
[P07947, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	4.636200054520891	4.515557792357593	0.12064226216329743	Different Group
[P07947, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P07947	Q86Z02	5.2549252084179425	5.586700235918748	0.33177502750080556	Different Group
[P07947, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P07947	Q86Z02	5.291579099865287	5.088842391260023	0.20273670860526405	Different Group
[P11309, P49841]	CC(C)(C)CNC(=O)CC1CNC(=O)c2n1cc(c2)c3ccncc3	P11309	P49841	5.261933285222531	5.336487529584844	0.0745542443623135	Different Group
[P11309, P49841]	CC(c1c(ccc2c1OC(=Cc3c4cccnc4[nH]n3)C2=O)OC)N5CCNCC5	P11309	P49841	8.721246399047171	8.214670164989233	0.5065762340579383	Different Group
[P11309, P49841]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P11309	P49841	7.568636235841013	6.719991046891814	0.8486451889491988	Different Group
[P11309, P49841]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P11309	P49841	7.299988937677887	6.060480747381382	1.2395081902965055	Different Group
[P11309, P49841]	Cc1cc(ccc1O)c2cc([nH]c(=O)n2)c3ccccc3	P11309	P49841	6.478861916295964	7.764471553092451	1.2856096367964875	Different Group
[P11309, P49841]	c1cc(cc(c1)F)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4c[nH]nc4	P11309	P49841	5.959397659885927	6.413412695328245	0.4540150354423176	Different Group
[P11309, P49841]	c1cc2c(cc1Br)c(c[nH]2)c3ccnc(n3)N	P11309	P49841	5.982966660701219	5.698970004336019	0.28399665636520055	Different Group
[P11309, P49841]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P11309	P49841	7.267606240177032	7.886056647693163	0.6184504075161312	Different Group
[P11309, P49841]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	P11309	P49841	5.721366735565049	6.42021640338319	0.6988496678181413	Different Group
[P11309, P49841]	c1ccc2c(c1)NC(=C(C#N)c3ccnc(n3)NCCc4cccnc4)S2	P11309	P49841	7.096910013008056	7.3979400086720375	0.30102999566398125	Different Group
[P11309, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c(csc4n3)C(=O)NCCCN(C)C	P11309	P35968	5.393941250589686	5.609418121449565	0.2154768708598791	Different Group
[P11309, P35968]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P11309	P35968	6.468521082957745	6.096910013008056	0.3716110699496884	Different Group
[P11309, P35968]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P11309	P35968	6.508638306165727	5.920818753952375	0.587819552213352	Different Group
[P11309, P35968]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P11309	P35968	4.20342566678957	5.653647025549361	1.4502213587597907	Different Group
[P11309, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P11309	P35968	4.692503962086787	5.317854923626168	0.6253509615393806	Different Group
[P11309, P35968]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P11309	P35968	7.299988937677887	5.4089353929735005	1.8910535447043868	Different Group
[P11309, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P35968	4.928117992693875	5.701146923590294	0.7730289308964187	Different Group
[P11309, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P11309	P35968	5.0670191780768015	5.795880017344075	0.7288608392672735	Different Group
[P11309, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P35968	5.548213564475709	5.688246138944246	0.14003257446853645	Different Group
[P11309, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P35968	5.356547323513812	5.480172006224281	0.123624682710469	Different Group
[P11309, P35968]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P35968	4.945386945443112	5.053547734986927	0.10816078954381503	Different Group
[P11309, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P11309	P35968	5.508638306165727	6.494850021680094	0.9862117155143668	Different Group
[P11309, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P11309	P35968	5.35261702988538	6.4089353929735005	1.0563183630881205	Different Group
[P11309, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P11309	P35968	4.671620396561262	5.2247537402597635	0.5531333436985015	Different Group
[P11309, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P11309	P35968	7.267606240177032	8.113509274827518	0.8459030346504859	Different Group
[P11309, P35968]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P35968	4.505845405981558	4.95663772197887	0.4507923159973126	Different Group
[P11309, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P35968	5.308918507877031	5.958607314841775	0.6496888069647433	Different Group
[P11309, P35968]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P11309	P35968	5.55129368009492	5.686132779630847	0.13483909953592654	Different Group
[P11309, P35968]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P35968	4.562249437179612	4.768020973168496	0.20577153598888387	Different Group
[P11309, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P35968	5.583359492661719	5.806875401645538	0.2235159089838188	Different Group
[P11309, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P35968	5.080921907623926	5.213248577854439	0.1323266702305128	Different Group
[P04629, P11309]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P04629	4.928117992693875	5.841637507904751	0.9135195152108757	Different Group
[P04629, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P11309	P04629	5.0670191780768015	5.838631997765025	0.7716128196882233	Different Group
[P04629, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P04629	5.548213564475709	5.429457060118103	0.11875650435760665	Different Group
[P04629, P11309]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P04629	5.356547323513812	5.605548319173784	0.2490009956599719	Different Group
[P04629, P11309]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P04629	4.945386945443112	5.028724151261895	0.08333720581878268	Different Group
[P04629, P11309]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P11309	P04629	4.4875824513991605	4.8972233851165585	0.40964093371739807	Different Group
[P04629, P11309]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(N2)O	P11309	P04629	6.769551078621726	5.327902142064283	1.441648936557443	Different Group
[P04629, P11309]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P04629	4.505845405981558	5.108462542327436	0.6026171363458781	Different Group
[P04629, P11309]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P04629	5.308918507877031	5.235823867609669	0.07309464026736201	Different Group
[P04629, P11309]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P11309	P04629	5.55129368009492	5.465973893943865	0.08531978615105551	Different Group
[P04629, P11309]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P04629	4.562249437179612	5.0343280287798935	0.4720785916002814	Different Group
[P04629, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P04629	5.583359492661719	5.490797477668897	0.09256201499282213	Different Group
[P04629, P11309]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P04629	5.080921907623926	5.274088367704952	0.19316646008102545	Different Group
[P11309, P28482]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(cc3)OC	P11309	P28482	4.430626090384954	5.94692155651658	1.5162954661316261	Different Group
[P11309, P28482]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P11309	P28482	4.7848914189469065	5.279840696594043	0.4949492776471365	Different Group
[P11309, P28482]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P28482	4.928117992693875	5.841637507904751	0.9135195152108757	Different Group
[P11309, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P11309	P28482	5.0670191780768015	5.421360790031928	0.35434161195512637	Different Group
[P11309, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P28482	5.548213564475709	5.504455662453552	0.04375790202215768	Different Group
[P11309, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P28482	5.356547323513812	5.370590400897281	0.01404307738346855	Different Group
[P11309, P28482]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P28482	4.945386945443112	4.779107750780481	0.1662791946626312	Different Group
[P11309, P28482]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P11309	P28482	4.4875824513991605	6.134896025358872	1.6473135739597113	Different Group
[P11309, P28482]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	P28482	4.505845405981558	4.913284336055118	0.40743893007356036	Different Group
[P11309, P28482]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	P28482	5.308918507877031	5.847711655616943	0.5387931477399119	Different Group
[P11309, P28482]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P11309	P28482	5.55129368009492	5.6307841425898575	0.0794904624949373	Different Group
[P11309, P28482]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P28482	4.562249437179612	4.633763876281707	0.07151443910209476	Different Group
[P11309, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	P28482	5.583359492661719	5.694648630553377	0.1112891378916574	Different Group
[P11309, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	P28482	5.080921907623926	5.074172425375258	0.00674948224866867	Different Group
[P11309, Q92630]	CC(C)CCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.6777807052660805	6.251811972993799	0.5740312677277188	Different Group
[P11309, Q92630]	CC(C)CNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.698970004336019	6.6777807052660805	0.9788107009300617	Different Group
[P11309, Q92630]	CC(C)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.3979400086720375	6.275724130399211	0.8777841217271733	Different Group
[P11309, Q92630]	CCCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.337242168318426	6.214670164989233	0.8774279966708072	Different Group
[P11309, Q92630]	CCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1	P11309	Q92630	5.6020599913279625	6.920818753952375	1.3187587626244124	Different Group
[P11309, Q92630]	CCCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.346787486224656	6.259637310505756	0.9128498242810998	Different Group
[P11309, Q92630]	CCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1	P11309	Q92630	5.508638306165727	6.795880017344075	1.287241711178348	Different Group
[P11309, Q92630]	CCNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.142667503568732	6.1938200260161125	1.0511525224473806	Different Group
[P11309, Q92630]	CCOC(=O)C(=O)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.154901959985743	5.187086643357144	0.032184683371401235	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NC4CCCC4	P11309	Q92630	6.522878745280337	5.221848749616356	1.3010299956639813	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCC4CC4	P11309	Q92630	5.6777807052660805	6.468521082957745	0.7907403776916642	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCC=C	P11309	Q92630	5.376750709602099	6.2076083105017466	0.8308576008996473	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCCCCO	P11309	Q92630	5.214670164989233	5.698970004336019	0.4842998393467859	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCCO	P11309	Q92630	5.187086643357144	6.327902142064283	1.1408154987071386	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCN	P11309	Q92630	5.508638306165727	6.1487416512809245	0.6401033451151976	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCCN4CCOCC4	P11309	Q92630	5.2076083105017466	5.795880017344075	0.5882717068423284	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCc4ccc5c(c4)OCO5	P11309	Q92630	6.229147988357856	5.481486060122113	0.7476619282357433	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1NCc4ccccc4	P11309	Q92630	5.431798275933005	6.251811972993799	0.8200136970607943	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1Nc4ccc(cc4)O	P11309	Q92630	5.3979400086720375	5.958607314841775	0.5606673061697371	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1Nc4ccc(cc4)OC	P11309	Q92630	5.3872161432802645	6.292429823902063	0.9052136806217987	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1Nc4ccc5c(c4)OCCO5	P11309	Q92630	5.657577319177793	6.920818753952375	1.2632414347745815	Different Group
[P11309, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1Nc4ccccc4	P11309	Q92630	5.585026652029182	6.337242168318426	0.7522155162892439	Different Group
[P11309, Q92630]	CNC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C	P11309	Q92630	5.455931955649724	5.657577319177793	0.20164536352806905	Different Group
[P11309, Q92630]	Cc1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	P11309	Q92630	5.045757490560675	7.214670164989233	2.168912674428558	Different Group
[P11309, Q92630]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)O	P11309	Q92630	5.920818753952375	7.221848749616356	1.3010299956639813	Different Group
[P11309, Q92630]	c1cc2c(cc1C=C3C(=O)NC(=N3)NCC4CC4)OCO2	P11309	Q92630	5.823908740944319	7.327902142064283	1.5039934011199643	Different Group
[P11309, Q92630]	c1cc2c(cc1C=C3C(=O)NC(=N3)Nc4ccc5c(c4)OCO5)OCO2	P11309	Q92630	5.301029995663981	7.3979400086720375	2.0969100130080562	Different Group
[P11309, Q92630]	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=S)S3	P11309	Q92630	6.987162775294828	7.221848749616356	0.23468597432152816	Different Group
[P11309, Q92630]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	P11309	Q92630	5.721366735565049	7.08339547156902	1.3620287360039711	Different Group
[P11309, Q92630]	c1ccc2c(c1)NC(=C(C#N)c3ccnc(n3)NCCc4cccnc4)S2	P11309	Q92630	7.096910013008056	6.522878745280337	0.5740312677277188	Different Group
[P11309, Q9P1W9]	C#Cc1cccc(c1)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.552841968657781	8.0	0.44715803134221943	Same Family
[P11309, Q9P1W9]	C#Cc1cccc(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.221848749616356	8.301029995663981	0.07918124604762511	Same Family
[P11309, Q9P1W9]	C=C1CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F	P11309	Q9P1W9	8.522878745280337	8.0	0.5228787452803374	Same Family
[P11309, Q9P1W9]	CC(=C1c2cc(ccc2NC1=O)Cl)c3ccc(o3)c4cccc(c4)C(=O)N5CCCN(CC5)C	P11309	Q9P1W9	7.2441251443275085	7.42021640338319	0.17609125905568135	Same Family
[P11309, Q9P1W9]	CC(=O)Nc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q9P1W9]	CC(=O)c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)CN4CCN(CC4)C	P11309	Q9P1W9	6.1938200260161125	6.2076083105017466	0.013788284485634072	Same Family
[P11309, Q9P1W9]	CC(C)(C)C(CN1CCN(CC1)C)NC(=O)CC2CNC(=O)c3n2cc(c3)c4cccc(c4)Cl	P11309	Q9P1W9	8.301029995663981	6.581698708680254	1.719331286983727	Same Family
[P11309, Q9P1W9]	CC(C)(C)OC(=O)NC1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	5.823908740944319	4.823908740944319	1.0	Same Family
[P11309, Q9P1W9]	CC(C)(C1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)C(F)(F)F)O	P11309	Q9P1W9	7.769551078621726	6.279840696594043	1.489710382027683	Same Family
[P11309, Q9P1W9]	CC(C)(C1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)Cl)O	P11309	Q9P1W9	7.638272163982407	6.642065152999546	0.9962070109828609	Same Family
[P11309, Q9P1W9]	CC(C)(C1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)OC(F)(F)F)O	P11309	Q9P1W9	6.690369832574102	5.388276691992658	1.3020931405814435	Same Family
[P11309, Q9P1W9]	CC(C)CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4ccccc4Cl	P11309	Q9P1W9	7.6777807052660805	8.301029995663981	0.6232492903979008	Same Family
[P11309, Q9P1W9]	CC(C)COc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	8.096910013008056	6.853871964321762	1.2430380486862944	Same Family
[P11309, Q9P1W9]	CC(C)NC(=O)c1cccc2c1nc(c3c2cncc3)Nc4ccccc4Cl	P11309	Q9P1W9	7.795880017344075	8.698970004336019	0.9030899869919438	Same Family
[P11309, Q9P1W9]	CC(C)Oc1cnc(cn1)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q9P1W9	6.581698708680254	5.889410289700751	0.6922884189795031	Same Family
[P11309, Q9P1W9]	CC(C)c1ccccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	6.424812155072339	5.301029995663981	1.123782159408358	Same Family
[P11309, Q9P1W9]	CC(c1[nH]c(=O)c2c(n1)c3cc(ccc3o2)Br)N4CCN(CC4)C	P11309	Q9P1W9	7.795880017344075	6.298432014944073	1.4974480024000023	Same Family
[P11309, Q9P1W9]	CC1(CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)C(F)(F)F)O	P11309	Q9P1W9	7.267606240177032	6.1944991418416	1.0731070983354316	Same Family
[P11309, Q9P1W9]	CC1(CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)Cl)O	P11309	Q9P1W9	6.422508200162775	5.8996294548824375	0.5228787452803374	Same Family
[P11309, Q9P1W9]	CC1(CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)OC(F)(F)F)O	P11309	Q9P1W9	6.705533773838407	5.690369832574102	1.015163941264305	Same Family
[P11309, Q9P1W9]	CC1(CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F)C	P11309	Q9P1W9	8.522878745280337	7.795880017344075	0.7269987279362624	Same Family
[P11309, Q9P1W9]	CCC(=C1c2cc(ccc2NC1=O)Cl)c3ccc(o3)c4cccc(c4)C(=O)N5CCCN(CC5)C	P11309	Q9P1W9	6.882728704344236	7.086186147616283	0.20345744327204773	Same Family
[P11309, Q9P1W9]	CCCCNc1c(nc2cccc(c2n1)c3cc4c([nH]3)CCNC4=O)C	P11309	Q9P1W9	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P11309, Q9P1W9]	CCCNc1c(nc2cccc(c2n1)c3cc4c([nH]3)CCNC4=O)C	P11309	Q9P1W9	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P11309, Q9P1W9]	CCCOc1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.823908740944319	7.698970004336019	0.8750612633917001	Same Family
[P11309, Q9P1W9]	CCN(CC)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.764471553092451	6.036212172654444	1.7282593804380069	Same Family
[P11309, Q9P1W9]	CCN(CC)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.462180904926726	6.180456064458132	1.281724840468594	Same Family
[P11309, Q9P1W9]	CCN(CC)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	8.55284196865778	6.508638306165727	2.0442036624920537	Same Family
[P11309, Q9P1W9]	CCN(CC)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.58838029403677	6.229147988357856	1.3592323056789137	Same Family
[P11309, Q9P1W9]	CCN1CCCC1CNc2ccn3c(n2)c(cn3)c4ccc5ccccc5c4	P11309	Q9P1W9	8.795880017344075	5.365724305374056	3.430155711970019	Same Family
[P11309, Q9P1W9]	CCNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4ccccc4Cl	P11309	Q9P1W9	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[P11309, Q9P1W9]	CCOc1cc(ccc1O)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.795880017344075	6.795880017344075	0.0	Same Family
[P11309, Q9P1W9]	CCOc1ccc(cc1)C=C2C(=O)NC(=O)N2Cc3ccccc3	P11309	Q9P1W9	4.136677139879544	4.0	0.1366771398795441	Same Family
[P11309, Q9P1W9]	CCOc1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.769551078621726	4.366531544420414	2.403019534201312	Same Family
[P11309, Q9P1W9]	CCOc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	8.0	6.795880017344075	1.204119982655925	Same Family
[P11309, Q9P1W9]	CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.345823458122039	6.130768280269024	1.2150551778530154	Same Family
[P11309, Q9P1W9]	CCc1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.221848749616356	6.522878745280337	0.30102999566398125	Same Family
[P11309, Q9P1W9]	CN(C)C1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	7.214670164989233	6.301029995663981	0.9136401693252516	Same Family
[P11309, Q9P1W9]	CN(C)C1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)Cl	P11309	Q9P1W9	9.0	7.443697499232713	1.5563025007672868	Same Family
[P11309, Q9P1W9]	CN(C)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.73754891026957	6.200659450546418	1.5368894597231524	Same Family
[P11309, Q9P1W9]	CN(C)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.728158393463501	6.267606240177032	1.4605521532864696	Same Family
[P11309, Q9P1W9]	CN(C)CCN(C)c1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	8.096910013008056	6.7447274948966935	1.3521825181113627	Same Family
[P11309, Q9P1W9]	CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3	P11309	Q9P1W9	8.154901959985743	6.732828271596986	1.4220736883887568	Same Family
[P11309, Q9P1W9]	CN(C)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	8.468521082957745	6.958607314841775	1.50991376811597	Same Family
[P11309, Q9P1W9]	CN(C)CCOc1ccc(c(c1)F)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.154901959985743	7.698970004336019	0.45593195564972433	Same Family
[P11309, Q9P1W9]	CN(C)CCOc1ccc(cc1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.795880017344075	7.468521082957745	0.32735893438633035	Same Family
[P11309, Q9P1W9]	CN(C)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q9P1W9	7.690369832574102	6.42021640338319	1.2701534291909118	Same Family
[P11309, Q9P1W9]	CN(C)c1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	5.221848749616356	7.0	1.7781512503836439	Same Family
[P11309, Q9P1W9]	CN(c1ccccc1Cl)c2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.6777807052660805	7.823908740944319	0.14612803567823818	Same Family
[P11309, Q9P1W9]	CN1CC2CC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q9P1W9	8.0	6.958607314841775	1.0413926851582254	Same Family
[P11309, Q9P1W9]	CN1CC2CCC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q9P1W9	8.522878745280337	6.790484985457369	1.7323937598229682	Same Family
[P11309, Q9P1W9]	CN1CCC(CC1)CNc2ccn3c(n2)c(cn3)c4cccc(c4)OC(F)(F)F	P11309	Q9P1W9	7.346787486224656	5.826522356547005	1.520265129677651	Same Family
[P11309, Q9P1W9]	CN1CCCC(C1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	7.7447274948966935	6.272458742971444	1.4722687519252498	Same Family
[P11309, Q9P1W9]	CN1CCCN(CC1)C(=O)c2ccc(c(c2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl)Cl	P11309	Q9P1W9	7.6777807052660805	6.663540266151471	1.0142404391146096	Same Family
[P11309, Q9P1W9]	CN1CCCN(CC1)C(=O)c2ccc(c(c2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl)F	P11309	Q9P1W9	8.522878745280337	8.301029995663981	0.22184874961635614	Same Family
[P11309, Q9P1W9]	CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl	P11309	Q9P1W9	8.301029995663981	7.6020599913279625	0.6989700043360187	Same Family
[P11309, Q9P1W9]	CN1CCCN(CC1)C(=O)c2cncc(n2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl	P11309	Q9P1W9	7.173925197299173	6.647817481888637	0.5261077154105358	Same Family
[P11309, Q9P1W9]	CN1CCN(C(C1)c2ccccc2)C(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)F	P11309	Q9P1W9	6.632644078973981	6.0195421077238995	0.6131019712500816	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cc(ccc5F)Cl	P11309	Q9P1W9	8.698970004336019	6.87942606879415	1.8195439355418683	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5ccc(c(c5)F)F	P11309	Q9P1W9	7.585026652029182	6.6020599913279625	0.9829666607012193	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)Cl	P11309	Q9P1W9	7.522878745280337	7.136677139879544	0.3862016054007933	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)F	P11309	Q9P1W9	8.045757490560675	6.823908740944319	1.2218487496163561	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5ccnc(c5)F	P11309	Q9P1W9	7.886056647693163	7.022276394711152	0.8637802529820107	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	7.568636235841013	6.705533773838407	0.8631024620026064	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5	P11309	Q9P1W9	6.236572006437063	6.075720713938118	0.16085129249894514	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl	P11309	Q9P1W9	7.113509274827518	6.318758762624412	0.7947505122031053	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)I	P11309	Q9P1W9	7.619788758288394	6.853871964321762	0.7659167939666318	Same Family
[P11309, Q9P1W9]	CN1CCN(CC1)c2ccc(c(c2)Cl)Nc3c4ccncc4c5cccc(c5n3)c6[nH]cnn6	P11309	Q9P1W9	8.698970004336019	7.920818753952375	0.7781512503836439	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4c(cccc4F)F	P11309	Q9P1W9	7.886056647693163	8.698970004336019	0.8129133566428557	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4cccc(c4)Cl	P11309	Q9P1W9	7.259637310505756	7.7447274948966935	0.48509018439093765	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4cccc(c4Cl)OC	P11309	Q9P1W9	8.0	8.301029995663981	0.30102999566398125	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4ccccc4Cl	P11309	Q9P1W9	8.045757490560675	9.0	0.9542425094393252	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4ccccc4F	P11309	Q9P1W9	7.619788758288394	8.397940008672037	0.7781512503836439	Same Family
[P11309, Q9P1W9]	CNC(=O)c1cccc2c1nc(c3c2scc3)Nc4ccccc4Cl	P11309	Q9P1W9	8.301029995663981	7.552841968657781	0.7481880270062007	Same Family
[P11309, Q9P1W9]	CNc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	5.525492360883025	5.301029995663981	0.2244623652190434	Same Family
[P11309, Q9P1W9]	CNc1nnc(s1)c2ccc3c(c2)c(c[nH]3)c4cc5ccccc5nc4	P11309	Q9P1W9	6.565431095965801	5.787812395596042	0.777618700369759	Same Family
[P11309, Q9P1W9]	COC(=O)c1cccc2c1nc(c3c2cncc3)Nc4cccc(c4)Cl	P11309	Q9P1W9	5.653647025549361	6.048662481204082	0.39501545565472096	Same Family
[P11309, Q9P1W9]	COC1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)C(F)(F)F	P11309	Q9P1W9	7.180456064458132	5.33161408331	1.8488419811481318	Same Family
[P11309, Q9P1W9]	COC1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)Cl	P11309	Q9P1W9	7.167491087293763	5.991399828238082	1.1760912590556813	Same Family
[P11309, Q9P1W9]	COC1CCC(CC1)Nc2ccn3c(n2)c(cn3)c4cccc(c4)OC(F)(F)F	P11309	Q9P1W9	6.422508200162775	5.441291429466834	0.9812167706959407	Same Family
[P11309, Q9P1W9]	COCCNC(=O)c1cccc2c1nc(c3c2cncc3)Nc4cccc(c4)Cl	P11309	Q9P1W9	6.943095148663527	6.801342913045577	0.14175223561795036	Same Family
[P11309, Q9P1W9]	COCCOc1c(cccc1C(F)(F)F)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.552841968657781	4.376750709602099	2.1760912590556813	Same Family
[P11309, Q9P1W9]	COCCOc1ccc(c(c1)F)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.154901959985743	8.0	0.15490195998574308	Same Family
[P11309, Q9P1W9]	COCOc1c(cccc1C(F)(F)F)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.337242168318426	5.823908740944319	0.513333427374107	Same Family
[P11309, Q9P1W9]	COc1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	5.292429823902063	6.522878745280337	1.230448921378274	Same Family
[P11309, Q9P1W9]	COc1ccc(cc1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.397940008672037	8.221848749616356	0.17609125905568135	Same Family
[P11309, Q9P1W9]	COc1ccc(cc1OC)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.022276394711152	5.6020599913279625	0.4202164033831899	Same Family
[P11309, Q9P1W9]	COc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	7.214670164989233	5.838332587562264	1.3763375774269688	Same Family
[P11309, Q9P1W9]	COc1ccc2c(c1)oc3c2nc([nH]c3=O)c4ccccc4Cl	P11309	Q9P1W9	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q9P1W9]	COc1cccc(c1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.187086643357144	7.3979400086720375	1.2108533653148932	Same Family
[P11309, Q9P1W9]	COc1cccc(c1)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.638272163982407	7.585026652029182	0.05324551195322513	Same Family
[P11309, Q9P1W9]	COc1cccc(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.958607314841775	7.552841968657781	0.40576534618399407	Same Family
[P11309, Q9P1W9]	COc1cccc(c1Cl)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.096910013008056	9.0	0.9030899869919438	Same Family
[P11309, Q9P1W9]	COc1cccc(c1Cl)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.301029995663981	7.6777807052660805	0.6232492903979008	Same Family
[P11309, Q9P1W9]	COc1cccc(c1Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	7.823908740944319	5.759201228882668	2.0647075120616503	Same Family
[P11309, Q9P1W9]	COc1cccc(c1Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	7.886056647693163	7.920818753952375	0.034762106259211834	Same Family
[P11309, Q9P1W9]	COc1cccc2c1c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	5.72792621249999	5.301029995663981	0.42689621683600887	Same Family
[P11309, Q9P1W9]	COc1ccccc1Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.3872161432802645	7.036212172654444	0.3510039706258201	Same Family
[P11309, Q9P1W9]	COc1ccccc1Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.154901959985743	7.309803919971486	0.8450980400142569	Same Family
[P11309, Q9P1W9]	CS(=O)(=O)Nc1ccc(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	9.522878745280337	9.221848749616356	0.30102999566398125	Same Family
[P11309, Q9P1W9]	CS(=O)(=O)c1ccc(c(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.585026652029182	7.356547323513813	0.22847932851536878	Same Family
[P11309, Q9P1W9]	CS(=O)(=O)c1ccc(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.853871964321762	8.823908740944319	0.02996322337744317	Same Family
[P11309, Q9P1W9]	Cc1c(nc2c(cccc2n1)c3cc4c([nH]3)CCNC4=O)Nc5ccccc5	P11309	Q9P1W9	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P11309, Q9P1W9]	Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)C(CC=C(CN2)C)CNC5=O	P11309	Q9P1W9	9.698970004336019	9.897940008672037	0.19897000433601875	Same Family
[P11309, Q9P1W9]	Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)C(CCC(CN2)C)CNC5=O	P11309	Q9P1W9	9.41195437047216	9.460409376976187	0.04845500650402812	Same Family
[P11309, Q9P1W9]	Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)C(CCCCN2)CNC5=O	P11309	Q9P1W9	9.77642098432889	10.0	0.22357901567110972	Same Family
[P11309, Q9P1W9]	Cc1cc(ccc1Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P11309, Q9P1W9]	Cc1cc2c(s1)c3cccc(c3nc2Nc4ccccc4F)c5[nH]cnn5	P11309	Q9P1W9	7.823908740944319	8.221848749616356	0.3979400086720375	Same Family
[P11309, Q9P1W9]	Cc1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	7.221848749616356	5.356547323513812	1.865301426102544	Same Family
[P11309, Q9P1W9]	Cc1ccc(cc1Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	8.221848749616356	8.096910013008056	0.1249387366082999	Same Family
[P11309, Q9P1W9]	Cc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	7.00436480540245	5.405165644416682	1.5991991609857683	Same Family
[P11309, Q9P1W9]	Cc1cccc(c1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.795880017344075	7.0	0.20411998265592501	Same Family
[P11309, Q9P1W9]	Cc1ccccc1Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.154901959985743	8.221848749616356	0.06694678963061307	Same Family
[P11309, Q9P1W9]	Cc1nnc(o1)c2cccc(c2)c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	8.886056647693163	8.136677139879543	0.7493795078136198	Same Family
[P11309, Q9P1W9]	Cn1cc(cn1)c2ccc3c(c2)cc(o3)C(=O)O	P11309	Q9P1W9	5.267606240177032	5.5376020021010435	0.26999576192401165	Same Family
[P11309, Q9P1W9]	Cn1cncc1c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	7.823908740944319	7.236572006437063	0.5873367345072555	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)C(=O)NC3CCNCC3)C(=O)O	P11309	Q9P1W9	6.008773924307505	5.154901959985743	0.8538719643217618	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)C(=O)NCC3CCNCC3)C(=O)O	P11309	Q9P1W9	5.568636235841013	5.886056647693163	0.31742041185215	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)NC(=O)C3CCNCC3)C(=O)O	P11309	Q9P1W9	6.823908740944319	6.585026652029182	0.23888208891513685	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)NC(=O)CC3CCNCC3)C(=O)O	P11309	Q9P1W9	7.259637310505756	6.468521082957745	0.7911162275480113	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)NC3CCC(CC3)O)C(=O)O	P11309	Q9P1W9	5.6290304611354	5.191080626141498	0.43794983499390217	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)NCC3CCNCC3)C(=O)O	P11309	Q9P1W9	7.698970004336019	6.721246399047171	0.9777236052888476	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)NCCC3CCNCC3)C(=O)O	P11309	Q9P1W9	7.3979400086720375	6.267606240177032	1.1303337684950057	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)OCC(=O)N3CCNCC3)C(=O)O	P11309	Q9P1W9	6.657577319177793	5.886056647693163	0.7715206714846303	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)OCC3CCCNC3)C(=O)O	P11309	Q9P1W9	7.1487416512809245	6.481486060122113	0.6672555911588116	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)OCC3CCNCC3)C(=O)O	P11309	Q9P1W9	7.221848749616356	6.6020599913279625	0.6197887582883936	Same Family
[P11309, Q9P1W9]	c1c2cc(oc2c(cc1Br)OCCC3CCNCC3)C(=O)O	P11309	Q9P1W9	7.292429823902063	6.455931955649724	0.836497868252339	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)Br)N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	8.0	6.823908740944319	1.1760912590556813	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	8.096910013008056	6.223298816011589	1.8736111969964675	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)Cl)N2CCNCC2)C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	7.7447274948966935	7.086186147616283	0.6585413472804102	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)F	P11309	Q9P1W9	7.455931955649724	5.9714287473074625	1.4845032083422618	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5)F	P11309	Q9P1W9	6.303643611266668	5.47755576649368	0.8260878447729878	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2c[nH]c3c2cc(cc3)c4nnc(s4)N)F	P11309	Q9P1W9	6.752026733638194	6.458420756053419	0.29360597758477436	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(C5)N)F	P11309	Q9P1W9	7.958607314841775	7.1487416512809245	0.8098656635608501	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)N)F	P11309	Q9P1W9	8.698970004336019	8.045757490560675	0.653212513775344	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)O)F	P11309	Q9P1W9	7.356547323513813	6.441291429466834	0.9152558940469788	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCC(C5)N)F	P11309	Q9P1W9	8.522878745280337	7.154901959985743	1.3679767852945943	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCCC5)F	P11309	Q9P1W9	6.896196279044043	5.522878745280337	1.3733175337637054	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCNCC5)F	P11309	Q9P1W9	7.958607314841775	7.229147988357856	0.7294593264839184	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCNCC5)F	P11309	Q9P1W9	8.154901959985743	7.5376020021010435	0.6172999578846996	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCCNC5)F	P11309	Q9P1W9	8.698970004336019	7.823908740944319	0.8750612633917001	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNC5)F	P11309	Q9P1W9	8.522878745280337	7.7447274948966935	0.7781512503836439	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNCC5)F	P11309	Q9P1W9	8.698970004336019	8.221848749616356	0.4771212547196626	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CNC5)F	P11309	Q9P1W9	7.823908740944319	7.259637310505756	0.5642714304385628	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCCNC5)F	P11309	Q9P1W9	8.154901959985743	7.795880017344075	0.3590219426416681	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCNCC5)F	P11309	Q9P1W9	8.096910013008056	7.481486060122113	0.6154239528859433	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2cccc(n2)C(=O)Nc3cnccc3OC4CCNCC4)F	P11309	Q9P1W9	8.397940008672037	6.823908740944319	1.5740312677277188	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3OC4CCNC4)F	P11309	Q9P1W9	9.0	9.0	0.0	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCC(CC4)O)F	P11309	Q9P1W9	9.0	7.443697499232713	1.5563025007672868	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCCCC4)F	P11309	Q9P1W9	9.0	6.6020599913279625	2.3979400086720375	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCNCC4)F	P11309	Q9P1W9	9.0	7.7447274948966935	1.2552725051033065	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCOCC4)F	P11309	Q9P1W9	8.397940008672037	6.3979400086720375	2.0	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OCC4CCOCC4)F	P11309	Q9P1W9	9.0	7.251811972993799	1.7481880270062007	Same Family
[P11309, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)c3ccc4c(c3)c(ccn4)N5CCNCC5)F	P11309	Q9P1W9	7.6777807052660805	6.721246399047171	0.9565343062189093	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1C(=O)NCCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q9P1W9	8.397940008672037	6.872895201635193	1.5250448070368448	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1CN)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	8.522878745280337	7.060480747381382	1.4623979978989556	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1CNC2CCNCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q9P1W9	8.397940008672037	7.5376020021010435	0.860338006570994	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	7.958607314841775	6.533132379645891	1.4254749351958838	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1Cl)N2CCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q9P1W9	7.920818753952375	7.102372908709558	0.8184458452428167	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1F)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q9P1W9	7.619788758288394	6.070581074285707	1.5492076840026865	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1F)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	P11309	Q9P1W9	7.853871964321762	6.185086818724926	1.6687851455968357	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1NC(=O)CCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q9P1W9	8.522878745280337	7.167491087293763	1.355387657986574	Same Family
[P11309, Q9P1W9]	c1cc(c(cc1c2cc3n(c2)C(CNC3=O)CC(=O)NCC4CCCCC4)F)F	P11309	Q9P1W9	7.026872146400302	5.349692476868063	1.6771796695322383	Same Family
[P11309, Q9P1W9]	c1cc(c(nc1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P11309, Q9P1W9]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6)F	P11309	Q9P1W9	8.397940008672037	8.221848749616356	0.17609125905568135	Same Family
[P11309, Q9P1W9]	c1cc(c2c(c1)sc(n2)c3c(cccc3F)F)Nc4cnccc4OC5CCNC5	P11309	Q9P1W9	7.309803919971486	6.7447274948966935	0.5650764250747926	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Br)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	4.346787486224656	7.0	2.653212513775344	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)N2CCCNCC2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl	P11309	Q9P1W9	8.301029995663981	7.657577319177793	0.6434526764861879	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)NC2CC2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)F	P11309	Q9P1W9	6.295849483160201	6.962573502059376	0.666724018899175	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)NCCCO)c2ccc(o2)C=C3c4cc(ccc4NC3=O)Cl	P11309	Q9P1W9	7.6020599913279625	7.42021640338319	0.18184358794477262	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)Cl	P11309	Q9P1W9	7.6777807052660805	7.2076083105017466	0.4701723947643339	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(o3)C=C4c5cc(ccc5NC4=O)F	P11309	Q9P1W9	7.128427064454121	6.896196279044043	0.2322307854100787	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(o3)C=C4c5cccc(c5NC4=O)Cl	P11309	Q9P1W9	7.346787486224656	6.351639989019068	0.995147497205588	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(F)(F)F)c2cc3n(c2)C(CNC3=O)CC(=O)NCC4CCOCC4	P11309	Q9P1W9	6.076755981369724	5.504455662453552	0.572300318916172	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(F)(F)F)c2cnn3c2nc(cc3)NC4CCC(CC4)O	P11309	Q9P1W9	7.6020599913279625	6.549750891680639	1.0523090996473234	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(F)(F)F)c2cnn3c2nc(cc3)NCC4CCOCC4	P11309	Q9P1W9	6.826813731587726	5.705533773838407	1.1212799577493193	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)C(F)(F)F)c2cnn3c2nc(cc3)NCC4CCS(=O)(=O)CC4	P11309	Q9P1W9	6.954677021213342	5.220403508742176	1.7342735124711668	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.221848749616356	7.3979400086720375	1.1760912590556813	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cc(ccc4n2)C(=O)O	P11309	Q9P1W9	6.238824186844268	6.531652669587842	0.2928284827435741	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)N	P11309	Q9P1W9	6.09799710864927	5.903089986991944	0.1949071216573266	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O	P11309	Q9P1W9	7.328000465471419	6.730487055782084	0.5975134096893351	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)C(=O)N	P11309	Q9P1W9	7.0	7.267606240177032	0.26760624017703183	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)C(=O)NC5CC5	P11309	Q9P1W9	6.97061622231479	7.130768280269024	0.16015205795423348	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)C(=O)O	P11309	Q9P1W9	6.465973893943865	7.026872146400302	0.560898252456437	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.568636235841013	7.7447274948966935	0.17609125905568046	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccncc3c4cccc(c4n2)c5nnco5	P11309	Q9P1W9	6.642065152999546	6.931814138253839	0.2897489852542927	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.221848749616356	8.221848749616356	0.0	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cc3n(c2)C(CNC3=O)CC(=O)NCc4ccco4	P11309	Q9P1W9	7.3872161432802645	6.008773924307505	1.3784422189727596	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)N4CCC(=O)CC4	P11309	Q9P1W9	6.774690718274138	6.248720896016658	0.5259698222574798	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)N4CCCC(C4)N	P11309	Q9P1W9	7.026872146400302	5.697885623043799	1.3289865233565026	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)NC4CCC(CC4)N	P11309	Q9P1W9	7.619788758288394	6.135488918941608	1.4842998393467859	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)NC4CCC(CC4)O	P11309	Q9P1W9	6.6252516539898965	6.295849483160201	0.32940217082969525	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)NCC4CCOCC4	P11309	Q9P1W9	6.730487055782084	5.785156151952302	0.9453309038297819	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Cl)c2cnn3c2nc(cc3)NCC4CCS(=O)(=O)CC4	P11309	Q9P1W9	6.785156151952302	5.684029654543083	1.1011264974092194	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.886056647693163	6.3979400086720375	0.48811663902112556	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4c[nH]nc4	P11309	Q9P1W9	5.959397659885927	6.170696227168975	0.2112985672830474	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4cccc(c4)C(F)(F)F	P11309	Q9P1W9	6.211831628858833	5.441291429466834	0.7705401993919985	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.130768280269024	7.229147988357856	0.09837970808883245	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.522878745280337	8.301029995663981	0.22184874961635614	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)c2cc3n(c2)C(CNC3=O)CC(=O)NC(CN)C4CCCCC4	P11309	Q9P1W9	7.920818753952375	6.560667306169737	1.3601514477826377	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)c2cc3n(c2)C(CNC3=O)CC(=O)NC(CO)C4CCCCC4	P11309	Q9P1W9	7.795880017344075	6.598599459218456	1.1972805581256187	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)F)c2cc3n(c2)C(CNC3=O)CC(=O)NCC4CCCCC4	P11309	Q9P1W9	7.136677139879544	5.609064892896621	1.5276122469829234	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5)C#N	P11309	Q9P1W9	8.0	7.920818753952375	0.07918124604762511	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5)C(F)(F)F	P11309	Q9P1W9	7.795880017344075	7.2839966563652006	0.5118833609788744	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(C(F)F)(F)F)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	7.136677139879544	5.657577319177793	1.4790998207017507	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	7.173925197299173	6.045757490560675	1.1281677067384983	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)c2cnn3c2nc(cc3)N4CCCC(C4)N	P11309	Q9P1W9	6.87942606879415	6.005682847330363	0.873743221463787	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)c2cnn3c2nc(cc3)NC4CCC(CC4)N	P11309	Q9P1W9	8.301029995663981	7.0	1.3010299956639813	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)c2cnn3c2nc(cc3)NC4CCC(CC4)O	P11309	Q9P1W9	7.568636235841013	6.570247719997592	0.9983885158434207	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)c2cnn3c2nc(cc3)NCC4CCOCC4	P11309	Q9P1W9	6.198596289982645	5.428291168191312	0.770305121791333	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)OC(F)(F)F)c2cnn3c2nc(cc3)NCC4CCS(=O)(=O)CC4	P11309	Q9P1W9	6.8297382846050425	5.088309841246139	1.7414284433589033	Same Family
[P11309, Q9P1W9]	c1cc(cc(c1)c2cnn3c2nc(cc3)NCCN)c4ccco4	P11309	Q9P1W9	8.346787486224656	7.050609993355087	1.2961774928695693	Same Family
[P11309, Q9P1W9]	c1cc(ccc1C=C2C(=O)NC(=O)S2)Br	P11309	Q9P1W9	4.552841968657781	7.045757490560675	2.4929155219028942	Same Family
[P11309, Q9P1W9]	c1cc(ccc1C=C2C(=O)NC(=O)S2)C(F)(F)F	P11309	Q9P1W9	6.481486060122113	7.096910013008056	0.6154239528859433	Same Family
[P11309, Q9P1W9]	c1cc(ccc1C=C2C(=O)NC(=O)S2)Cl	P11309	Q9P1W9	7.3979400086720375	6.698970004336019	0.6989700043360187	Same Family
[P11309, Q9P1W9]	c1cc(ccc1C=C2C(=O)NC(=O)S2)F	P11309	Q9P1W9	7.886056647693163	5.638272163982407	2.247784483710756	Same Family
[P11309, Q9P1W9]	c1cc(ccc1C=C2C(=O)NC(=O)S2)OC(F)(F)F	P11309	Q9P1W9	6.522878745280337	6.301029995663981	0.22184874961635614	Same Family
[P11309, Q9P1W9]	c1cc(ccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)NCC5CCNCC5	P11309	Q9P1W9	8.154901959985743	7.5376020021010435	0.6172999578846996	Same Family
[P11309, Q9P1W9]	c1cc(ccc1c2c[nH]c3c2c(ncn3)NCCO)C(=O)N	P11309	Q9P1W9	7.6777807052660805	5.721246399047171	1.9565343062189093	Same Family
[P11309, Q9P1W9]	c1cc(cnc1)c2ccc3c(c2)cc(o3)C(=O)O	P11309	Q9P1W9	5.107905397309519	5.1487416512809245	0.040836253971405334	Same Family
[P11309, Q9P1W9]	c1cc(nc(c1)N)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q9P1W9	6.062983892535186	6.010105436281227	0.05287845625395882	Same Family
[P11309, Q9P1W9]	c1cc(nc(c1)NC2CCCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	P11309	Q9P1W9	6.962573502059376	6.6439741428068775	0.3185993592524987	Same Family
[P11309, Q9P1W9]	c1cc(nc(c1)c2c(cccc2F)F)CNc3cnccc3OC4CCNCC4	P11309	Q9P1W9	6.259637310505756	5.376750709602099	0.8828866009036567	Same Family
[P11309, Q9P1W9]	c1cc(oc1)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4cc(ccc4F)Cl	P11309	Q9P1W9	6.87942606879415	5.618704376996174	1.2607216917979764	Same Family
[P11309, Q9P1W9]	c1cc(oc1)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4ccc(c(c4)F)F	P11309	Q9P1W9	6.903089986991944	5.653255945395151	1.2498340415967926	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)N5CCOCC5	P11309	Q9P1W9	7.455931955649724	8.0	0.5440680443502757	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)NC5CC5	P11309	Q9P1W9	7.823908740944319	7.6020599913279625	0.22184874961635614	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5cc(cc(c5)F)F	P11309	Q9P1W9	8.045757490560675	7.619788758288394	0.42596873227228116	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(c(c5)F)F	P11309	Q9P1W9	8.045757490560675	7.823908740944319	0.22184874961635614	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5)C(=O)N	P11309	Q9P1W9	7.769551078621726	7.769551078621726	0.0	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5)Cl	P11309	Q9P1W9	7.853871964321762	7.0655015487564325	0.7883704155653293	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5)F	P11309	Q9P1W9	8.397940008672037	8.154901959985743	0.24303804868629442	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5Cl)F	P11309	Q9P1W9	8.045757490560675	8.045757490560675	0.0	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5Cl)O	P11309	Q9P1W9	7.853871964321762	8.397940008672037	0.5440680443502757	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5Cl)OC(F)(F)F	P11309	Q9P1W9	7.1938200260161125	7.119186407719209	0.07463361829690385	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccc(cc5F)F	P11309	Q9P1W9	8.698970004336019	8.698970004336019	0.0	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5cccnc5	P11309	Q9P1W9	7.769551078621726	7.657577319177793	0.11197375944393251	Same Family
[P11309, Q9P1W9]	c1cc2c(c(c1)c3[nH]cnn3)nc(c4c2scc4)Nc5ccncc5	P11309	Q9P1W9	7.040958607678906	7.167491087293763	0.12653247961485725	Same Family
[P11309, Q9P1W9]	c1cc2c(c3ccc4c(c[nH]c4c3[nH]2)C=O)c(c1)Br	P11309	Q9P1W9	8.167491087293763	6.882728704344236	1.2847623829495278	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CC(C4)O	P11309	Q9P1W9	8.0	6.847711655616943	1.1522883443830567	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)N	P11309	Q9P1W9	8.346668387223861	7.226235711770109	1.1204326754537526	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)O	P11309	Q9P1W9	8.048564652732972	7.042352858488657	1.0062117942443152	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC4	P11309	Q9P1W9	8.045757490560675	7.167491087293763	0.8782664032669114	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCC4	P11309	Q9P1W9	7.886056647693163	6.7121982700697735	1.1738583776233895	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCCC4	P11309	Q9P1W9	7.494850021680094	6.136677139879544	1.3581728818005496	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1C(F)(F)F)cc(o2)C(=O)O	P11309	Q9P1W9	5.275724130399211	4.869666231504994	0.4060578988942165	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(N2)O	P11309	Q9P1W9	6.769551078621726	7.154901959985743	0.3853508813640172	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3ccc(cc3F)C(=O)N)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	9.301029995663981	9.221848749616356	0.07918124604762511	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3ccc(cc3F)N)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	9.698970004336019	9.397940008672037	0.30102999566398125	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3ccc(cc3F)O)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	9.397940008672037	9.154901959985743	0.24303804868629442	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3ccnc(n3)NCCCCN)cc(o2)C(=O)O	P11309	Q9P1W9	6.337242168318426	6.229147988357856	0.10809417996056947	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3ccncc3F)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.397940008672037	8.221848749616356	0.17609125905568135	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)CN)cc(o2)C(=O)O	P11309	Q9P1W9	7.275724130399211	7.6777807052660805	0.40205657486686963	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O	P11309	Q9P1W9	6.809894379144197	7.113106777509403	0.30321239836520597	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cncc(n3)NC4CCNCC4)cc(o2)C(=O)O	P11309	Q9P1W9	6.6777807052660805	6.823908740944319	0.14612803567823818	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cncc(n3)NC4CNC4)cc(o2)C(=O)O	P11309	Q9P1W9	6.346787486224656	7.0	0.653212513775344	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cncc(n3)NCC4CCNCC4)cc(o2)C(=O)O	P11309	Q9P1W9	6.42021640338319	6.795880017344075	0.3756636139608851	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cnccc3F)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.698970004336019	8.301029995663981	0.3979400086720375	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cnccn3)cc(o2)C(=O)O	P11309	Q9P1W9	5.130768280269024	4.924453038607469	0.2063152416615548	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cnn(c3)C4CCNCC4)cc(o2)C(=O)O	P11309	Q9P1W9	5.221848749616356	5.236572006437063	0.014723256820706965	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cnn4c3nc(cc4)NCCN)[nH]c(=O)[nH]2	P11309	Q9P1W9	8.142667503568731	7.721246399047171	0.4214211045215599	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3cnn4c3nc(cc4)NCCN)ncs2	P11309	Q9P1W9	8.154901959985743	6.673664139071248	1.4812378209144947	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3nccc(n3)NCCCCN)cc(o2)C(=O)O	P11309	Q9P1W9	5.721246399047171	5.920818753952375	0.19957235490520375	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3nccs3)c(n[nH]2)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.522878745280337	8.096910013008056	0.42596873227228116	Same Family
[P11309, Q9P1W9]	c1cc2c(cc1c3nnc(s3)N)c(c[nH]2)c4cncc(n4)N	P11309	Q9P1W9	6.847711655616943	6.716698771296451	0.13101288432049252	Same Family
[P11309, Q9P1W9]	c1cc2c(ccs2)cc1c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	8.698970004336019	6.943095148663527	1.7558748556724915	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)C(=O)N)Nc4c(cccc4F)F	P11309	Q9P1W9	7.6020599913279625	8.397940008672037	0.795880017344075	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)N5CCCC5	P11309	Q9P1W9	6.7121982700697735	6.7594507517174005	0.047252481647626965	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)NC5CC5	P11309	Q9P1W9	7.886056647693163	8.096910013008056	0.21085336531489318	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)NC5CCC5	P11309	Q9P1W9	7.6020599913279625	7.698970004336019	0.09691001300805624	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)NC5CCCC5	P11309	Q9P1W9	7.4089353929735005	7.585026652029182	0.17609125905568135	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)NCCO	P11309	Q9P1W9	7.2839966563652006	7.259637310505756	0.02435934585944466	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5c(cccc5F)F	P11309	Q9P1W9	8.698970004336019	9.0	0.30102999566398125	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5cc(ccc5F)Cl	P11309	Q9P1W9	8.0	8.0	0.0	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5)Cl	P11309	Q9P1W9	7.552841968657781	7.6777807052660805	0.1249387366082999	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5)F	P11309	Q9P1W9	7.7447274948966935	7.795880017344075	0.05115252244738144	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5Cl)F	P11309	Q9P1W9	7.585026652029182	7.508638306165727	0.07638834586345489	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5Cl)O	P11309	Q9P1W9	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5Cl)OC(F)(F)F	P11309	Q9P1W9	7.346787486224656	6.94692155651658	0.399865929708076	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5Cl)OCCN6CCOCC6	P11309	Q9P1W9	8.698970004336019	8.154901959985743	0.5440680443502757	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5F)F	P11309	Q9P1W9	7.795880017344075	8.221848749616356	0.42596873227228116	Same Family
[P11309, Q9P1W9]	c1cc2c3cnccc3c(nc2c(c1)c4[nH]cnn4)Nc5ccc(cc5F)OCCN6CCCC6	P11309	Q9P1W9	8.397940008672037	7.920818753952375	0.4771212547196626	Same Family
[P11309, Q9P1W9]	c1cc2cn[nH]c2cc1c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	8.0268721464003	7.619788758288394	0.40708338811190714	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCC(C3)N	P11309	Q9P1W9	7.443697499232713	6.6020599913279625	0.8416375079047507	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCNCC3	P11309	Q9P1W9	7.552841968657781	6.7447274948966935	0.808114473761087	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3c(c4cccc(c4n2)c5[nH]cnn5)scn3)Cl	P11309	Q9P1W9	8.096910013008056	8.045757490560675	0.05115252244738144	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3c(ccs3)c4cccc(c4n2)c5[nH]cnn5)Cl	P11309	Q9P1W9	8.397940008672037	8.221848749616356	0.17609125905568135	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3cccn3c4cccc(c4n2)c5[nH]cnn5)Cl	P11309	Q9P1W9	7.920818753952375	7.3872161432802645	0.5336026106721103	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3cccn3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	8.096910013008056	7.698970004336019	0.3979400086720375	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccncc3c4cccc(c4n2)C(=O)N)Cl	P11309	Q9P1W9	7.795880017344075	8.096910013008056	0.30102999566398125	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccncc3c4cccc(c4n2)C(=O)N)F	P11309	Q9P1W9	7.3872161432802645	8.0	0.6127838567197355	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5)Cl	P11309	Q9P1W9	8.301029995663981	8.221848749616356	0.07918124604762511	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccsc3c4cccc(c4n2)C(=O)N)Cl	P11309	Q9P1W9	8.301029995663981	7.920818753952375	0.38021124171160636	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccsc3c4cccc(c4n2)C(=O)O)Cl	P11309	Q9P1W9	7.161150909262744	6.91721462968355	0.24393627957919417	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5)Cl	P11309	Q9P1W9	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	8.698970004336019	8.698970004336019	0.0	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3cncn3c4cccc(c4n2)c5[nH]cnn5)F	P11309	Q9P1W9	7.42021640338319	7.366531544420414	0.05368485896277608	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)Nc2c3cscc3c4cccc(c4n2)c5[nH]cnn5)Cl	P11309	Q9P1W9	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	P11309	Q9P1W9	7.769551078621726	6.1073489661227	1.6622021124990258	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C#N)Cl	P11309	Q9P1W9	6.55129368009492	5.464832514885056	1.0864611652098644	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C(F)(F)F)Cl	P11309	Q9P1W9	7.638272163982407	5.632644078973981	2.005628085008426	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl)Cl	P11309	Q9P1W9	7.552841968657781	6.066512712151295	1.4863292565064858	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)N)Cl	P11309	Q9P1W9	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)O)Cl	P11309	Q9P1W9	6.634512015109101	5.425390058659813	1.2091219564492874	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)OC(F)(F)F)Cl	P11309	Q9P1W9	6.533132379645891	5.301029995663981	1.2321023839819096	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4ccc(cc4o3)O)Cl	P11309	Q9P1W9	6.688246138944246	5.62397081827182	1.0642753206724258	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2cc3n(c2)C(CNC3=O)CC(=O)NCC4CCCCC4)F	P11309	Q9P1W9	6.906578314837765	5.505845405981558	1.4007329088562077	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6)F	P11309	Q9P1W9	9.045757490560675	8.886056647693163	0.15970084286751174	Same Family
[P11309, Q9P1W9]	c1ccc(c(c1)c2cccc(n2)CNc3cnccc3OC4CCNCC4)F	P11309	Q9P1W9	7.468521082957745	5.443697499232713	2.0248235837250315	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)C(CN)NC(=O)CC2CNC(=O)c3n2cc(c3)c4cccc(c4)F	P11309	Q9P1W9	8.0	6.735182176990463	1.2648178230095368	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)C(CO)NC(=O)CC2CNC(=O)c3n2cc(c3)c4cccc(c4)F	P11309	Q9P1W9	7.060480747381382	6.287350298372789	0.7731304490085931	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q9P1W9	6.050609993355088	5.327902142064283	0.7227078512908047	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)CC(CO)NC(=O)CC2CNC(=O)c3n2cc(c3)c4cccc(c4)F	P11309	Q9P1W9	6.85078088734462	6.164943898279883	0.6858369890647369	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)CNc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.397940008672037	7.2839966563652006	1.113943352306837	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)COc2cccc(c2)c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	6.866461091629782	6.052566278112949	0.8138948135168329	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)Nc2c3c(ccs3)c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.795880017344075	7.853871964321762	0.05799194697768684	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)Nc2c3cccn3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.853871964321762	7.522878745280337	0.3309932190414244	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)Nc2c3ccncc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.769551078621726	8.0	0.2304489213782741	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)Nc2c3ccsc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	8.397940008672037	7.823908740944319	0.5740312677277188	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)Nc2c3cscc3c4cccc(c4n2)c5[nH]cnn5	P11309	Q9P1W9	7.568636235841013	7.769551078621726	0.2009148427807128	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6	P11309	Q9P1W9	8.795880017344075	8.366531544420413	0.4293484729236621	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)c2ccc3c(c2)c4c(o3)c(=O)[nH]c(n4)c5ccccc5Cl	P11309	Q9P1W9	5.40197592766581	5.301029995663981	0.10094593200182889	Same Family
[P11309, Q9P1W9]	c1ccc(cc1)c2cccc(c2)c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	8.0	6.863279432843593	1.1367205671564067	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q9P1W9	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)c3c4cn[nH]c4c5c6ccccc6[nH]c5c3[nH]2	P11309	Q9P1W9	6.823908740944319	6.229147988357856	0.5947607525864624	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	P11309	Q9P1W9	6.920818753952375	6.292429823902063	0.6283889300503116	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CCCC5)C=O	P11309	Q9P1W9	8.096910013008056	6.455931955649724	1.640978057358332	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)cc(cn2)c3c4cc(ccc4[nH]n3)c5cnc(s5)N	P11309	Q9P1W9	7.769551078621726	7.508638306165727	0.260912772455999	Same Family
[P11309, Q9P1W9]	c1ccc2c(c1)cc(cn2)c3c[nH]c4c3cc(cc4)c5cnc(s5)N	P11309	Q9P1W9	6.505845405981558	5.567030709125595	0.938814696855963	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N5CCNCC5	P11309	Q9P1W9	8.167491087293763	5.835052627378158	2.332438459915605	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CCC(CC5)N	P11309	Q9P1W9	8.508638306165727	6.721246399047171	1.7873919071185558	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CCCCC5N	P11309	Q9P1W9	8.537602002101044	6.804100347590766	1.7335016545102784	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CNC5	P11309	Q9P1W9	7.6020599913279625	6.1073489661227	1.4947110252052624	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NCCCN	P11309	Q9P1W9	8.292429823902063	5.637894680706227	2.6545351431958366	Same Family
[P11309, Q9P1W9]	c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NCCN	P11309	Q9P1W9	8.823908740944319	7.060480747381382	1.763427993562937	Same Family
[P11309, Q9P1W9]	c1cnc(nc1c2cc3n(c2)C(CNC3=O)CC(=O)NCC4CCCCC4)Cl	P11309	Q9P1W9	7.481486060122113	5.881074247174223	1.6004118129478897	Same Family
[P11309, Q9P1W9]	c1cnccc1CCOc2cc(cc3c2oc(c3)C(=O)O)Br	P11309	Q9P1W9	5.346787486224656	4.675717544702307	0.6710699415223491	Same Family
[P11309, Q9P1W9]	c1cnccc1COc2cc(cc3c2oc(c3)C(=O)O)Br	P11309	Q9P1W9	5.309803919971486	4.903089986991944	0.4067139329795424	Same Family
[P11309, Q86V86]	C=C1CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F	P11309	Q86V86	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P11309, Q86V86]	CC(=O)Nc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	5.301029995663981	5.932557157223619	0.6315271615596378	Same Family
[P11309, Q86V86]	CC(=O)c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)CN4CCN(CC4)C	P11309	Q86V86	6.1938200260161125	6.6020599913279625	0.40823996531185003	Same Family
[P11309, Q86V86]	CC(C)(C)OC(=O)NC1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	P11309	Q86V86	5.823908740944319	5.494850021680094	0.3290587192642249	Same Family
[P11309, Q86V86]	CC(C)Oc1cnc(cn1)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q86V86	6.581698708680254	6.732828271596986	0.15112956291673196	Same Family
[P11309, Q86V86]	CC(C)c1ccccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	6.424812155072339	6.0915149811213505	0.3332971739509887	Same Family
[P11309, Q86V86]	CC(c1[nH]c(=O)c2c(n1)c3cc(ccc3o2)Br)N4CCN(CC4)C	P11309	Q86V86	7.795880017344075	7.455931955649724	0.33994806169435066	Same Family
[P11309, Q86V86]	CC(c1c(ccc2c1OC(=Cc3c4cccnc4[nH]n3)C2=O)OC)N5CCNCC5	P11309	Q86V86	8.721246399047171	8.602059991327963	0.11918640771920863	Same Family
[P11309, Q86V86]	CC1(CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F)C	P11309	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[P11309, Q86V86]	CCN(CC)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.764471553092451	7.519993057042849	0.24447849604960226	Same Family
[P11309, Q86V86]	CCN(CC)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.462180904926726	7.254144804826271	0.20803610010045492	Same Family
[P11309, Q86V86]	CCN(CC)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	8.55284196865778	8.00436480540245	0.5484771632553311	Same Family
[P11309, Q86V86]	CCN(CC)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.58838029403677	7.522878745280337	0.06550154875643255	Same Family
[P11309, Q86V86]	CCOc1cc(ccc1O)C=C2C(=O)NC(=O)S2	P11309	Q86V86	6.795880017344075	6.4089353929735005	0.38694462437057453	Same Family
[P11309, Q86V86]	CCOc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q86V86	8.0	8.221848749616356	0.22184874961635614	Same Family
[P11309, Q86V86]	CCOc1cccc(n1)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q86V86	7.3101659829831735	8.522878745280337	1.2127127622971638	Same Family
[P11309, Q86V86]	CCOc1cncc(n1)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q86V86	7.18837535480105	8.096910013008056	0.9085346582070066	Same Family
[P11309, Q86V86]	CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.345823458122039	7.293282217663242	0.05254124045879749	Same Family
[P11309, Q86V86]	CCc1c(c2c3c(cc(c2[nH]1)[N+](=O)[O-])cn[nH]3)c4ccccc4	P11309	Q86V86	6.638272163982407	6.924453038607469	0.28618087462506203	Same Family
[P11309, Q86V86]	CCc1cccc2c1[nH]c3c2ccc4c3[nH]cc4C=O	P11309	Q86V86	7.180456064458132	7.221848749616356	0.041392685158224474	Same Family
[P11309, Q86V86]	CN(C)C1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	P11309	Q86V86	7.214670164989233	6.958607314841775	0.2560628501474582	Same Family
[P11309, Q86V86]	CN(C)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.73754891026957	7.504455662453552	0.2330932478160186	Same Family
[P11309, Q86V86]	CN(C)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.728158393463501	7.688246138944246	0.03991225451925562	Same Family
[P11309, Q86V86]	CN(C)CCN(C)c1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	8.096910013008056	8.10790539730952	0.010995384301462963	Same Family
[P11309, Q86V86]	CN(C)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	8.468521082957745	8.187086643357144	0.28143443960060033	Same Family
[P11309, Q86V86]	CN(C)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	P11309	Q86V86	7.690369832574102	7.663540266151471	0.02682956642263079	Same Family
[P11309, Q86V86]	CN1CC2CC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q86V86	8.0	8.045757490560675	0.045757490560674796	Same Family
[P11309, Q86V86]	CN1CC2CCC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q86V86	8.522878745280337	7.7447274948966935	0.7781512503836439	Same Family
[P11309, Q86V86]	CN1CCCC(C1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	7.7447274948966935	7.508638306165727	0.23608918873096663	Same Family
[P11309, Q86V86]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)Cl	P11309	Q86V86	7.522878745280337	7.920818753952375	0.3979400086720375	Same Family
[P11309, Q86V86]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	7.568636235841013	7.958607314841775	0.38997107900076156	Same Family
[P11309, Q86V86]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5	P11309	Q86V86	6.236572006437063	6.795880017344075	0.5593080109070119	Same Family
[P11309, Q86V86]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl	P11309	Q86V86	7.113509274827518	7.468521082957745	0.3550118081302269	Same Family
[P11309, Q86V86]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)I	P11309	Q86V86	7.619788758288394	7.958607314841775	0.338818556553381	Same Family
[P11309, Q86V86]	CNc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	5.525492360883025	5.9051796196452	0.3796872587621758	Same Family
[P11309, Q86V86]	CNc1nnc(s1)c2ccc3c(c2)c(c[nH]3)c4cc5ccccc5nc4	P11309	Q86V86	6.565431095965801	6.7423214251308154	0.17689032916501457	Same Family
[P11309, Q86V86]	COC(=O)c1cc2c3ccccc3[nH]c2c4c1cc[nH]4	P11309	Q86V86	5.522878745280337	6.301029995663981	0.7781512503836439	Same Family
[P11309, Q86V86]	COC(=O)c1cccc2c1[nH]c3c2ccc4c3[nH]cc4C=O	P11309	Q86V86	7.522878745280337	7.3979400086720375	0.1249387366082999	Same Family
[P11309, Q86V86]	COc1ccc(cc1OC)C=C2C(=O)NC(=O)S2	P11309	Q86V86	6.022276394711152	6.552841968657781	0.5305655739466282	Same Family
[P11309, Q86V86]	COc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	7.214670164989233	7.508638306165727	0.29396814117649406	Same Family
[P11309, Q86V86]	COc1ccc2c(c1)c3c4c(cc(c3[nH]2)[N+](=O)[O-])cn[nH]4	P11309	Q86V86	6.657577319177793	6.958607314841775	0.30102999566398125	Same Family
[P11309, Q86V86]	COc1ccc2c(c1)c3c4cn[nH]c4cc(c3[nH]2)[N+](=O)[O-]	P11309	Q86V86	6.823908740944319	6.958607314841775	0.134698573897456	Same Family
[P11309, Q86V86]	COc1ccc2c(c1)cnc3c2c4cn[nH]c4cc3[N+](=O)[O-]	P11309	Q86V86	6.920818753952375	6.853871964321762	0.06694678963061307	Same Family
[P11309, Q86V86]	COc1ccc2c(c1)oc3c2nc([nH]c3=O)c4ccccc4Cl	P11309	Q86V86	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q86V86]	COc1cccc(c1Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	7.823908740944319	7.6777807052660805	0.14612803567823818	Same Family
[P11309, Q86V86]	COc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q86V86	7.698970004336019	8.0	0.30102999566398125	Same Family
[P11309, Q86V86]	COc1cccc2c1c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	5.72792621249999	6.070581074285707	0.342654861785717	Same Family
[P11309, Q86V86]	CS(=O)(=O)OC1Cn2cc(c3c2c4c(cc3)c5ccccc5n4C1)C=O	P11309	Q86V86	5.806875401645538	6.221848749616356	0.4149733479708182	Same Family
[P11309, Q86V86]	CSc1nnc(s1)c2ccc3c(c2)c(c[nH]3)c4cc5ccccc5nc4	P11309	Q86V86	5.548213564475709	5.386158178123931	0.16205538635177863	Same Family
[P11309, Q86V86]	C[N+](C)(CCO)Cc1cn(nn1)CCCCn2c3ccccc3c4c2c5c(cc4)c(c[nH]5)C=O	P11309	Q86V86	6.485452247339714	6.309803919971486	0.17564832736822744	Same Family
[P11309, Q86V86]	Cc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	7.00436480540245	6.982966660701219	0.021398144701231026	Same Family
[P11309, Q86V86]	Cc1nnc(o1)c2cccc(c2)c3cnn4c3nc(cc4)NCCN	P11309	Q86V86	8.886056647693163	8.744727494896694	0.14132915279646951	Same Family
[P11309, Q86V86]	c1c[nH]c2c1c3c(cc2N)cn[nH]3	P11309	Q86V86	6.337242168318426	7.481486060122113	1.1442438918036872	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Br)N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q86V86	8.0	8.0	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	8.096910013008056	8.096910013008056	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Cl)N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q86V86	7.698970004336019	7.698970004336019	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Cl)N2CCNCC2)C=C3C(=O)NC(=O)S3	P11309	Q86V86	7.7447274948966935	7.585026652029182	0.15970084286751174	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)F	P11309	Q86V86	7.455931955649724	7.638272163982407	0.1823402083326826	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5)F	P11309	Q86V86	6.303643611266668	6.779891911959945	0.4762483006932774	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2c[nH]c3c2cc(cc3)c4nnc(s4)N)F	P11309	Q86V86	6.752026733638194	7.013228265733755	0.2612015320955612	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(C5)N)F	P11309	Q86V86	7.958607314841775	8.221848749616356	0.2632414347745815	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)N)F	P11309	Q86V86	8.698970004336019	9.0	0.30102999566398125	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)O)F	P11309	Q86V86	7.356547323513813	7.6777807052660805	0.32123338175226746	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCC(C5)N)F	P11309	Q86V86	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCCC5)F	P11309	Q86V86	6.896196279044043	6.847711655616943	0.04848462342709947	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCNCC5)F	P11309	Q86V86	7.958607314841775	8.154901959985743	0.19629464514396844	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCNCC5)F	P11309	Q86V86	8.154901959985743	8.221848749616356	0.06694678963061307	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCCNC5)F	P11309	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNC5)F	P11309	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNCC5)F	P11309	Q86V86	8.698970004336019	9.154901959985743	0.45593195564972433	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CNC5)F	P11309	Q86V86	7.823908740944319	8.221848749616356	0.3979400086720375	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCCNC5)F	P11309	Q86V86	8.154901959985743	8.301029995663981	0.14612803567823818	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCNCC5)F	P11309	Q86V86	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2cccc(n2)C(=O)Nc3cnccc3OC4CCNCC4)F	P11309	Q86V86	8.397940008672037	9.0	0.6020599913279625	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3OC4CCNC4)F	P11309	Q86V86	9.0	9.0	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cccnc3)F	P11309	Q86V86	6.0	6.045757490560675	0.045757490560674796	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCC(CC4)O)F	P11309	Q86V86	9.0	8.698970004336019	0.30102999566398125	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCCCC4)F	P11309	Q86V86	9.0	7.958607314841775	1.0413926851582254	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCNCC4)F	P11309	Q86V86	9.0	9.0	0.0	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCOCC4)F	P11309	Q86V86	8.397940008672037	8.301029995663981	0.09691001300805624	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OCC4CCOCC4)F	P11309	Q86V86	9.0	8.154901959985743	0.8450980400142569	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)c3ccc(cc3)C(=O)N)F	P11309	Q86V86	5.301029995663981	5.468521082957745	0.16749108729376339	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)F)c2nc(cs2)c3ccc4c(c3)c(ccn4)N5CCNCC5)F	P11309	Q86V86	7.6777807052660805	8.301029995663981	0.6232492903979008	Same Family
[P11309, Q86V86]	c1cc(c(c(c1)c2ccncc2)N3CCCC(C3)N)C=C4C(=O)NC(=O)S4	P11309	Q86V86	8.397940008672037	7.909078206027614	0.4888618026444238	Same Family
[P11309, Q86V86]	c1cc(c(cc1C(=O)NCCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q86V86	8.397940008672037	7.698970004336019	0.6989700043360187	Same Family
[P11309, Q86V86]	c1cc(c(cc1CN)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	8.522878745280337	8.096910013008056	0.42596873227228116	Same Family
[P11309, Q86V86]	c1cc(c(cc1CNC2CCNCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q86V86	8.397940008672037	8.096910013008056	0.30102999566398125	Same Family
[P11309, Q86V86]	c1cc(c(cc1Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	7.958607314841775	7.769551078621726	0.18905623622004875	Same Family
[P11309, Q86V86]	c1cc(c(cc1Cl)N2CCC(C2)N)C=C3C(=O)NC(=O)S3	P11309	Q86V86	7.920818753952375	8.301029995663981	0.38021124171160636	Same Family
[P11309, Q86V86]	c1cc(c(cc1F)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	P11309	Q86V86	7.619788758288394	7.638272163982407	0.0184834056940133	Same Family
[P11309, Q86V86]	c1cc(c(cc1F)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	P11309	Q86V86	7.853871964321762	7.886056647693163	0.032184683371401235	Same Family
[P11309, Q86V86]	c1cc(c(cc1NC(=O)CCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	P11309	Q86V86	8.522878745280337	8.301029995663981	0.22184874961635614	Same Family
[P11309, Q86V86]	c1cc(c2c(c1)sc(n2)c3c(cccc3F)F)Nc4cnccc4OC5CCNC5	P11309	Q86V86	7.309803919971486	8.0	0.6901960800285138	Same Family
[P11309, Q86V86]	c1cc(ccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)NCC5CCNCC5	P11309	Q86V86	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P11309, Q86V86]	c1cc(ccc1c2c[nH]c3c2c(ncn3)NCCO)C(=O)N	P11309	Q86V86	7.6777807052660805	7.585026652029182	0.09275405323689867	Same Family
[P11309, Q86V86]	c1cc(cnc1)C(=O)Nc2cc(cc3c2[nH]c4c3ccnc4)Cl	P11309	Q86V86	5.958607314841775	6.055517327849832	0.09691001300805713	Same Family
[P11309, Q86V86]	c1cc(nc(c1)N)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	P11309	Q86V86	6.062983892535186	6.730487055782084	0.6675031632468977	Same Family
[P11309, Q86V86]	c1cc(nc(c1)N2CCOCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	P11309	Q86V86	7.307018214699651	8.221848749616356	0.914830534916705	Same Family
[P11309, Q86V86]	c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	P11309	Q86V86	7.437747887582859	8.301029995663981	0.8632821080811226	Same Family
[P11309, Q86V86]	c1cc(nc(c1)NC2CCCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	P11309	Q86V86	6.962573502059376	7.657577319177793	0.6950038171184172	Same Family
[P11309, Q86V86]	c1cc(nc(c1)c2c(cccc2F)F)CNc3cnccc3OC4CCNCC4	P11309	Q86V86	6.259637310505756	6.6020599913279625	0.3424226808222066	Same Family
[P11309, Q86V86]	c1cc2c(c3ccc4c(c[nH]c4c3[nH]2)C=O)c(c1)Br	P11309	Q86V86	8.167491087293763	7.906578314837765	0.2609127724559981	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CC(C4)O	P11309	Q86V86	8.0	7.958607314841775	0.04139268515822536	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)N	P11309	Q86V86	8.346668387223861	8.090228032229065	0.2564403549947958	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)O	P11309	Q86V86	8.048564652732972	8.198970004336019	0.15040535160304636	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC4	P11309	Q86V86	8.045757490560675	8.0	0.045757490560674796	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCC4	P11309	Q86V86	7.886056647693163	7.920818753952375	0.034762106259211834	Same Family
[P11309, Q86V86]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCCC4	P11309	Q86V86	7.494850021680094	7.3872161432802645	0.10763387839982919	Same Family
[P11309, Q86V86]	c1cc2c(cc1Cl)c3c4cn[nH]c4cc(c3[nH]2)N	P11309	Q86V86	5.958607314841775	6.958607314841775	1.0	Same Family
[P11309, Q86V86]	c1cc2c(cc1Cl)c3c4cn[nH]c4cc(c3[nH]2)[N+](=O)[O-]	P11309	Q86V86	6.698970004336019	6.638272163982407	0.06069784035361181	Same Family
[P11309, Q86V86]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(N2)O	P11309	Q86V86	6.769551078621726	7.0	0.2304489213782741	Same Family
[P11309, Q86V86]	c1cc2c(cc1c3nnc(s3)N)c(c[nH]2)c4cncc(n4)N	P11309	Q86V86	6.847711655616943	7.5376020021010435	0.6898903464841002	Same Family
[P11309, Q86V86]	c1cc2c3ccc4c(c[nH]c4c3[nH]c2c(c1)Br)C=O	P11309	Q86V86	7.508638306165727	7.619788758288394	0.11115045212266672	Same Family
[P11309, Q86V86]	c1cc2c3ccc4c(c[nH]c4c3[nH]c2c(c1)C(F)(F)F)C=O	P11309	Q86V86	7.7447274948966935	8.221848749616356	0.4771212547196626	Same Family
[P11309, Q86V86]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCC(C3)N	P11309	Q86V86	7.443697499232713	7.376750709602099	0.06694678963061396	Same Family
[P11309, Q86V86]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCNCC3	P11309	Q86V86	7.552841968657781	7.443697499232713	0.10914446942506739	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	P11309	Q86V86	7.769551078621726	7.7447274948966935	0.02482358372503235	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C#N)Cl	P11309	Q86V86	6.55129368009492	6.690369832574102	0.13907615247918148	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C(F)(F)F)Cl	P11309	Q86V86	7.638272163982407	6.991399828238082	0.6468723357443249	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl)Cl	P11309	Q86V86	7.552841968657781	7.522878745280337	0.02996322337744317	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)N)Cl	P11309	Q86V86	5.301029995663981	5.35723879673468	0.05620880107069848	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)O)Cl	P11309	Q86V86	6.634512015109101	6.97469413473523	0.340182119626129	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)OC(F)(F)F)Cl	P11309	Q86V86	6.533132379645891	6.543633966870957	0.010501587225066444	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4ccc(cc4o3)O)Cl	P11309	Q86V86	6.688246138944246	7.1487416512809245	0.46049551233667874	Same Family
[P11309, Q86V86]	c1ccc(c(c1)c2cccc(n2)CNc3cnccc3OC4CCNCC4)F	P11309	Q86V86	7.468521082957745	7.327902142064283	0.14061894089346172	Same Family
[P11309, Q86V86]	c1ccc(cc1)C=C2C(=O)NC(=O)S2	P11309	Q86V86	6.050609993355088	6.136677139879544	0.08606714652445646	Same Family
[P11309, Q86V86]	c1ccc(cc1)c2c[nH]c3c2c4c(cc3[N+](=O)[O-])cn[nH]4	P11309	Q86V86	6.0	6.275724130399211	0.27572413039921084	Same Family
[P11309, Q86V86]	c1ccc(cc1)c2ccc3c(c2)c4c(o3)c(=O)[nH]c(n4)c5ccccc5Cl	P11309	Q86V86	5.40197592766581	7.055517327849832	1.6535414001840216	Same Family
[P11309, Q86V86]	c1ccc(cc1)c2cccc3c2oc(cc3=O)N4CCOCC4	P11309	Q86V86	5.74206307814416	5.853871964321762	0.11180888617760143	Same Family
[P11309, Q86V86]	c1ccc2c(c1)NC(=C(C#N)c3ccnc(n3)NCCc4cccnc4)S2	P11309	Q86V86	7.096910013008056	7.522878745280337	0.42596873227228116	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	P11309	Q86V86	5.301029995663981	5.301029995663981	0.0	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3c4c(cc(c3[nH]2)[N+](=O)[O-])cn[nH]4	P11309	Q86V86	6.3979400086720375	6.6777807052660805	0.279840696594043	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3c4cn[nH]c4c5c6ccccc6[nH]c5c3[nH]2	P11309	Q86V86	6.823908740944319	7.657577319177793	0.8336685782334747	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3c4cn[nH]c4cc(c3[nH]2)[N+](=O)[O-]	P11309	Q86V86	7.3979400086720375	7.0	0.3979400086720375	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	P11309	Q86V86	6.920818753952375	8.0	1.079181246047625	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(c[nH]c4c3n2CCCCN=[N+]=N)C=O	P11309	Q86V86	6.978810700930062	6.966576244513051	0.012234456417011152	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(c[nH]c4c3n2CCCCn5cc(nn5)CO)C=O	P11309	Q86V86	6.501689446210399	6.628932137728264	0.12724269151786505	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CC(C5)O)C=O	P11309	Q86V86	5.853871964321762	6.42021640338319	0.5663444390614281	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CC(C5)OCC#N)C=O	P11309	Q86V86	6.4089353929735005	6.721246399047171	0.3123110060736707	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CC(C5)OCCCBr)C=O	P11309	Q86V86	6.130768280269024	6.468521082957745	0.3377528026887209	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CC(C5)OCCO)C=O	P11309	Q86V86	5.958607314841775	6.154901959985743	0.19629464514396844	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CCC5)C=O	P11309	Q86V86	7.376750709602099	7.301029995663981	0.07572071393811797	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CCCC5)C=O	P11309	Q86V86	8.096910013008056	7.886056647693163	0.21085336531489318	Same Family
[P11309, Q86V86]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CCCCC5)C=O	P11309	Q86V86	8.045757490560675	7.585026652029182	0.460730838531493	Same Family
[P11309, Q86V86]	c1ccc2c(c1)cc(cn2)c3c4cc(ccc4[nH]n3)c5cnc(s5)N	P11309	Q86V86	7.769551078621726	8.154901959985743	0.3853508813640172	Same Family
[P11309, Q86V86]	c1ccc2c(c1)cc(cn2)c3c[nH]c4c3cc(cc4)c5cnc(s5)N	P11309	Q86V86	6.505845405981558	6.573488738635425	0.06764333265386746	Same Family
[P11309, Q86V86]	c1ccc2c(c1)cnc3c2c4cn[nH]c4cc3[N+](=O)[O-]	P11309	Q86V86	7.154901959985743	7.698970004336019	0.5440680443502757	Same Family
[P11309, Q86Z02]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P11309	Q86Z02	4.7848914189469065	4.689731633367552	0.09515978557935423	Different Group
[P11309, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	4.928117992693875	5.139661993429006	0.21154400073513102	Different Group
[P11309, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P11309	Q86Z02	5.0670191780768015	4.882728704344236	0.1842904737325659	Different Group
[P11309, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	5.548213564475709	5.493494967595128	0.05471859688058167	Different Group
[P11309, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	Q86Z02	5.356547323513812	5.39577394691553	0.03922662340171801	Different Group
[P11309, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	Q86Z02	4.945386945443112	4.897909474488164	0.047477470954948586	Different Group
[P11309, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P11309	Q86Z02	4.505845405981558	4.926281649653878	0.42043624367232013	Different Group
[P11309, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	5.308918507877031	6.035269078946371	0.7263505710693394	Different Group
[P11309, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	5.55129368009492	5.5638373529592435	0.01254367286432334	Different Group
[P11309, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	4.562249437179612	4.515557792357593	0.04669164482201893	Different Group
[P11309, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P11309	Q86Z02	5.583359492661719	5.586700235918748	0.003340743257028933	Different Group
[P11309, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P11309	Q86Z02	5.080921907623926	5.088842391260023	0.007920483636096876	Different Group
[P06239, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P06239	6.795880017344075	5.7447274948966935	1.0511525224473814	Different Family
[P06239, P52333]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P52333	P06239	5.769551078621726	6.496981022501341	0.7274299438796152	Different Family
[P06239, P52333]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P52333	P06239	4.522878745280337	6.214670164989233	1.6917914197088955	Different Family
[P06239, P52333]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P52333	P06239	4.522878745280337	5.434152181326482	0.9112734360461445	Different Family
[P06239, P52333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P52333	P06239	4.6020599913279625	5.958607314841775	1.3565473235138121	Different Family
[P06239, P52333]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P52333	P06239	6.277366077466188	5.35261702988538	0.924749047580808	Different Family
[P06239, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P52333	P06239	5.101274818410507	6.212221349969987	1.1109465315594802	Different Family
[P06239, P52333]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P52333	P06239	7.823908740944319	6.667561540084395	1.1563472008599236	Different Family
[P06239, P52333]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P52333	P06239	5.275724130399211	6.657577319177793	1.3818531887785825	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	P06239	7.698970004336019	9.698970004336019	2.0	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	P06239	6.254144804826271	9.221848749616356	2.9677039447900855	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	P52333	P06239	6.714442690992226	8.698970004336019	1.9845273133437926	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P52333	P06239	6.5968794788241825	7.318758762624412	0.7218792838002299	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	P52333	P06239	6.005682847330363	8.698970004336019	2.6932871570056554	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	P52333	P06239	6.141462802430361	9.397940008672037	3.2564772062416765	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P52333	P06239	6.061480274823508	9.301029995663981	3.239549720840473	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P52333	P06239	7.795880017344075	9.301029995663981	1.5051499783199063	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	P52333	P06239	6.97469413473523	8.522878745280337	1.5481846105451078	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	P06239	7.795880017344075	9.522878745280337	1.7269987279362624	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	P06239	6.876148359032914	11.0	4.123851640967086	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	P52333	P06239	5.873219422987991	9.522878745280337	3.6496593222923464	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	P52333	P06239	5.942714355581785	8.096910013008056	2.1541956574262713	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	P52333	P06239	6.812479279163537	9.522878745280337	2.7103994661168	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P06239	6.480172006224281	10.154901959985743	3.674729953761462	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P06239	5.659754238432068	9.397940008672037	3.7381857702399692	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P52333	P06239	7.142667503568732	9.698970004336019	2.556302500767287	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P06239	6.20342566678957	8.522878745280337	2.319453078490767	Different Family
[P06239, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P06239	7.337242168318426	9.0	1.6627578316815743	Different Family
[P06239, P52333]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P52333	P06239	5.920818753952375	9.221848749616356	3.3010299956639813	Different Family
[P06239, P52333]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	P52333	P06239	5.0079327399723335	7.026872146400302	2.018939406427968	Different Family
[P06239, P52333]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P52333	P06239	5.089375595110798	6.247183568811729	1.1578079737009306	Different Family
[P06239, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	P06239	5.142667503568732	6.161150909262744	1.0184834056940124	Different Family
[P52333, Q16539]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	Q16539	5.518557371497695	4.482804102050026	1.0357532694476692	Different Group
[P52333, Q16539]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	Q16539	5.585026652029182	6.638272163982407	1.0532455119532251	Different Group
[P52333, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P52333	Q16539	4.6020599913279625	5.431798275933005	0.8297382846050425	Different Group
[P52333, Q16539]	CSc1nccc(n1)c2c(nc([nH]2)c3ccc(cc3)O)c4ccc(cc4)F	P52333	Q16539	4.106238237942057	7.019996628416254	2.9137583904741975	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	Q16539	7.698970004336019	8.221848749616356	0.5228787452803374	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	Q16539	6.254144804826271	6.962573502059376	0.7084286972331055	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	P52333	Q16539	6.714442690992226	6.764471553092451	0.05002886210022517	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P52333	Q16539	6.5968794788241825	6.774690718274138	0.17781123944995514	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	P52333	Q16539	6.005682847330363	8.397940008672037	2.392257161341674	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	P52333	Q16539	6.141462802430361	7.508638306165727	1.367175503735366	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P52333	Q16539	6.061480274823508	8.045757490560675	1.9842772157371664	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P52333	Q16539	7.795880017344075	7.853871964321762	0.05799194697768684	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	P52333	Q16539	6.97469413473523	6.856985199745905	0.11770893498932455	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	Q16539	7.795880017344075	8.698970004336019	0.9030899869919438	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	Q16539	6.876148359032914	7.301029995663981	0.42488163663106704	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	P52333	Q16539	5.873219422987991	7.6777807052660805	1.8045612822780894	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	P52333	Q16539	5.942714355581785	8.301029995663981	2.3583156400821963	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	P52333	Q16539	6.812479279163537	9.045757490560675	2.2332782113971374	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	Q16539	6.480172006224281	8.698970004336019	2.2187979981117376	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	Q16539	5.659754238432068	7.6020599913279625	1.9423057528958942	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P52333	Q16539	7.142667503568732	8.522878745280337	1.3802112417116055	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	Q16539	6.20342566678957	7.3979400086720375	1.194514341882467	Different Group
[P52333, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	Q16539	7.337242168318426	7.2441251443275085	0.09311702399091715	Different Group
[P52333, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P52333	Q16539	5.920818753952375	6.275724130399211	0.35490537644683595	Different Group
[P52333, Q16539]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	P52333	Q16539	5.0079327399723335	5.408601448718751	0.4006687087464176	Different Group
[P52333, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	Q16539	5.142667503568732	5.318758762624412	0.17609125905568046	Different Group
[P52333, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P52333	Q16539	5.4089353929735005	5.531652669587842	0.12271727661434184	Different Group
[P52333, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P52333	Q16539	4.841637507904751	5.304518323509803	0.4628808156050521	Different Group
[P52333, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P52333	Q16539	6.106238237942057	5.5968794788241825	0.5093587591178741	Different Group
[P52333, Q16539]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P52333	Q16539	4.928117992693875	5.943095148663527	1.0149771559696523	Different Group
[P52333, Q16539]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	P52333	Q16539	4.669586226650809	5.166852888087215	0.49726666143640585	Different Group
[P52333, Q16539]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	Q16539	4.97469413473523	4.730487055782084	0.24420707895314564	Different Group
[P52333, Q16539]	c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	P52333	Q16539	6.299997602857746	4.060480747381382	2.2395168554763645	Different Group
[P52333, Q05397]	CC(=O)Nc1ccc(cc1)Sc2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)C(=O)OC(C)(C)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	6.790404567999144	5.000043431619807	1.790361136379337	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(C(C1)O)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.147886139150239	5.523975999975621	1.623910139174618	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(C1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	P52333	Q05397	5.487235581459991	5.000043431619807	0.4871921498401841	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(cnc5OC)C(F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	P52333	Q05397	6.000434511774017	5.000043431619807	1.00039108015421	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	P52333	Q05397	5.7826503130122315	5.000043431619807	0.7826068813924243	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	P52333	Q05397	5.956378401806097	5.000043431619807	0.9563349701862895	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.665164398473644	5.000043431619807	1.665120966853837	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(cn2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.679438319804763	5.5230235342404725	2.156414785564291	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.29929628285498	6.444421927227045	0.8548743556279357	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.527185063781897	5.000043431619807	1.52714163216209	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.187153463032929	5.000043431619807	0.18711003141312155	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5F)C(F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5cnn6C	P52333	Q05397	6.6441655041150645	5.754432178912354	0.8897333252027106	Different Family
[P52333, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	P52333	Q05397	5.595075672331118	5.000043431619807	0.5950322407113111	Different Family
[P52333, Q05397]	CC(C)(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	P52333	Q05397	6.956794961112342	5.688369029890372	1.2684259312219703	Different Family
[P52333, Q05397]	CC(C)COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	Q05397	6.465707303733072	5.5230235342404725	0.9426837694925991	Different Family
[P52333, Q05397]	CC(C)COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	Q05397	5.000043431619807	5.699187205881883	0.6991437742620761	Different Family
[P52333, Q05397]	CC(C)Oc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	P52333	Q05397	5.488355900953956	5.259716280318121	0.22863962063583543	Different Family
[P52333, Q05397]	CC(C)S(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	P52333	Q05397	7.372634143407267	6.513711239039433	0.8589229043678337	Different Family
[P52333, Q05397]	CC(C)S(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)C	P52333	Q05397	7.421362301772982	6.062983892535186	1.3583784092377957	Different Family
[P52333, Q05397]	CC(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	P52333	Q05397	7.191399917491635	5.865522060633887	1.3258778568577485	Different Family
[P52333, Q05397]	CCN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.831826737829766	5.000043431619807	1.8317833062099584	Different Family
[P52333, Q05397]	CCN1CCP(=O)(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.237621570688036	5.729864080086943	1.5077574906010929	Different Family
[P52333, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	P52333	Q05397	5.842975625966126	5.748809686550092	0.09416593941603413	Different Family
[P52333, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	Q05397	5.470455440175067	5.5230235342404725	0.05256809406540519	Different Family
[P52333, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	Q05397	5.952892650683909	5.8822217708872415	0.07067087979666731	Different Family
[P52333, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)C(=O)OC(C)(C)C	P52333	Q05397	5.6219002109472775	5.000043431619807	0.6218567793274703	Different Family
[P52333, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C	P52333	Q05397	6.25418379171816	5.000043431619807	1.2541403600983525	Different Family
[P52333, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	Q05397	6.602894638250913	5.000043431619807	1.6028512066311054	Different Family
[P52333, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	Q05397	6.201777646082515	5.26153348293014	0.940244163152375	Different Family
[P52333, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)Oc4ccc(cc4)S(=O)(=O)C	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)C(F)(F)F	P52333	Q05397	7.153724757587787	5.000043431619807	2.1536813259679795	Different Family
[P52333, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.0003475746339205	5.000043431619807	2.0003041430141133	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	6.3818891182628255	6.000434511774017	0.38145460648880825	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	Q05397	5.789740353409887	5.5230235342404725	0.2667168191694147	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(cnc5OC)C(F)(F)F	P52333	Q05397	5.649114579623166	5.000043431619807	0.6490711480033591	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	P52333	Q05397	6.84357200768195	5.5230235342404725	1.3205484734414776	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	Q05397	6.5946365621230285	5.830466631711783	0.7641699304112457	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	P52333	Q05397	7.438660058541099	5.5230235342404725	1.9156365243006261	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	P52333	Q05397	7.040672354027829	5.5230235342404725	1.5176488197873566	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	Q05397	6.981341102414483	5.5230235342404725	1.4583175681740101	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc[nH]c5=O	P52333	Q05397	6.462331990154168	5.699187205881883	0.7631447842722849	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)OC	P52333	Q05397	6.744076541267098	6.000434511774017	0.7436420294930812	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	P52333	Q05397	7.017276612331455	5.5230235342404725	1.4942530780909822	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	P52333	Q05397	6.907595193100992	5.794070612392184	1.113524580708808	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	P52333	Q05397	5.773374321404195	6.000434511774017	0.22706019036982195	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	P52333	Q05397	6.3477052992747955	5.5230235342404725	0.824681765034323	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	Q05397	7.336770365467133	5.86192477377846	1.4748455916886725	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.951197081983394	6.1815563537221525	0.2303592717387586	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	Q05397	6.892247501259837	5.699187205881883	1.193060295377954	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	6.272645838942267	5.86473055945173	0.4079152794905365	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	Q05397	7.031517051446065	5.187153463032929	1.8443635884131364	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	6.125187803517263	5.699187205881883	0.42600059763537956	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)F	P52333	Q05397	6.823648242396929	6.160653957983927	0.6629942844130019	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	Q05397	5.777970621447387	6.000434511774017	0.2224638903266305	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)F	P52333	Q05397	5.000043431619807	5.950406010071216	0.9503625784514087	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)Cl	P52333	Q05397	5.989585547213886	6.3622301708441755	0.37264462363028983	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	Q05397	7.497299824689438	5.699187205881883	1.7981126188075542	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)F	P52333	Q05397	6.5342009013268205	5.5230235342404725	1.011177367086348	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	Q05397	6.455535067815931	5.770121144773173	0.6854139230427583	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	Q05397	6.760000207113128	5.000043431619807	1.759956775493321	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OCC(F)F	P52333	Q05397	5.96060967843377	5.614016786589819	0.3465928918439509	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	6.465681922721908	6.146216640790575	0.3194652819313326	Different Family
[P52333, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	P52333	Q05397	6.777751883141068	5.5230235342404725	1.2547283489005956	Different Family
[P52333, Q05397]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)CC(=O)N(C)C	P52333	Q05397	7.050268547684293	6.064115032036476	0.9861535156478167	Different Family
[P52333, Q05397]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	7.085339569410778	5.757346782590983	1.3279927868197952	Different Family
[P52333, Q05397]	CN(Cc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	6.541830686367165	5.5230235342404725	1.0188071521266924	Different Family
[P52333, Q05397]	CN(Cc1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	5.748868143273336	6.558509101462717	0.8096409581893811	Different Family
[P52333, Q05397]	CN(Cc1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	5.9313207334599305	5.699187205881883	0.23213352757804717	Different Family
[P52333, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)CCO)S(=O)(=O)C	P52333	Q05397	6.390501637029355	6.4210515083378885	0.030549871308533483	Different Family
[P52333, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	6.076730069584154	7.223807485252928	1.1470774156687744	Different Family
[P52333, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)S(=O)(=O)C)S(=O)(=O)C	P52333	Q05397	6.5622969902736505	6.123978560358524	0.4383184299151264	Different Family
[P52333, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4cccc(c4)S(=O)(=O)C)S(=O)(=O)C	P52333	Q05397	6.036292430137075	6.667339399729365	0.6310469695922905	Different Family
[P52333, Q05397]	CN(c1c(cccn1)Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	6.573618883821267	5.5230235342404725	1.050595349580794	Different Family
[P52333, Q05397]	CN(c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)S(=O)(=O)C	P52333	Q05397	7.9582126810282485	5.000043431619807	2.9581692494084413	Different Family
[P52333, Q05397]	CN(c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	6.493819795195838	5.6370164154510825	0.8568033797447558	Different Family
[P52333, Q05397]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	Q05397	6.461979539682871	7.8873949984654255	1.4254154587825543	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	5.840093083188988	6.269225796796773	0.4291327136077854	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.570926330509561	7.8671002300555175	1.2961738995459564	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	Q05397	6.611916568616351	6.907314437062509	0.295397868446158	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.078048347782763	7.111651989821951	1.0336036420391874	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	6.167912813102729	5.000043431619807	1.1678693814829222	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	P52333	Q05397	6.085704453898716	5.699187205881883	0.3865172480168324	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	Q05397	6.851181485397982	5.688508913624387	1.1626725717735944	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.777725850203437	5.684968492897591	1.092757357305846	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.460923901207224	6.24504041227829	1.2158834889289336	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	Q05397	6.666572878847038	6.000434511774017	0.666138367073021	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.212914890134604	6.576590272266906	0.6363246178676976	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	P52333	Q05397	6.674997747834962	6.119632359886307	0.5553653879486555	Different Family
[P52333, Q05397]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.080895746093729	5.5230235342404725	0.5578722118532564	Different Family
[P52333, Q05397]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)P(=O)(C)C	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.859711988188133	5.000043431619807	1.8596685565683257	Different Family
[P52333, Q05397]	CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3)Nc4nc5c(cccn5n4)c6ccc(cc6)S(=O)(=O)C	P52333	Q05397	7.505845405981558	6.773915884024176	0.7319295219573814	Different Family
[P52333, Q05397]	CN1CCN(CC1)C2CCN(CC2)c3cccc(c3)Nc4nc5c(cccn5n4)c6ccc(cc6)S(=O)(=O)C	P52333	Q05397	7.001774811865592	5.622475199326298	1.3792996125392936	Different Family
[P52333, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.23210238398191	5.948423041527461	1.283679342454449	Different Family
[P52333, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.118615343229427	6.579219380451435	0.5393959627779923	Different Family
[P52333, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	Q05397	6.658367664221946	5.986614982250314	0.6717526819716317	Different Family
[P52333, Q05397]	CN1CCN(CC1)Cc2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.830241684861805	5.5230235342404725	1.307218150621332	Different Family
[P52333, Q05397]	CN1CCN(CC1)Cc2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.174833627743451	5.543181685830995	1.6316519419124553	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cc(cnc2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.471829178912833	0.47178574729302536	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P52333	Q05397	6.45717457304082	6.853871964321762	0.3966973912809415	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	5.000043431619807	7.401100112936117	2.4010566813163097	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	Q05397	5.628230441486821	5.053926188014803	0.5743042534720173	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)F)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.0301649069242025	5.5230235342404725	0.5071413726837299	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	7.157390760389438	6.282537542262508	0.8748532181269297	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)CCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.183261700737609	7.379551615288292	1.1962899145506825	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)N(C)Cc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.363552225082471	7.203911571319331	0.8403593462368599	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCC5CCCN5S(=O)(=O)C	P52333	Q05397	6.794958120738631	6.059359021879851	0.7355990988587795	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)N(C)S(=O)(=O)C	P52333	Q05397	5.489626596821958	5.187153463032929	0.3024731337890296	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	P52333	Q05397	5.5230235342404725	5.000043431619807	0.5229801026206653	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	6.239155490948614	6.747171231959408	0.5080157410107935	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.648648261007199	7.9434762759209	1.2948280149137013	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5OC	P52333	Q05397	6.81095909209099	6.257604837926246	0.553354254164744	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	Q05397	7.011485634166334	6.700144185295732	0.31134144887060167	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5	P52333	Q05397	5.376962738419986	5.187153463032929	0.1898092753870575	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.288234937518569	7.5230235342404725	1.2347885967219039	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	P52333	Q05397	5.5157443043029755	5.000043431619807	0.5157008726831682	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	6.2662812525174925	6.000434511774017	0.26584674074347525	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	P52333	Q05397	6.3439976793170425	5.8923898495566345	0.45160782976040803	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	Q05397	6.795880017344075	6.420445039599001	0.3754349777450736	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	7.1028129234198465	5.8641171288628975	1.238695794556949	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)O	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	P52333	Q05397	6.098623423024602	5.956850008261399	0.14177341476320304	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	P52333	Q05397	6.489709743359797	5.591270033463902	0.8984397098958956	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.8704389976909175	7.6613443344213	0.7909053367303827	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	6.375986197387621	5.965816893408313	0.4101693039793082	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C(F)(F)F	P52333	Q05397	7.1555228242543185	5.903820215285202	1.2517026089691168	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)CS(=O)(=O)C	P52333	Q05397	8.823908740944319	5.764850463526756	3.059058277417563	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	P52333	Q05397	7.924453038607469	6.000434511774017	1.9240185268334518	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.510749965344271	6.387004343967653	1.1237456213766182	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)N(C)C	P52333	Q05397	7.47755576649368	6.103859748557981	1.373696017935699	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	Q05397	6.896469936571625	5.5230235342404725	1.3734464023311528	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	P52333	Q05397	6.761803300620986	5.503802630662718	1.2580006699582684	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	P52333	Q05397	7.048662481204082	5.587371479455625	1.4612910017484575	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	Q05397	6.997833938243493	5.5230235342404725	1.47481040400302	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	P52333	Q05397	5.187153463032929	5.000043431619807	0.18711003141312155	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	P52333	Q05397	7.8326826652518236	6.536107011014093	1.2965756542377305	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)NS(=O)(=O)C	P52333	Q05397	7.1700533040583645	5.641284886197869	1.5287684178604959	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.0034883278458215	6.375511637486551	0.6279766903592705	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)NS(=O)(=O)C	P52333	Q05397	6.303206914918256	6.257510535418225	0.045696379500030915	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	Q05397	6.860435733824151	6.2335871528876	0.6268485809365503	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2ccc(cn2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.463365814996181	6.1743791749965	0.7110133600003188	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)N(c3cccc(c3)N4CCN(CC4)C)c5nc6c(cc(cn6n5)F)c7ccc(cc7)S(=O)(=O)C	P52333	Q05397	5.669911054251519	5.9775716288145135	0.3076605745629948	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.261195666921029	5.615517553432615	0.6456781134884144	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	P52333	Q05397	5.187153463032929	5.000043431619807	0.18711003141312155	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	5.589216020353139	6.52355967350181	0.9343436531486713	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.278032836247902	7.834755673874689	1.5567228376267872	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	Q05397	6.733533104559759	6.697972273978225	0.03556083058153359	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5	P52333	Q05397	5.5230235342404725	5.187153463032929	0.33587007120754375	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.189256847634621	7.148252580866736	0.9589957332321157	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	P52333	Q05397	5.083598696396124	5.5230235342404725	0.4394248378443484	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	Q05397	5.497553760553582	5.5230235342404725	0.02546977368689074	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	Q05397	6.213248577854439	6.215810794619039	0.0025622167646002225	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	5.984598326297051	5.699187205881883	0.2854111204151675	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	P52333	Q05397	5.775368539535694	5.7980132911049305	0.022644751569236732	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	P52333	Q05397	5.754748974705894	5.5230235342404725	0.23172544046542143	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C(=O)N	P52333	Q05397	5.627121122448567	5.778411036167515	0.15128991371894873	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Oc5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	Q05397	5.548545166686619	5.915359386907873	0.3668142202212543	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)C(F)(F)F	P52333	Q05397	6.671635713091884	6.000434511774017	0.6712012013178672	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	Q05397	6.284125280310729	6.000434511774017	0.2836907685367116	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	P52333	Q05397	7.585026652029182	5.869634062734793	1.7153925892943889	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)P(=O)(C)C	P52333	Q05397	6.630211612805287	5.000043431619807	1.6301681811854793	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.9480126653068055	5.976212720210153	0.9717999450966524	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	Q05397	6.607197562916336	5.5230235342404725	1.0841740286758634	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	P52333	Q05397	6.684659523372712	5.9013216704235605	0.7833378529491517	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	Q05397	6.65816994307949	5.5230235342404725	1.1351464088390175	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	Q05397	6.815507311471577	5.5230235342404725	1.2924837772311042	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	P52333	Q05397	7.422508200162775	6.298950369270861	1.1235578308919143	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	6.913996294381618	5.896846497451318	1.0171497969302994	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	5.000043431619807	6.0682371115188225	1.0681936798990153	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2nc3c(cccn3n2)NCc4cccc(c4)[N+](=O)[O-]	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P52333	Q05397	5.823908740944319	5.080921907623926	0.7429868333203924	Different Family
[P52333, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.399789693590672	5.5230235342404725	0.8767661593501996	Different Family
[P52333, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	Q05397	6.95951633579373	7.750557038557417	0.791040702763687	Different Family
[P52333, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.513753763426944	7.317584138322641	0.8038303748956972	Different Family
[P52333, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.110362199593332	6.08823533632914	1.0221268632641927	Different Family
[P52333, Q05397]	CN1c2ccc(cc2CC1=O)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	Q05397	6.542632903465209	6.97571962395292	0.4330867204877116	Different Family
[P52333, Q05397]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	Q05397	6.875104695011507	5.699187205881883	1.175917489129624	Different Family
[P52333, Q05397]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	COc1c(cc(cn1)C(F)(F)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	6.240830936157747	5.000043431619807	1.2407875045379395	Different Family
[P52333, Q05397]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	5.628656863804593	5.000043431619807	0.6286134321847854	Different Family
[P52333, Q05397]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	P52333	Q05397	5.870938807630032	5.000043431619807	0.8708953760102247	Different Family
[P52333, Q05397]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	Q05397	7.359121221298381	5.710535913922573	1.648585307375808	Different Family
[P52333, Q05397]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	Q05397	7.277695213125672	5.99425767142793	1.283437541697742	Different Family
[P52333, Q05397]	COc1cc(ccc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)F	P52333	Q05397	6.695121882301721	5.699187205881883	0.9959346764198376	Different Family
[P52333, Q05397]	COc1ccc(c(c1)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	7.236122968504345	5.5230235342404725	1.7130994342638726	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)NC4CCN(CC4)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccc(cc4)S(=O)(=O)C	P52333	Q05397	5.187153463032929	5.000043431619807	0.18711003141312155	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccccc4S(=O)(=O)C	P52333	Q05397	6.951946826884391	5.5230235342404725	1.4289232926439182	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4c[nH]nc4	P52333	Q05397	6.292174431667768	5.627493036637101	0.6646813950306676	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.292354699445009	5.801123072756447	1.4912316266885624	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4cnn(c4)S(=O)(=O)C	P52333	Q05397	7.249491605148654	6.294649537114288	0.9548420680343659	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	Q05397	7.5968794788241825	5.699187205881883	1.8976922729422991	Different Family
[P52333, Q05397]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.1944991418416	5.585060060581982	1.6094390812596187	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCSC)C(F)(F)F	P52333	Q05397	6.386655100765256	6.868285121534932	0.48163002076967576	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	Q05397	6.454185884038717	6.261980916547481	0.19220496749123583	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)(F)F	P52333	Q05397	6.130539455632461	5.5230235342404725	0.6075159213919887	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)C(F)(F)F	P52333	Q05397	6.09373501134159	5.469510868609329	0.6242241427322606	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5)C(F)(F)F	P52333	Q05397	5.982265674105777	5.187153463032929	0.7951122110728486	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	Q05397	6.875691447384348	6.2424825072201955	0.6332089401641525	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNC5)C(F)(F)F	P52333	Q05397	6.1707090953442645	6.1087581192365175	0.061950976107747024	Different Family
[P52333, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5)C(F)(F)F	P52333	Q05397	6.151244513575922	6.31766535618736	0.16642084261143797	Different Family
[P52333, Q05397]	COc1ccc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	6.285754088982106	5.830501905315032	0.4552521836670742	Different Family
[P52333, Q05397]	COc1cccc(c1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.133353207041176	5.868060704789576	1.2652925022516	Different Family
[P52333, Q05397]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	6.66023065623127	6.000434511774017	0.6597961444572524	Different Family
[P52333, Q05397]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CNC5	P52333	Q05397	6.796912693527553	6.000434511774017	0.7964781817535354	Different Family
[P52333, Q05397]	COc1cccc(c1F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	6.736956016686834	5.5230235342404725	1.2139324824463618	Different Family
[P52333, Q05397]	COc1cccc(c1OC)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	6.733603650811407	5.719735855641944	1.013867795169463	Different Family
[P52333, Q05397]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	7.054039296422431	5.187153463032929	1.8668858333895022	Different Family
[P52333, Q05397]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	Q05397	6.723423318301445	5.000043431619807	1.7233798866816379	Different Family
[P52333, Q05397]	COc1cnc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	Q05397	6.4070686038705515	5.607774520870352	0.7992940830001993	Different Family
[P52333, Q05397]	CS(=O)(=O)CCN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	Q05397	7.56336036830734	6.236324978121166	1.3270353901861736	Different Family
[P52333, Q05397]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5Cl)C(F)(F)F	P52333	Q05397	6.4442648652508785	6.000434511774017	0.4438303534768613	Different Family
[P52333, Q05397]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	Q05397	6.651773044294752	5.699187205881883	0.9525858384128689	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)C(=C)n2c(nc(n2)NC(=O)Nc3ccc(cc3)N4CCNCC4)C=C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)Oc2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	P52333	Q05397	5.000043431619807	5.912470574468285	0.912427142848478	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2ccc3nc(nn3c2)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	Q05397	7.434152181326482	6.761953896871205	0.672198284455277	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	Q05397	7.583692412940118	5.977567504480043	1.6061249084600746	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	7.752026733638194	6.36251027048749	1.389516463150704	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	7.1487416512809245	6.6441655041150645	0.5045761471658601	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.1555228242543185	6.274496731140684	0.8810260931136344	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCOCC5	P52333	Q05397	7.281830594608693	5.833179285639734	1.4486513089689588	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCS(=O)(=O)CC5	P52333	Q05397	7.375511637486551	6.000434511774017	1.3750771257125338	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)S(=O)(=O)C	P52333	Q05397	6.143331516388465	5.5230235342404725	0.6203079821479927	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	Q05397	7.1700533040583645	5.931517286238246	1.2385360178201186	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	Q05397	7.518987579043427	5.83032850434411	1.6886590746993164	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCC(CC5)N6CCOCC6	P52333	Q05397	7.22548303427145	6.600845666041783	0.6246373682296671	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	7.708684280255182	6.336110701377339	1.3725735788778426	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	7.394694953858891	6.686554629573586	0.7081403242853046	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5	P52333	Q05397	7.414539270491499	6.232918378636677	1.1816208918548217	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)S(=O)(=O)C	P52333	Q05397	7.034413502995109	6.274807344361136	0.7596061586339733	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCC(CC5)N6CCOCC6	P52333	Q05397	7.3663295939485565	6.173322788623212	1.1930068053253446	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5)CC(=O)N	P52333	Q05397	7.694648630553377	6.415374821581482	1.2792738089718947	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5O)CC(=O)N	P52333	Q05397	7.878440155812499	6.000434511774017	1.878005644038482	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5	P52333	Q05397	7.421017157297209	5.998902622558637	1.4221145347385722	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5O	P52333	Q05397	7.225191169689294	5.712115448607495	1.5130757210817993	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)CN5CCOCC5	P52333	Q05397	7.8297382846050425	6.020770406977845	1.8089678776271976	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)CN5CCS(=O)(=O)CC5	P52333	Q05397	7.410163794115407	5.699187205881883	1.7109765882335237	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCC(CC5)N6CCOCC6	P52333	Q05397	7.272120898447931	5.928817844009919	1.343303054438012	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CC(=O)N	P52333	Q05397	7.543633966870957	5.187153463032929	2.3564805038380285	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCCF	P52333	Q05397	6.783649330860804	5.613119522320779	1.1705298085400253	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCO	P52333	Q05397	6.773735288104306	6.000434511774017	0.7733007763302888	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCNCC5	P52333	Q05397	7.279344643448276	5.947995167054879	1.331349476393397	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCOCC5	P52333	Q05397	7.508638306165727	5.694175893947307	1.81446241221842	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)S(=O)(=O)C	P52333	Q05397	6.220008561448618	6.159041216444197	0.06096734500442125	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)C5CCNCC5	P52333	Q05397	7.224972399901155	5.5230235342404725	1.7019488656606825	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	P52333	Q05397	6.322721629560502	5.000043431619807	1.3226781979406947	Different Family
[P52333, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	Q05397	6.976336081802207	6.466990977504515	0.509345104297692	Different Family
[P52333, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	7.279014255846261	5.815024809301739	1.463989446544522	Different Family
[P52333, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	6.952725132615821	6.280917426098514	0.6718077065173063	Different Family
[P52333, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCOCC5	P52333	Q05397	6.73754891026957	5.8700202453302905	0.8675286649392797	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	6.7126910484300275	7.00533097817447	0.29263992974444264	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	6.620984713306517	5.886785537449024	0.7341991758574933	Different Family
[P52333, Q05397]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccccc4S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.187153463032929	0.18711003141312155	Different Family
[P52333, Q05397]	Cc1c(c(n(n1)C)C)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	Cc1ccc(c(c1)OCC(C)C)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	Q05397	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[P52333, Q05397]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCN(CC6)C(=O)OC(C)(C)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCNCC6	P52333	Q05397	7.083230315716864	5.617021726307695	1.4662085894091685	Different Family
[P52333, Q05397]	Cc1cccn2c1nc(n2)Nc3ccc(cc3)S(=O)(=O)C	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	Cn1c2cccc(c2cn1)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	P52333	Q05397	6.6441655041150645	5.985840823584235	0.6583246805308294	Different Family
[P52333, Q05397]	c1cc(c(=O)[nH]c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	P52333	Q05397	6.362400209796413	5.000043431619807	1.362356778176606	Different Family
[P52333, Q05397]	c1cc(c2c(c1)OC(O2)(F)F)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	P52333	Q05397	6.182196726034433	5.187153463032929	0.995043263001504	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C(F)(F)F)O	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)C#N	P52333	Q05397	6.603103550857476	5.5230235342404725	1.0800800166170035	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)F	P52333	Q05397	6.598444381737107	5.871400433297686	0.7270439484394204	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5cnn(c5)c6ccc(cc6)F	P52333	Q05397	6.921579435086	6.000434511774017	0.9211449233119824	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)N4CCOCC4)c5ccncc5	P52333	Q05397	6.758702612890007	5.187153463032929	1.571549149857078	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5F)C(F)(F)F	P52333	Q05397	6.862645888629268	5.187153463032929	1.6754924255963388	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	Q05397	5.541978909225063	6.000434511774017	0.45845560254895457	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)F	P52333	Q05397	5.000043431619807	5.96795772652292	0.967914294903113	Different Family
[P52333, Q05397]	c1cc(c2nc(nn2c1)Nc3cnn(c3)CCN4CCCC4)c5ccc(cc5)C(F)(F)F	P52333	Q05397	6.712466988949278	5.000043431619807	1.7124235573294708	Different Family
[P52333, Q05397]	c1cc(cc(c1)[N+](=O)[O-])CNc2cccn3c2nc(n3)N4CCOCC4	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)N4CCC(CC4)N	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)NCCN4CCOCC4	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	5.553896411806073	5.000043431619807	0.5538529801862655	Different Family
[P52333, Q05397]	c1cc(cnc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	Q05397	5.912502527595736	5.5230235342404725	0.38947899335526337	Different Family
[P52333, Q05397]	c1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC(F)F	P52333	Q05397	6.079782725930734	5.720022956344008	0.3597597695867263	Different Family
[P52333, Q05397]	c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P52333, Q05397]	c1ccc2c(c1)CCCN2c3cccc4n3nc(n4)N5CCCc6c5cccc6	P52333	Q05397	5.000043431619807	5.000043431619807	0.0	Different Family
[P35968, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P52333	P35968	7.056754637413759	7.657577319177793	0.6008226817640345	Different Family
[P35968, P52333]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P52333	P35968	5.769551078621726	6.039338878208089	0.26978779958636334	Different Family
[P35968, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	P35968	5.585026652029182	7.926935982160881	2.341909330131699	Different Family
[P35968, P52333]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P52333	P35968	5.823908740944319	5.4089353929735005	0.4149733479708182	Different Family
[P35968, P52333]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P52333	P35968	4.6020599913279625	5.107905397309519	0.5058454059815567	Different Family
[P35968, P52333]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)O	P52333	P35968	5.040958607678906	5.552841968657781	0.5118833609788744	Different Family
[P35968, P52333]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P52333	P35968	4.6020599913279625	6.0	1.3979400086720375	Different Family
[P35968, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P52333	P35968	7.107237765384183	6.71681189828049	0.3904258671036933	Different Family
[P35968, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P52333	P35968	6.320481256304211	6.0	0.32048125630421076	Different Family
[P35968, P52333]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	P52333	P35968	6.378615971518347	6.185086818724926	0.19352915279342042	Different Family
[P35968, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P52333	P35968	5.101274818410507	5.375717904164332	0.27444308575382514	Different Family
[P35968, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P52333	P35968	7.2403321553103694	8.638272163982407	1.3979400086720375	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	P35968	7.698970004336019	8.698970004336019	1.0	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	P35968	6.254144804826271	7.823908740944319	1.569763936118048	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	P52333	P35968	6.714442690992226	6.443697499232713	0.27074519175951295	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P52333	P35968	6.5968794788241825	5.849243560139691	0.7476359186844919	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	P52333	P35968	6.005682847330363	6.336299074610352	0.33061622727998863	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	P52333	P35968	6.141462802430361	7.327902142064283	1.186439339633922	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P52333	P35968	6.061480274823508	7.769551078621726	1.7080708037982175	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P52333	P35968	7.795880017344075	8.522878745280337	0.7269987279362624	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	P52333	P35968	6.97469413473523	7.6777807052660805	0.7030865705308509	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P52333	P35968	7.795880017344075	9.0	1.204119982655925	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	P52333	P35968	6.876148359032914	8.096910013008056	1.220761653975142	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	P52333	P35968	5.873219422987991	7.318758762624412	1.4455393396364213	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	P52333	P35968	5.942714355581785	7.2839966563652006	1.3412823007834156	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	P52333	P35968	6.812479279163537	8.301029995663981	1.488550716500444	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P35968	6.480172006224281	8.221848749616356	1.741676743392075	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P35968	5.659754238432068	8.154901959985743	2.495147721553675	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P52333	P35968	7.142667503568732	9.0	1.857332496431268	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P35968	6.20342566678957	7.823908740944319	1.6204830741547482	Different Family
[P35968, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	P52333	P35968	7.337242168318426	8.397940008672037	1.0606978403536118	Different Family
[P35968, P52333]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P52333	P35968	5.920818753952375	6.853871964321762	0.9330532103693869	Different Family
[P35968, P52333]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	P52333	P35968	5.0079327399723335	5.303993284781455	0.29606054480912114	Different Family
[P35968, P52333]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P52333	P35968	5.089375595110798	5.928117992693875	0.8387423975830766	Different Family
[P35968, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	P35968	5.142667503568732	6.356547323513812	1.2138798199450802	Different Family
[P35968, P52333]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P52333	P35968	5.513144644723057	6.718966632752273	1.205821988029216	Different Family
[P48730, P52333]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	P48730	5.518557371497695	4.610833915635467	0.9077234558622278	Different Group
[P48730, P52333]	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5)OCC	P52333	P48730	4.42712839779952	4.3535962737769305	0.07353212402258968	Different Group
[P48730, P52333]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P52333	P48730	4.522878745280337	5.346787486224656	0.8239087409443187	Different Group
[P48730, P52333]	CSc1nccc(n1)c2c(nc([nH]2)c3ccc(cc3)O)c4ccc(cc4)F	P52333	P48730	4.106238237942057	5.2247537402597635	1.118515502317707	Different Group
[P48730, P52333]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P52333	P48730	5.275724130399211	6.958607314841775	1.6828831844425638	Different Group
[P48730, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P52333	P48730	5.4089353929735005	4.605548319173784	0.8033870737997164	Different Group
[P48730, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P52333	P48730	4.841637507904751	4.705533773838407	0.13610373406634402	Different Group
[P48730, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P52333	P48730	6.106238237942057	4.91721462968355	1.1890236082585064	Different Group
[P48730, P52333]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P52333	P48730	4.928117992693875	4.920818753952375	0.007299238741500069	Different Group
[P48730, P52333]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	P52333	P48730	4.669586226650809	4.673664139071248	0.004077912420439311	Different Group
[P48730, P52333]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	P48730	4.97469413473523	4.747146969020107	0.2275471657151229	Different Group
[P23458, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cc(c(c(c3)F)N4CCOCC4)F)Cl	P52333	P23458	7.698970004336019	6.305394801066432	1.3935752032695872	Same Family
[P23458, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P52333	P23458	8.886056647693163	7.61261017366127	1.2734464740318927	Same Family
[P23458, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	P52333	P23458	8.638272163982407	6.129011186239425	2.509260977742982	Same Family
[P23458, P52333]	CC(=O)C1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.4698003017969175	8.1505805862031	1.6807802844061825	Same Family
[P23458, P52333]	CC(=O)NC1CCc2c1cc(cc2)Oc3cnc4c(n3)c(c[nH]4)C(=O)NC(C(=O)N5CC(C5)C#N)C(C)(C)C	P52333	P23458	7.2441251443275085	6.06398920428479	1.1801359400427183	Same Family
[P23458, P52333]	CC(=O)NC1CCc2c1cc(cc2)Oc3cnc4c(n3)c(c[nH]4)C(=O)NC(C5CC5)C(=O)N6CC(C6)C#N	P52333	P23458	8.301029995663981	6.581698708680254	1.719331286983727	Same Family
[P23458, P52333]	CC(=O)NCC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.721246399047171	8.779891911959945	2.058645512912774	Same Family
[P23458, P52333]	CC(=O)Nc1cc2c(c(cnn2c1)C(=O)N)NC3CCC(C3(C)C)(C)O	P52333	P23458	9.045757490560675	8.086186147616283	0.9595713429443915	Same Family
[P23458, P52333]	CC(=O)Nc1ccccc1c2cc3c(c(cnn3c2)C(=O)N)NC4CCC(C4(C)C)(C)N	P52333	P23458	7.432973633840939	7.522878745280337	0.08990511143939806	Same Family
[P23458, P52333]	CC(C(=O)N(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	6.981299501333757	6.196133365715015	0.7851661356187414	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	8.086186147616283	7.327902142064283	0.7582840055520004	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)C(CC5)NC(=O)C	P52333	P23458	6.950781977329818	4.935542010773082	2.015239966556736	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5c(cc(cc5F)Cl)n(n4)C	P52333	P23458	8.744727494896694	7.1938200260161125	1.550907468880581	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5c(cc(cn5cn4)F)F	P52333	P23458	9.0	7.136677139879544	1.863322860120456	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5cc(ccc5n(n4)C)Cl	P52333	P23458	8.522878745280337	7.214670164989233	1.3082085802911045	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C#N	P52333	P23458	8.638272163982407	7.292429823902063	1.3458423400803436	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C(C)(C)C	P52333	P23458	8.0	7.920818753952375	0.07918124604762511	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C6CC6	P52333	P23458	8.508638306165727	8.0	0.5086383061657269	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P52333	P23458	8.958607314841775	7.508638306165727	1.4499690086760477	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F	P52333	P23458	9.221848749616356	7.769551078621726	1.4522976709946303	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)OC	P52333	P23458	8.744727494896694	7.42021640338319	1.3245110915135037	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cn5cn4)F	P52333	P23458	9.522878745280337	7.795880017344075	1.7269987279362624	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccccc5n(n4)C	P52333	P23458	8.537602002101044	7.657577319177793	0.880024682923251	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC	P52333	P23458	9.397940008672037	8.130768280269024	1.2671717284030137	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4cn(c5c4ccc(c5)Cl)C	P52333	P23458	9.096910013008056	9.0	0.09691001300805624	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4cnc5n4ccc(c5)Cl	P52333	P23458	8.468521082957745	7.214670164989233	1.2538509179685118	Same Family
[P23458, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)n4c5ccc(cc5cn4)Cl	P52333	P23458	7.978810700930062	6.431798275933005	1.5470124249970567	Same Family
[P23458, P52333]	CC(C(=O)N1CCC(C(C1)(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)OC)O	P52333	P23458	8.481486060122112	8.096910013008056	0.3845760471140558	Same Family
[P23458, P52333]	CC(C(=O)N1CCC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	8.060480747381382	7.349692476868063	0.7107882705133184	Same Family
[P23458, P52333]	CC(C(=O)N1CCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	6.8297382846050425	6.06013145554049	0.7696068290645526	Same Family
[P23458, P52333]	CC(C(=O)N1CCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	7.314258261397736	6.366026844210326	0.9482314171874098	Same Family
[P23458, P52333]	CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	7.161780778092374	6.442492798094342	0.7192879799980316	Same Family
[P23458, P52333]	CC(C(C)(C)C#N)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	8.744727494896694	6.96617430604669	1.7785531888500037	Same Family
[P23458, P52333]	CC(C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	8.853871964321762	7.351639989019068	1.5022319753026938	Same Family
[P23458, P52333]	CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	7.7453987388344485	6.79593948650845	0.9494592523259984	Same Family
[P23458, P52333]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P23458	6.928117992693875	7.443697499232713	0.5155795065388382	Same Family
[P23458, P52333]	CC(C)(C)C(=O)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	8.410050398674292	10.643974142806877	2.2339237441325857	Same Family
[P23458, P52333]	CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	9.55395269865476	8.494850021680094	1.0591026769746659	Same Family
[P23458, P52333]	CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P52333	P23458	9.096910013008056	8.259637310505756	0.8372727025023003	Same Family
[P23458, P52333]	CC(C)(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	P23458	8.698970004336019	7.823908740944319	0.8750612633917001	Same Family
[P23458, P52333]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P23458	4.987162775294828	5.054531414868181	0.0673686395733526	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P23458	6.512861624522814	7.522878745280337	1.0100171207575235	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	P52333	P23458	6.1904402853647325	6.686132779630847	0.4956924942661143	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN(C)C	P52333	P23458	5.47755576649368	6.149966742310231	0.6724109758165513	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	P52333	P23458	5.623423042943488	6.184422251675732	0.5609992087322446	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCOCC4	P52333	P23458	6.016373712875465	6.752026733638194	0.7356530207627285	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	P52333	P23458	6.36251027048749	7.107905397309519	0.7453951268220296	Same Family
[P23458, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCOC	P52333	P23458	5.892790030352131	6.889410289700751	0.99662025934862	Same Family
[P23458, P52333]	CC(C)(C)OC(=O)N(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.311580177997289	8.160521952625801	1.8489417746285124	Same Family
[P23458, P52333]	CC(C)(C)OC(=O)NC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.638272163982407	8.84163750790475	2.203365343922343	Same Family
[P23458, P52333]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P23458	6.72584215073632	7.4089353929735005	0.68309324223718	Same Family
[P23458, P52333]	CC(C)(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	P23458	6.401209493236885	7.8696662315049934	1.4684567382681086	Same Family
[P23458, P52333]	CC(C)C(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	8.10790539730952	7.348721986001856	0.7591834113076628	Same Family
[P23458, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)C(C)(C)O	P52333	P23458	8.481486060122112	7.795880017344075	0.685606042778037	Same Family
[P23458, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)C4CCOCC4	P52333	P23458	8.337242168318426	7.619788758288394	0.717453410030032	Same Family
[P23458, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCOCC4	P52333	P23458	8.55284196865778	7.795880017344075	0.7569619513137056	Same Family
[P23458, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCS(=O)(=O)CC4	P52333	P23458	8.397940008672037	7.173925197299173	1.2240148113728644	Same Family
[P23458, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	P23458	7.844335023848103	7.312625826994948	0.5317091968531553	Same Family
[P23458, P52333]	CC(C)COC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	9.87942606879415	11.876148359032914	1.9967222902387647	Same Family
[P23458, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	P23458	8.154901959985743	7.455931955649724	0.6989700043360187	Same Family
[P23458, P52333]	CC(C)Cn1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	P23458	7.0	6.638272163982407	0.36172783601759306	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	7.351639989019068	6.649170726417032	0.7024692626020359	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cc(cc(c3)OC)OC	P52333	P23458	6.3979400086720375	5.0851281824599495	1.312811826212088	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc(cc3)C#N	P52333	P23458	6.376750709602099	5.459670525209126	0.9170801843929732	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)C(CC4)NC(=O)C	P52333	P23458	6.661196523639753	5.279097465152148	1.3820990584876052	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)CCC4	P52333	P23458	6.431798275933005	5.478861916295964	0.9529363596370413	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cccc(c3)C#N	P52333	P23458	6.013228265733755	5.496209316942819	0.5170189487909358	Same Family
[P23458, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccccc3	P52333	P23458	6.6777807052660805	6.075720713938118	0.6020599913279625	Same Family
[P23458, P52333]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	5.721246399047171	5.508638306165727	0.21260809288144422	Same Family
[P23458, P52333]	CC(C)c1ccccc1c2cc3c(c(cnn3c2)C(=O)N)NC4CCCC4(C)F	P52333	P23458	6.867740310468956	6.5968794788241825	0.27086083164477337	Same Family
[P23458, P52333]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	8.065501548756432	7.619788758288394	0.445712790468038	Same Family
[P23458, P52333]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)C(CC5)NC(=O)C	P52333	P23458	7.755724641749778	5.8733809275541855	1.882343714195592	Same Family
[P23458, P52333]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	P52333	P23458	7.522878745280337	6.657577319177793	0.865301426102544	Same Family
[P23458, P52333]	CC(C1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	7.360513510731414	5.9576214018601235	1.4028921088712902	Same Family
[P23458, P52333]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	P52333	P23458	5.070581074285707	5.698970004336019	0.6283889300503116	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C)Nc4cn(cn4)C	P52333	P23458	5.121478204498794	7.619788758288394	2.4983105537896	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C4CC4)Nc5cn(cn5)C	P52333	P23458	5.609064892896621	7.5376020021010435	1.9285371092044228	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3cnn(c3n2)C)Nc4cn(cn4)C	P52333	P23458	5.841637507904751	7.795880017344075	1.9542425094393243	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cccn3)c(n2)Nc4cn(cn4)C	P52333	P23458	5.422508200162775	6.882728704344236	1.4602205041814607	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cn[nH]3)c(n2)Nc4cn(cn4)C	P52333	P23458	5.335358024443875	7.657577319177793	2.3222192947339186	Same Family
[P23458, P52333]	CC(c1ncc(cn1)F)Nc2nc3cnccc3c(n2)Nc4cn(cn4)C	P52333	P23458	5.739928612014925	7.552841968657781	1.8129133566428557	Same Family
[P23458, P52333]	CC1(C(CC(C1O)O)Nc2c3cc(cn3ncc2C(=O)N)c4ccnn4C)C	P52333	P23458	8.2518119729938	7.962573502059376	0.2892384709344231	Same Family
[P23458, P52333]	CC1(C(CCC1(C)C(=O)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)C#N)C	P52333	P23458	9.0	8.236572006437063	0.7634279935629369	Same Family
[P23458, P52333]	CC1(C(CCC1(C)C(=O)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)F)C	P52333	P23458	8.721246399047171	8.657577319177793	0.06366907986937775	Same Family
[P23458, P52333]	CC1(C(CCC1(C)C(=O)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)OC)C	P52333	P23458	9.522878745280337	8.920818753952375	0.6020599913279625	Same Family
[P23458, P52333]	CC1(C(CCC1(C)C(=O)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C	P52333	P23458	9.397940008672037	8.853871964321762	0.5440680443502757	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)N4CCC4=O)C	P52333	P23458	8.05551732784983	7.120904120499927	0.934613207349904	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)N4CCCC4=O)C	P52333	P23458	8.769551078621726	7.694648630553377	1.0749024480683493	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)N4CCOCC4=O)C	P52333	P23458	7.354577730650908	7.158640529545145	0.19593720110576296	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4cc(cnc4)C(=O)O)C	P52333	P23458	7.823908740944319	7.453457336521869	0.3704514044224494	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4cc(cnc4)OC)C	P52333	P23458	8.259637310505756	8.387216143280265	0.12757883277450865	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)C#N)C	P52333	P23458	8.0268721464003	7.896196279044043	0.13067586735625802	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)C(=O)N(C)C)C	P52333	P23458	9.096910013008056	9.221848749616356	0.1249387366082999	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)C(=O)NC5CC5)C	P52333	P23458	8.795880017344075	9.154901959985743	0.3590219426416681	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)CO)C	P52333	P23458	9.522878745280337	9.154901959985743	0.3679767852945943	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)N5CCCC5)C	P52333	P23458	8.022276394711152	7.761953896871205	0.26032249783994743	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4cccc5c4cccn5)C	P52333	P23458	7.860120913598763	8.267606240177031	0.40748532657826786	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4C(=O)N)C	P52333	P23458	8.221848749616356	8.568636235841012	0.34678748622465605	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4cccnc4)C	P52333	P23458	9.301029995663981	9.154901959985743	0.14612803567823818	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cc(cn3ncc2C(=O)N)c4cnc(nc4)OC)C	P52333	P23458	8.075720713938118	7.600326278518962	0.4753944354191564	Same Family
[P23458, P52333]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	P52333	P23458	7.8979400086720375	7.434994025164048	0.4629459835079892	Same Family
[P23458, P52333]	CC1(C(CCC1(C)NS(=O)(=O)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)OC)C	P52333	P23458	8.769551078621726	8.366531544420413	0.403019534201313	Same Family
[P23458, P52333]	CC1(C(CCC1(C)NS(=O)(=O)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C	P52333	P23458	9.0	8.585026652029182	0.4149733479708182	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)NS(=O)(=O)C)C	P52333	P23458	8.221848749616356	7.339134521996131	0.8827142276202249	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)NS(=O)(=O)c4ccc(cc4)Cl)C	P52333	P23458	7.6307841425898575	6.587539452570039	1.0432446900198187	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)NS(=O)(=O)c4ccc(cc4)OC)C	P52333	P23458	7.465973893943865	6.6441655041150645	0.8218083898288002	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)NS(=O)(=O)c4ccccc4)C	P52333	P23458	7.655607726314889	6.621602099051862	1.034005627263027	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C	P52333	P23458	9.698970004336019	10.0	0.30102999566398125	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cc(cn3ncc2C(=O)N)c4ccnn4C)C	P52333	P23458	7.598599459218456	7.333482019445119	0.2651174397733369	Same Family
[P23458, P52333]	CC1(C(CCC1(C)O)Nc2c3cccn3ncc2C(=O)N)C	P52333	P23458	8.037860356969059	7.3794759246641775	0.6583844323048815	Same Family
[P23458, P52333]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	P52333	P23458	7.770303756120384	7.427868613119005	0.34243514300137967	Same Family
[P23458, P52333]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	P52333	P23458	8.008864383480216	7.442694507883914	0.5661698755963016	Same Family
[P23458, P52333]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	P52333	P23458	7.673393743112328	7.06246936830415	0.6109243748081781	Same Family
[P23458, P52333]	CC1(CCC(CC1)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)[N+]#[C-])O	P52333	P23458	8.795880017344075	8.214670164989233	0.5812098523548421	Same Family
[P23458, P52333]	CC1(CCC(CC1)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4C(=O)N)O	P52333	P23458	7.473660722610156	7.140261433802853	0.3333992888073034	Same Family
[P23458, P52333]	CC1(CCC(CC1)Nc2c3cc(cn3ncc2C(=O)N)c4ccnn4C)O	P52333	P23458	7.202732459169283	6.966978555317089	0.23575390385219386	Same Family
[P23458, P52333]	CC1(CCC(CC1)Nc2c3cc(cn3ncc2C(=O)N)c4cncnc4)O	P52333	P23458	7.767003889607846	6.978397283971757	0.7886066056360885	Same Family
[P23458, P52333]	CC1(CCC(CC1)Nc2c3cc(cn3ncc2C(=O)N)c4cncnc4N)O	P52333	P23458	7.958607314841775	7.428291168191312	0.5303161466504624	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCCC4=O)F	P52333	P23458	9.301029995663981	8.42021640338319	0.8808135922807914	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCOC4=O)F	P52333	P23458	8.167491087293763	7.866461091629782	0.30102999566398125	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCOCC4=O)F	P52333	P23458	8.148741651280925	7.872895201635193	0.2758464496457327	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)c4cccc(c4)C(=O)N)F	P52333	P23458	9.301029995663981	8.853871964321762	0.44715803134221943	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C	P52333	P23458	9.301029995663981	8.537602002101044	0.7634279935629369	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)C#N	P52333	P23458	9.698970004336019	9.0	0.6989700043360187	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cc(cn3ncc2C(=O)N)c4cncc5c4cccc5)F	P52333	P23458	7.333482019445119	7.008330992620052	0.32515102682506747	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	P52333	P23458	7.5869625986495866	7.519289452966776	0.0676731456828108	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)CO	P52333	P23458	7.236830361305078	6.83889035263304	0.3979400086720375	Same Family
[P23458, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	P52333	P23458	7.268950809432422	6.763621775341393	0.5053290340910284	Same Family
[P23458, P52333]	CC1(CCCCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)O	P52333	P23458	8.292429823902063	7.7594507517174005	0.5329790721846628	Same Family
[P23458, P52333]	CC1(CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C	P52333	P23458	7.161150909262744	7.045757490560675	0.11539341870206954	Same Family
[P23458, P52333]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	P23458	6.2564902352715706	8.051587034221399	1.795096798949828	Same Family
[P23458, P52333]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	P23458	6.3655227298392685	8.119186407719209	1.7536636778799402	Same Family
[P23458, P52333]	CC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	P23458	6.614393726401688	8.111259039317108	1.4968653129154204	Same Family
[P23458, P52333]	CC1(CN(CC1(C)CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	P23458	6.236572006437063	7.841637507904751	1.6050655014676876	Same Family
[P23458, P52333]	CC1(CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)N4CC(CC4=O)c5ccccc5)c6ccc(cn6)C#N)C	P52333	P23458	7.943095148663527	7.6777807052660805	0.2653144433974468	Same Family
[P23458, P52333]	CC1(CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCC(C4=O)CCCC(=O)O)c5ncc(cn5)C#N)C	P52333	P23458	8.853871964321762	8.619788758288394	0.23408320603336819	Same Family
[P23458, P52333]	CC1(CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCC(C4=O)O)c5ccc(cn5)C#N)C	P52333	P23458	9.698970004336019	9.154901959985743	0.5440680443502757	Same Family
[P23458, P52333]	CC1(CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)OC)C(=O)C(=O)N)C	P52333	P23458	9.045757490560675	8.356547323513812	0.6892101670468627	Same Family
[P23458, P52333]	CC1(COCC1Nc2c3cc(cn3ncc2C(=O)N)N4CCCC4=O)F	P52333	P23458	7.82102305270683	7.394694953858891	0.42632809884793943	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)C(C)(C)O)Nc3c4cc(cn4ncc3C(=O)N)c5ccc(nc5)C(=O)NC	P52333	P23458	9.154901959985743	9.397940008672037	0.24303804868629442	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)C(C)(C)O)Nc3c4cc(cn4ncc3C(=O)N)c5cnc(nc5)N	P52333	P23458	9.0	8.443697499232712	0.5563025007672877	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)C(C)(C)O)Nc3c4cc(cn4ncc3C(=O)N)c5cnn(c5)C	P52333	P23458	8.823908740944319	8.853871964321762	0.02996322337744317	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)CF)Nc3c4cc(cn4ncc3C(=O)N)c5cc(c(nc5)N)F	P52333	P23458	8.823908740944319	8.920818753952375	0.09691001300805624	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)CO)Nc3c4cc(cn4ncc3C(=O)N)c5ccc(cc5)C(=O)N	P52333	P23458	9.397940008672037	9.522878745280337	0.1249387366082999	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)C(=O)CO)Nc3c4cc(cn4ncc3C(=O)N)c5ccc(cc5)C(=O)NC6CC6	P52333	P23458	9.397940008672037	9.522878745280337	0.1249387366082999	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)S(=O)(=O)C)Nc3c4cc(cn4ncc3C(=O)N)N5CCN(C5=O)C(=O)C	P52333	P23458	8.744727494896694	9.096910013008056	0.3521825181113627	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)S(=O)(=O)C)Nc3c4cc(cn4ncc3C(=O)N)c5cnc(nc5)N	P52333	P23458	9.221848749616356	9.698970004336019	0.4771212547196626	Same Family
[P23458, P52333]	CC1C(CC2C1CN(C2)S(=O)(=O)C)Nc3c4cc(cn4ncc3C(=O)N)c5nnn(n5)C	P52333	P23458	9.397940008672037	8.886056647693163	0.5118833609788744	Same Family
[P23458, P52333]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCC(CC4)CO	P52333	P23458	7.367542707815276	8.130181792020672	0.7626390842053956	Same Family
[P23458, P52333]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCCC(C4)O	P52333	P23458	7.6001574545454496	8.523458578043957	0.9233011234985078	Same Family
[P23458, P52333]	CC1CC(CN(C1)S(=O)(=O)CC(C)C)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	P23458	8.301029995663981	7.376750709602099	0.924279286061882	Same Family
[P23458, P52333]	CC1CCC(CC1)N(C)c2c3cc[nH]c3ncn2	P52333	P23458	6.431798275933005	6.142667503568732	0.2891307723642731	Same Family
[P23458, P52333]	CC1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	7.376750709602099	7.619788758288394	0.24303804868629442	Same Family
[P23458, P52333]	CC1CCCC(C1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	7.6777807052660805	6.366531544420414	1.3112491608456667	Same Family
[P23458, P52333]	CC1CCCCC1Nc2c3cc[nH]c3ncc2C(=O)N	P52333	P23458	8.292429823902063	7.327902142064283	0.9645276818377804	Same Family
[P23458, P52333]	CC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	8.045757490560675	7.703356966489771	0.3424005240709036	Same Family
[P23458, P52333]	CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.070070439915412	7.966576244513051	1.8965058045976386	Same Family
[P23458, P52333]	CC1CCCN(C1)c2c3c(c[nH]c3ncn2)c4cccc(c4)C#N	P52333	P23458	7.267606240177032	5.790484985457369	1.4771212547196626	Same Family
[P23458, P52333]	CC1CCCN1S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.34008379993015	8.1890957193313	1.8490119194011507	Same Family
[P23458, P52333]	CC1CCN(C1)C(=O)C(C)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	P23458	7.09366495819491	6.565431095965801	0.5282338622291087	Same Family
[P23458, P52333]	CC1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.1073489661227	7.785156151952302	1.677807185829602	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)C(C)C#N	P52333	P23458	7.886056647693163	6.309803919971486	1.576252727721677	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)C4CCC(=O)C4	P52333	P23458	7.5376020021010435	5.809668301829708	1.7279337002713353	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC(F)(F)F	P52333	P23458	7.721246399047171	5.8297382846050425	1.8915081144421286	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC4CC4	P52333	P23458	7.698970004336019	5.718966632752273	1.980003371583746	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CO	P52333	P23458	7.494850021680094	6.075720713938118	1.4191293077419758	Same Family
[P23458, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)S(=O)(=O)CC(F)(F)F	P52333	P23458	7.853871964321762	5.555955204081924	2.297916760239838	Same Family
[P23458, P52333]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C(=O)CC#N	P52333	P23458	8.958607314841775	8.823908740944319	0.134698573897456	Same Family
[P23458, P52333]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3n(c2=O)C)C(=O)CC#N	P52333	P23458	8.301029995663981	7.5376020021010435	0.7634279935629378	Same Family
[P23458, P52333]	CC1CN(CC1CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	9.703334809738468	11.701146923590294	1.9978121138518254	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)C(=O)NC)C(=O)OC	P52333	P23458	8.1249387366083	8.327902142064282	0.20296340545598213	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)F)C(=O)CC#N	P52333	P23458	8.853871964321762	8.823908740944319	0.02996322337744317	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccnc(c4)F)C(=O)CC#N	P52333	P23458	8.853871964321762	9.301029995663981	0.44715803134221943	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(=O)N5CC(C5)(F)F)c6ccc(cn6)C#N	P52333	P23458	9.397940008672037	9.698970004336019	0.30102999566398125	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(=O)N5CCC(C5)(F)F)c6ccc(cn6)C#N	P52333	P23458	9.221848749616356	9.522878745280337	0.30102999566398125	Same Family
[P23458, P52333]	CC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(=O)NC)c5ccc(cn5)Cl	P52333	P23458	9.301029995663981	9.397940008672037	0.09691001300805624	Same Family
[P23458, P52333]	CC1CN(CC1S(=O)(=O)C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.560667306169737	7.982966660701219	1.4222993545314822	Same Family
[P23458, P52333]	CC1CN(CCC1Nc2c3cc[nH]c3ncc2C(=O)N)c4ccc(cn4)C#N	P52333	P23458	9.10790539730952	7.958607314841775	1.1492980824677446	Same Family
[P23458, P52333]	CC1CN(CCN1C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	5.716698771296451	7.943095148663527	2.2263963773670765	Same Family
[P23458, P52333]	CC1c2cccc(c2)OCc3cccc(c3)Nc4ncc(c(n4)N1)Cl	P52333	P23458	6.853871964321762	6.460923901207224	0.3929480631145381	Same Family
[P23458, P52333]	CCC(=O)N1CC2CC(C(C2C1)C)Nc3c4cc(cn4ncc3C(=O)N)c5ccc(nc5)F	P52333	P23458	8.853871964321762	8.508638306165727	0.3452336581560349	Same Family
[P23458, P52333]	CCC(C(C)C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	P23458	7.036212172654444	6.585026652029182	0.4511855206252626	Same Family
[P23458, P52333]	CCC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	P23458	8.017728766960431	7.120330794367947	0.8973979725924845	Same Family
[P23458, P52333]	CCC(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	P23458	7.2839966563652006	7.045757490560675	0.23823916580452575	Same Family
[P23458, P52333]	CCC(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	P23458	6.171984935776023	7.642065152999546	1.470080217223523	Same Family
[P23458, P52333]	CCC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)NC(=O)OCc5ccccc5	P52333	P23458	6.0726296369609765	7.350665141287858	1.2780355043268816	Same Family
[P23458, P52333]	CCC1(CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	P23458	6.305394801066432	7.761953896871205	1.4565590958047734	Same Family
[P23458, P52333]	CCC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)C(=O)N	P52333	P23458	6.452225294612178	8.096367483915762	1.644142189303584	Same Family
[P23458, P52333]	CCC1CCCCC1NS(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	5.826813731587726	7.841637507904751	2.0148237763170247	Same Family
[P23458, P52333]	CCC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	8.522878745280337	7.7447274948966935	0.7781512503836439	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cc(no4)C)C(=O)OC(C)(C)C	P52333	P23458	9.301029995663981	9.154901959985743	0.14612803567823818	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(=O)n(c4)C)c5ccc(cn5)C#N	P52333	P23458	9.397940008672037	9.096910013008056	0.30102999566398125	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)C(=O)NCC)C(=O)C(C)(C)C#N	P52333	P23458	8.065501548756432	8.366531544420413	0.30102999566398125	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)C)C(=O)C5(CC5)C#N	P52333	P23458	8.853871964321762	9.0	0.14612803567823818	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccnc(c4)Cl)C(=O)C5(CCC5)C#N	P52333	P23458	9.522878745280337	8.920818753952375	0.6020599913279625	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cn(nc4C)C)C(=O)C5(CC5)C#N	P52333	P23458	8.823908740944319	8.958607314841775	0.134698573897456	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)C)c5ccc(cn5)C#N	P52333	P23458	8.823908740944319	8.721246399047171	0.10266234189714751	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)C)c5ncc(s5)C#N	P52333	P23458	9.522878745280337	9.096910013008056	0.42596873227228116	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(C)C)S(=O)(=O)C	P52333	P23458	9.301029995663981	9.301029995663981	0.0	Same Family
[P23458, P52333]	CCC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(C)C)c5ncc(s5)C#N	P52333	P23458	9.698970004336019	9.096910013008056	0.6020599913279625	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccnc(c4)C)C(=O)C(C)(C)O	P52333	P23458	8.148741651280925	8.443697499232712	0.29495584795178686	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4ccnc(c4)OC)C(=O)C(C)O	P52333	P23458	8.154901959985743	8.346787486224656	0.19188552623891297	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)C)C(=O)C(C)O	P52333	P23458	8.10790539730952	8.045757490560675	0.062147906748844406	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)C)C(=O)C(CC)O	P52333	P23458	8.2518119729938	8.119186407719209	0.13262556527459068	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)C)C(=O)CC(F)(F)F	P52333	P23458	8.173925197299173	8.1249387366083	0.0489864606908732	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CC(C)C)C(=O)C(C)O	P52333	P23458	8.853871964321762	8.698970004336019	0.15490195998574308	Same Family
[P23458, P52333]	CCC1CN(CCC1Nc2c3cc(cn3ncc2C(=O)N)c4cnn(c4)CCC#N)S(=O)(=O)C	P52333	P23458	8.823908740944319	9.0	0.17609125905568135	Same Family
[P23458, P52333]	CCCOc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	6.886056647693163	7.2076083105017466	0.3215516628085835	Same Family
[P23458, P52333]	CCCS(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.127843727251707	8.217527375833713	2.089683648582006	Same Family
[P23458, P52333]	CCCS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	P23458	8.0	7.585026652029182	0.4149733479708182	Same Family
[P23458, P52333]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	P52333	P23458	5.22548303427145	7.5376020021010435	2.3121189678295933	Same Family
[P23458, P52333]	CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	5.906578314837765	7.645891560852599	1.7393132460148335	Same Family
[P23458, P52333]	CCN(CC)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.2335871528876	8.313363730737706	2.0797765778501054	Same Family
[P23458, P52333]	CCN1CCN(C(=O)C1=O)CC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.1220530483708115	7.749579997691106	1.6275269493202948	Same Family
[P23458, P52333]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P23458	6.014573525916998	6.876148359032914	0.8615748331159159	Same Family
[P23458, P52333]	CCNC(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	5.924453038607469	7.954677021213342	2.0302239826058734	Same Family
[P23458, P52333]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	P23458	5.518557371497695	4.096367483915762	1.4221898875819328	Same Family
[P23458, P52333]	CCOC(=O)N1CCCC(C1)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4	P52333	P23458	6.545765104251735	6.044167989767578	0.5015971144841567	Same Family
[P23458, P52333]	CCOC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	7.498940737782249	8.920818753952375	1.421878016170126	Same Family
[P23458, P52333]	CCOCCOC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.603800652904264	8.199970640755867	1.596169987851603	Same Family
[P23458, P52333]	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5)OCC	P52333	P23458	4.42712839779952	4.621602099051862	0.19447370125234187	Same Family
[P23458, P52333]	CCOP(=O)(OCC)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	8.744727494896694	10.628932137728263	1.8842046428315697	Same Family
[P23458, P52333]	CCOc1ncc(cn1)c2cc3c(c(cnn3c2)C(=O)N)NC4CN(CC4CF)C(=O)C5(CC5)C#N	P52333	P23458	7.928117992693875	8.744727494896694	0.8166095022028186	Same Family
[P23458, P52333]	CCS(=O)(=O)Nc1cc2c(c(cnn2c1)C(=O)N)NC3CCC(C3(C)C)(C)O	P52333	P23458	8.09151498112135	7.0762380391713	1.0152769419500496	Same Family
[P23458, P52333]	CCc1c(sc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P52333	P23458	6.337242168318426	6.6020599913279625	0.2648178230095368	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)C(=O)c6cc(ccn6)C#N)F)O	P52333	P23458	8.721246399047171	7.723538195826756	0.997708203220415	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)C(=O)c6ccc(cc6)F)F)O	P52333	P23458	8.886056647693163	8.346787486224656	0.539269161468507	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)C(=O)c6ccc(cn6)Cl)F)O	P52333	P23458	8.853871964321762	8.537602002101044	0.31626996222071746	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)C(=O)c6ccc(nc6)C#N)F)O	P52333	P23458	8.853871964321762	8.468521082957745	0.3853508813640172	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)C(=O)c6ccsn6)F)O	P52333	P23458	9.0	8.602059991327963	0.3979400086720375	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CCN(CC5)Cc6ccccc6)F)O	P52333	P23458	8.853871964321762	9.096910013008056	0.24303804868629442	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)C(=O)c6ccc(nc6)C#N)F)O	P52333	P23458	8.721246399047171	9.154901959985743	0.43365556093857194	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)C(=O)c6cnc(cn6)N7CCCCC7)F)O	P52333	P23458	9.301029995663981	8.267606240177031	1.0334237554869503	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6cc7ccccc7nc6)F)O	P52333	P23458	8.920818753952375	8.769551078621726	0.151267675330649	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6ccc(cc6)O)F)O	P52333	P23458	8.657577319177793	8.366531544420413	0.29104577475738047	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6ccc(nc6)Oc7ccccc7)F)O	P52333	P23458	8.619788758288394	8.207608310501746	0.412180447786648	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6ccc7c(c6)cccn7)F)O	P52333	P23458	8.853871964321762	8.3767507096021	0.4771212547196626	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6cccc(c6)O)F)O	P52333	P23458	8.2518119729938	8.585026652029182	0.3332146790353825	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6cccc(c6)OC)F)O	P52333	P23458	8.585026652029182	8.522878745280337	0.062147906748844406	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6cccnc6C#N)F)O	P52333	P23458	8.387216143280265	8.397940008672037	0.010723865391772947	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)Cc6ccnc(c6)C#N)F)O	P52333	P23458	8.853871964321762	8.229147988357855	0.6247239759639065	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)S(=O)(=O)c6ccc(cc6)F)F)O	P52333	P23458	8.795880017344075	8.920818753952375	0.1249387366082999	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)S(=O)(=O)c6ccc(nc6)N7CCOCC7)F)O	P52333	P23458	8.886056647693163	8.075720713938118	0.8103359337550451	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)CN(CC5)S(=O)(=O)c6ccc(nc6)Oc7ccccc7)F)O	P52333	P23458	8.823908740944319	8.602059991327963	0.22184874961635614	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)cc(cn5)C(=O)c6ccc(cc6OCC(C)NN)Oc7ccccc7F)F)O	P52333	P23458	8.443697499232712	8.823908740944319	0.38021124171160636	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)cc(cn5)Cc6ccc(nc6)N7CC=CC=C7)F)O	P52333	P23458	8.853871964321762	8.397940008672037	0.45593195564972433	Same Family
[P23458, P52333]	CCc1cc(c(cc1c2ccc3c(c2)[nH]nc3c4[nH]c5c(n4)cc(cn5)Cc6ccc7c(n6)NCC=C7)F)O	P52333	P23458	7.962573502059376	7.863279432843593	0.09929406921578288	Same Family
[P23458, P52333]	CCc1ccc(nc1)COCC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.168770306132936	7.756961951313706	1.5881916451807694	Same Family
[P23458, P52333]	CCc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	P23458	6.327902142064283	5.380906669373258	0.9469954726910252	Same Family
[P23458, P52333]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P52333	P23458	6.6777807052660805	6.481486060122113	0.19629464514396755	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC(=O)NCCOC)C(=O)N(C4CC4)C5CC5	P52333	P23458	6.301029995663981	6.657577319177793	0.35654732351381213	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC)C(=O)N(C4CC4)C5CC5	P52333	P23458	6.721246399047171	7.187086643357144	0.4658402443099732	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	P52333	P23458	5.853871964321762	5.721246399047171	0.13262556527459068	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.060480747381382	7.795880017344075	0.7353992699626932	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	6.443697499232713	7.1249387366083	0.6812412373755867	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	5.301029995663981	6.267606240177032	0.9665762445130506	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)N5CCS(=O)(=O)CC5)C)C(=O)N(C6CC6)C7CC7	P52333	P23458	7.508638306165727	7.318758762624412	0.18987954354131453	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)NC)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.721246399047171	7.721246399047171	0.0	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C(=O)NC)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.309803919971486	7.657577319177793	0.34777339920630723	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	6.795880017344075	6.568636235841013	0.2272437815030619	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)S(=O)(=O)C)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.2839966563652006	7.3979400086720375	0.11394335230683694	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(cs4)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.638272163982407	7.337242168318426	0.30102999566398125	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	5.42021640338319	5.221848749616356	0.19836765376683374	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4ncc(s4)C)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.113509274827518	7.214670164989233	0.10116089016171514	Same Family
[P23458, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nccs4)C(=O)N(C5CC5)C6CC6	P52333	P23458	7.2076083105017466	7.3979400086720375	0.19033169817029094	Same Family
[P23458, P52333]	CCn1cc(cn1)c2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C(=O)N4CC(C4)C#N	P52333	P23458	8.2839966563652	7.638272163982407	0.6457244923827936	Same Family
[P23458, P52333]	CN(C)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.1911141326401875	7.995678626217358	1.8045644935771703	Same Family
[P23458, P52333]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P23458	5.779891911959945	5.508638306165727	0.2712536057942181	Same Family
[P23458, P52333]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P52333	P23458	5.769551078621726	5.886056647693163	0.11650556907143717	Same Family
[P23458, P52333]	CN(C)C1CCN(C1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(c(c5)Cl)Cl	P52333	P23458	7.229147988357856	7.3872161432802645	0.15806815492240833	Same Family
[P23458, P52333]	CN(C)C1CCN(C1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)OC	P52333	P23458	6.647817481888637	6.801342913045577	0.15352543115693962	Same Family
[P23458, P52333]	CN(C)S(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.343901797987168	8.113509274827518	1.76960747684035	Same Family
[P23458, P52333]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P23458	6.070581074285707	7.096910013008056	1.026328938722349	Same Family
[P23458, P52333]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P23458	5.698970004336019	7.4089353929735005	1.7099653886374817	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	P52333	P23458	5.182434630440219	8.301029995663981	3.1185953652237624	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	P52333	P23458	5.278189384787454	8.035290537142853	2.757101152355399	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	P52333	P23458	5.72584215073632	8.221848749616356	2.4960065988800357	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	P52333	P23458	5.496209316942819	8.397940008672037	2.9017306917292185	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	P52333	P23458	5.053547734986927	8.301029995663981	3.247482260677054	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	P52333	P23458	5.092051478387727	8.221848749616356	3.129797271228629	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	P52333	P23458	5.259637310505756	8.397940008672037	3.1383026981662816	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	P52333	P23458	5.505845405981558	9.0	3.4941545940184424	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)CO	P52333	P23458	6.688246138944246	8.518557371497694	1.8303112325534485	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)F	P52333	P23458	6.560667306169737	7.860120913598763	1.299453607429026	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)C#N	P52333	P23458	6.910094888560602	8.271646217978772	1.3615513294181696	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)O	P52333	P23458	6.92727126804831	8.413138876247768	1.4858676081994577	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)c5ccccc5	P52333	P23458	6.82102305270683	8.282329496997738	1.4613064442909076	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)F	P52333	P23458	6.844663962534939	7.903089986991944	1.0584260244570052	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)NC(=O)OC	P52333	P23458	6.4179366370882915	7.958607314841775	1.540670677753483	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)O	P52333	P23458	6.518557371497695	7.97061622231479	1.452058850817095	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)CC5CC5	P52333	P23458	6.525783735923745	7.97061622231479	1.4448324863910456	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)c5ccccc5	P52333	P23458	7.200659450546419	8.515700160653214	1.3150407101067954	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5[nH]nnn5	P52333	P23458	6.954677021213342	8.809668301829708	1.8549912806163658	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5cccnc5	P52333	P23458	6.460923901207224	7.6439741428068775	1.1830502415996538	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5ncccn5	P52333	P23458	6.531652669587842	7.785156151952302	1.2535034823644597	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C(C4)O)O	P52333	P23458	6.781747086125322	8.154460404962512	1.3727133188371896	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CCO)CO	P52333	P23458	6.213248577854439	7.903089986991944	1.6898414091375047	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(COc5cccc(c5)F)O	P52333	P23458	6.87942606879415	8.505845405981557	1.6264193371874063	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CSc5ccccn5)O	P52333	P23458	7.0675262353228465	8.866461091629782	1.7989348563069356	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(Cn5cccn5)O	P52333	P23458	7.08460016478773	8.744727494896694	1.6601273301089634	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccc5)O	P52333	P23458	7.115771230367396	8.71669877129645	1.600927540929054	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccn5)O	P52333	P23458	6.531652669587842	7.97469413473523	1.4430414651473873	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CC#N	P52333	P23458	6.399732061906485	8.18974458814284	1.7900125262363558	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CO	P52333	P23458	6.824875990832918	8.527443042879593	1.7025670520466747	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COC	P52333	P23458	6.860120913598763	8.772113295386326	1.911992381787563	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COCc5cccnc5	P52333	P23458	6.335358024443875	7.714442690992226	1.3790846665483514	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5ccccc5	P52333	P23458	6.142064735280571	7.7447274948966935	1.6026627596161225	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5cnccn5	P52333	P23458	6.54821356447571	7.701146923590294	1.1529333591145834	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)F	P52333	P23458	6.5798747915471445	7.907824662976521	1.327949871429377	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)NC(=O)C(F)(F)F	P52333	P23458	6.399027104313252	7.718966632752273	1.3199395284390212	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)O	P52333	P23458	6.631383794279598	8.054867755960258	1.4234839616806596	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OC	P52333	P23458	6.329754146925876	7.924453038607469	1.5946988916815927	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OCC(=O)N5CCCC5	P52333	P23458	6.413412695328245	8.359518563029578	1.9461058677013332	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Oc5ccccc5C#N	P52333	P23458	6.384049948343599	8.171984935776024	1.7879349874324246	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)C	P52333	P23458	6.903089986991944	8.525783735923746	1.6226937489318018	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)CCc5ccccc5	P52333	P23458	6.876148359032914	8.319664486585436	1.4435161275525221	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5	P52333	P23458	6.835647144215563	8.13430394008393	1.298656795868367	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5OC	P52333	P23458	7.015022873584507	8.351639989019068	1.336617115434561	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5	P52333	P23458	6.382999658879101	8.161780778092375	1.7787811192132734	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5F	P52333	P23458	6.543633966870957	8.259637310505756	1.7160033436347986	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccn5	P52333	P23458	7.440093374963888	8.595166283380062	1.155072908416174	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ncccn5	P52333	P23458	7.254144804826271	8.485452247339714	1.231307442513443	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(CCOC)C(=O)N	P52333	P23458	7.402304814074488	8.79860287567955	1.3962980616050613	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(c5ccccc5)O	P52333	P23458	7.42712839779952	8.298432014944073	0.8713036171445525	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)C#N	P52333	P23458	6.3655227298392685	7.782516055786094	1.4169933259468257	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CC(=O)N	P52333	P23458	6.166852888087215	7.696803942579511	1.5299510544922965	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CO	P52333	P23458	6.343901797987168	7.958607314841775	1.614705516854607	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COC	P52333	P23458	6.36251027048749	7.892790030352131	1.5302797598646416	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COCC5CC5	P52333	P23458	6.769551078621726	8.39040559077478	1.6208545121530538	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CS(=O)(=O)CC5CC5	P52333	P23458	6.308918507877031	7.931814138253839	1.6228956303768074	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)Cc5ncccn5	P52333	P23458	6.777283528852417	8.223298816011589	1.446015287159172	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)N	P52333	P23458	5.6439741428068775	7.373659632624958	1.7296854898180802	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)O	P52333	P23458	6.465973893943865	8.037157318798757	1.5711834248548922	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)OC	P52333	P23458	6.1979107421182675	7.655607726314889	1.4576969841966214	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)c5nc(no5)CS(=O)(=O)C	P52333	P23458	6.235823867609669	8.079354998593212	1.8435311309835427	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC4	P52333	P23458	6.539102157243452	7.844663962534939	1.3055618052914868	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)(COc5cccc(c5)F)O	P52333	P23458	6.308034897232639	7.8297382846050425	1.521703387372403	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C#N	P52333	P23458	6.4928258505674075	8.098907425857726	1.606081575290319	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)N	P52333	P23458	6.653647025549361	8.190440285364732	1.5367932598153704	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)O	P52333	P23458	7.129011186239425	8.671620396561263	1.5426092103218378	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(F)(F)F	P52333	P23458	6.218963061378868	8.139661993429007	1.920698932050139	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CN5CCCC5	P52333	P23458	5.484126156288321	7.8297382846050425	2.3456121283167217	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CO	P52333	P23458	6.632644078973981	8.619788758288394	1.9871446793144125	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)COc5ccc(cc5)F	P52333	P23458	5.0	8.228412519118745	3.228412519118745	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)C	P52333	P23458	6.24184537803261	7.686132779630847	1.4442874015982365	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)N	P52333	P23458	6.892790030352131	8.508638306165727	1.6158482758135957	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)Cc5ccccn5	P52333	P23458	6.22767829327708	7.94692155651658	1.7192432632395	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)F	P52333	P23458	6.6307841425898575	8.275724130399212	1.6449399878093542	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)O	P52333	P23458	6.835961982543364	8.534430088159425	1.6984681056160609	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OC	P52333	P23458	6.692503962086787	8.769551078621726	2.0770471165349385	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCC(=O)N	P52333	P23458	6.761953896871205	8.528708288941061	1.7667543920698563	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCCOC	P52333	P23458	10.434152181326482	11.903089986991944	1.4689378056654618	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OP(=O)(O)O	P52333	P23458	9.114638779968487	10.580044251510243	1.4654054715417555	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4CN5CCCC5	P52333	P23458	6.089909454405932	8.325138859262188	2.2352294048562555	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4COC	P52333	P23458	6.431798275933005	8.019996628416253	1.5881983524832481	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC5(C4)CC(=O)NC5	P52333	P23458	6.0	7.841637507904751	1.8416375079047507	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)Cc5ccccn5	P52333	P23458	6.490797477668897	7.863279432843593	1.3724819551746963	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C#N	P52333	P23458	6.567030709125595	7.91721462968355	1.3501839205579556	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C(=O)NC6CC6	P52333	P23458	6.22548303427145	7.982966660701219	1.757483626429769	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5ccccn5	P52333	P23458	6.681936665037238	8.074172425375258	1.3922357603380195	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCS(=O)(=O)CC4	P52333	P23458	6.231361898752386	7.712198270069774	1.4808363713173884	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCSC4	P52333	P23458	6.913640169325252	8.05551732784983	1.1418771585245793	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCCC3	P52333	P23458	6.4089353929735005	6.173925197299173	0.23501019567432735	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCCCC3	P52333	P23458	6.795880017344075	5.769551078621726	1.026328938722349	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCCCCC3	P52333	P23458	6.958607314841775	5.920818753952375	1.0377885608893997	Same Family
[P23458, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCCCCCC3	P52333	P23458	7.236572006437063	5.649751981665837	1.5868200247712263	Same Family
[P23458, P52333]	CN(c1ccnc2c1cc[nH]2)C3CCCCC3	P52333	P23458	5.958607314841775	5.5376020021010435	0.42100531274073116	Same Family
[P23458, P52333]	CN(c1cnc2c(n1)cc[nH]2)C(=O)NC3CCCN(C3)S(=O)(=O)C	P52333	P23458	6.476253533188435	5.652669984683049	0.8235835485053862	Same Family
[P23458, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Br	P52333	P23458	4.716698771296451	6.752026733638194	2.035327962341743	Same Family
[P23458, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)C(=O)N	P52333	P23458	5.346787486224656	6.010105436281227	0.6633179500565713	Same Family
[P23458, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)S(=O)(=O)C)Cl	P52333	P23458	4.559090917934783	6.448550002027125	1.8894590840923424	Same Family
[P23458, P52333]	CN1CCC(CC1)Nc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Cl	P52333	P23458	4.772113295386326	6.251037138743839	1.4789238433575127	Same Family
[P23458, P52333]	CN1CCC(CC1)Nc2c3cc[nH]c3ncc2C(=O)N	P52333	P23458	7.045757490560675	6.522878745280337	0.5228787452803374	Same Family
[P23458, P52333]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	P23458	7.212914890134604	7.366531544420414	0.15361665428580995	Same Family
[P23458, P52333]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(cc5)Cl	P52333	P23458	7.455931955649724	8.244125144327509	0.7881931886777842	Same Family
[P23458, P52333]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5cccc(c5)OC	P52333	P23458	7.180456064458132	7.346787486224656	0.16633142176652438	Same Family
[P23458, P52333]	CN1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	8.88941028970075	10.610833915635467	1.721423625934717	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P52333	P23458	6.45717457304082	6.950781977329818	0.49360740428899774	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P52333	P23458	8.318758762624412	6.047691990337875	2.271066772286537	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	P23458	7.510749965344271	7.657577319177793	0.14682735383352252	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	P23458	5.585026652029182	5.481486060122113	0.10354059190706888	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccc(c(c5)Cl)CN6CCOCC6	P52333	P23458	6.616184634019569	6.364516253185088	0.25166838083448084	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)Cl	P52333	P23458	6.705533773838407	6.709965388637482	0.0044316147990750565	Same Family
[P23458, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccccc5	P52333	P23458	6.578396073130169	6.85078088734462	0.27238481421445115	Same Family
[P23458, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	P23458	6.9480126653068055	7.0915149811213505	0.14350231581454498	Same Family
[P23458, P52333]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P52333	P23458	5.823908740944319	5.136677139879544	0.6872316010647745	Same Family
[P23458, P52333]	CNC(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	6.423658649794207	7.657577319177793	1.233918669383586	Same Family
[P23458, P52333]	CNC(=O)c1cccc(c1)c2cc3c(c(cnn3c2)C(=O)N)NC4CN(CC4OC)C(=O)C5(CC5)C#N	P52333	P23458	8.823908740944319	9.301029995663981	0.4771212547196626	Same Family
[P23458, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P23458	5.872895201635193	6.675717544702307	0.8028223430671142	Same Family
[P23458, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	P52333	P23458	6.437707135543525	7.154901959985743	0.7171948244422177	Same Family
[P23458, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	P52333	P23458	6.115204636051019	6.537602002101044	0.4223973660500251	Same Family
[P23458, P52333]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	P52333	P23458	5.721246399047171	6.823908740944319	1.1026623418971475	Same Family
[P23458, P52333]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	P52333	P23458	5.823908740944319	7.045757490560675	1.2218487496163561	Same Family
[P23458, P52333]	CNS(=O)(=O)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	P23458	7.042871802323187	8.555955204081924	1.5130834017587365	Same Family
[P23458, P52333]	CNc1c(cnc(n1)Nc2cnn(c2)C(CC(=O)N)C3CCCCC3)C(F)(F)F	P52333	P23458	7.4089353929735005	6.173925197299173	1.2350101956743273	Same Family
[P23458, P52333]	COC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)C#N)C(=O)C5(CC5)C#N	P52333	P23458	8.18045606445813	8.823908740944319	0.6434526764861879	Same Family
[P23458, P52333]	COC1CN(CC1Nc2c3cc(cn3ncc2C(=O)N)c4ccc(cc4)F)C(=O)C5(CC5)C#N	P52333	P23458	8.823908740944319	8.958607314841775	0.134698573897456	Same Family
[P23458, P52333]	COc1cc(c(cc1F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P52333	P23458	5.126679398184601	6.955347774076065	1.8286683758914641	Same Family
[P23458, P52333]	COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	P23458	5.080921907623926	7.533256356075647	2.4523344484517207	Same Family
[P23458, P52333]	COc1ccc(c(c1)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	P23458	5.161150909262744	7.221607608846487	2.0604566995837423	Same Family
[P23458, P52333]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P52333	P23458	5.211831628858833	7.214495163845347	2.0026635349865147	Same Family
[P23458, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCCNC4	P52333	P23458	5.2403321553103694	6.860120913598763	1.6197887582883936	Same Family
[P23458, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	P23458	5.94692155651658	7.653576540361385	1.706654983844805	Same Family
[P23458, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)OCC4CCNCC4	P52333	P23458	5.555955204081924	6.752026733638194	1.1960715295562698	Same Family
[P23458, P52333]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P52333	P23458	6.277366077466188	7.154901959985743	0.8775358825195552	Same Family
[P23458, P52333]	COc1ccc(cc1F)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	6.507239610973162	7.173925197299173	0.666685586326011	Same Family
[P23458, P52333]	COc1ccc(cn1)c2cc3c(c(cnn3c2)C(=O)N)NC4CN(CC4OC)S(=O)(=O)C	P52333	P23458	8.050609993355087	8.096910013008056	0.04630001965296948	Same Family
[P23458, P52333]	COc1cccc(c1)c2cc3c(c(cnn3c2)C(=O)N)NC4C5CC6CC4CC(C6)(C5)O	P52333	P23458	8.050609993355087	7.112945621949043	0.9376643714060435	Same Family
[P23458, P52333]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	7.180456064458132	7.5376020021010435	0.3571459376429118	Same Family
[P23458, P52333]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	6.714442690992226	7.309803919971486	0.59536122897926	Same Family
[P23458, P52333]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	P52333	P23458	7.229147988357856	7.113509274827518	0.1156387135303385	Same Family
[P23458, P52333]	COc1ncc(cn1)c2cc3c(c(cnn3c2)C(=O)N)NC4CN(CC4CF)C(=O)C5(CC5)C#N	P52333	P23458	8.050609993355087	9.045757490560675	0.995147497205588	Same Family
[P23458, P52333]	CS(=O)(=O)N1CC(C(C1)Nc2c3cc(cn3ncc2C(=O)N)c4ccc(nc4)C(F)(F)F)CF	P52333	P23458	8.013228265733755	8.207608310501746	0.19438004476799087	Same Family
[P23458, P52333]	CS(=O)(=O)N1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	6.1487416512809245	6.853871964321762	0.7051303130408373	Same Family
[P23458, P52333]	CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	P23458	7.678273661756906	7.058567040139185	0.6197066216177207	Same Family
[P23458, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4	P52333	P23458	7.679853713888946	7.236572006437063	0.44328170745188267	Same Family
[P23458, P52333]	CS(=O)(=O)N1CCCC(C1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	P23458	6.768950809432422	6.638272163982407	0.13067864545001484	Same Family
[P23458, P52333]	CS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N	P52333	P23458	9.096910013008056	8.173925197299173	0.9229848157088831	Same Family
[P23458, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P52333	P23458	5.101274818410507	5.428291168191312	0.3270163497808056	Same Family
[P23458, P52333]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCN(CC4)C)OC	P52333	P23458	5.180456064458132	7.443697499232713	2.2632414347745815	Same Family
[P23458, P52333]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)OC	P52333	P23458	5.812479279163537	7.73877788324684	1.9262986040833026	Same Family
[P23458, P52333]	Cc1cc(on1)CCC2(CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4)O	P52333	P23458	6.543633966870957	7.978810700930062	1.4351767340591044	Same Family
[P23458, P52333]	Cc1cc(sn1)NC(=O)N2CCC(C(C2)N(C)c3c4cc[nH]c4ncn3)C	P52333	P23458	7.585026652029182	5.950781977329818	1.6342446746993637	Same Family
[P23458, P52333]	Cc1ccc(cc1)c2cc3c(c(cnn3c2)C(=O)N)NC4C5CC6CC4CC(C6)(C5)O	P52333	P23458	8.214670164989233	7.1979107421182675	1.0167594228709653	Same Family
[P23458, P52333]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P23458	6.2636034977233574	6.423658649794207	0.16005515207084997	Same Family
[P23458, P52333]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	5.638272163982407	5.431798275933005	0.20647388804940192	Same Family
[P23458, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P52333	P23458	7.2403321553103694	7.257274868695302	0.016942713384932695	Same Family
[P23458, P52333]	Cc1ccc(cn1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P52333	P23458	6.354577730650908	7.0	0.6454222693490923	Same Family
[P23458, P52333]	Cc1ccc(nc1)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.5934598195660445	7.777283528852417	1.1838237092863722	Same Family
[P23458, P52333]	Cc1ccc(nc1C)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	7.051098239029786	8.188424994129406	1.13732675509962	Same Family
[P23458, P52333]	Cc1ccc(nn1)CC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.123205023799299	7.6439741428068775	1.5207691190075785	Same Family
[P23458, P52333]	Cc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	P23458	6.552841968657781	5.667561540084395	0.8852804285733855	Same Family
[P23458, P52333]	Cc1cccc(c1)c2cc3c(c(cnn3c2)C(=O)N)NC4CCCC4(C)F	P52333	P23458	9.522878745280337	8.886056647693163	0.6368220975871743	Same Family
[P23458, P52333]	Cc1cccc(n1)CC2CCCN2S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.492144128304169	8.443697499232712	1.9515533709285435	Same Family
[P23458, P52333]	Cc1ccccc1Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	P23458	5.860120913598763	5.293282217663241	0.5668386959355223	Same Family
[P23458, P52333]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccc4	P52333	P23458	5.657577319177793	5.508638306165727	0.14893901301206647	Same Family
[P23458, P52333]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	P52333	P23458	7.086186147616283	6.886056647693163	0.20012949992312024	Same Family
[P23458, P52333]	Cc1ccncc1c2cc3c(c(cnn3c2)C(=O)N)NC4CCC(C4(C)C)(C)N	P52333	P23458	8.214670164989233	8.886056647693163	0.6713864827039302	Same Family
[P23458, P52333]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	P52333	P23458	6.0	7.0	1.0	Same Family
[P23458, P52333]	Cc1nnc(o1)C2CCCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	P23458	6.6777807052660805	8.010995384301463	1.3332146790353825	Same Family
[P23458, P52333]	Cn1c(ccn1)c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4	P52333	P23458	6.958607314841775	6.721246399047171	0.2373609157946035	Same Family
[P23458, P52333]	Cn1c2=c3cc[nH]c3=N4(CCCCC(C4)n5c6c7cc[nH]c7ncc6[nH]c5=O)C=c2[nH]c1=O	P52333	P23458	7.657577319177793	7.522878745280337	0.134698573897456	Same Family
[P23458, P52333]	Cn1c2cc(ccc2c(n1)c3cnc4c(n3)c(c[nH]4)C(=O)NC(C5CC5)C(=O)N6CC(C6)C#N)Cl	P52333	P23458	9.522878745280337	9.096910013008056	0.42596873227228116	Same Family
[P23458, P52333]	Cn1c2ccc(cc2cn1)c3cc4c5ccc(cc5[nH]c4c(c3)C(=O)N)N6CCN(CC6)C	P52333	P23458	6.489454989793388	6.4698003017969175	0.01965468799647052	Same Family
[P23458, P52333]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P52333	P23458	6.747146969020107	5.748605149959896	0.9985418190602111	Same Family
[P23458, P52333]	Cn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P52333	P23458	9.221848749616356	7.309803919971486	1.91204482964487	Same Family
[P23458, P52333]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	P52333	P23458	7.4089353929735005	7.040958607678906	0.3679767852945943	Same Family
[P23458, P52333]	c1c(c2c([nH]1)ncc(n2)C3CC3)C(=O)NC(C4CC4)C(=O)N5CCC(C5)C#N	P52333	P23458	9.356547323513812	9.278525065211069	0.07802225830274345	Same Family
[P23458, P52333]	c1c(cn2c1c(c(cn2)C(=O)N)NC3CCOCC3)c4cncnc4	P52333	P23458	6.828566099056991	6.089695831931431	0.7388702671255603	Same Family
[P23458, P52333]	c1c(cncc1F)c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4	P52333	P23458	7.154901959985743	6.920818753952375	0.23408320603336819	Same Family
[P23458, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	P52333	P23458	9.148741651280925	8.4089353929735	0.739806258307425	Same Family
[P23458, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)C(=O)CC#N	P52333	P23458	7.337242168318426	6.958607314841775	0.37863485347665105	Same Family
[P23458, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)c4cnc(cn4)C#N	P52333	P23458	8.443697499232712	7.455931955649724	0.987765543582988	Same Family
[P23458, P52333]	c1c[nH]c2c1c(ncn2)N3CCC4C3CCCC4	P52333	P23458	6.455931955649724	5.7544873321858505	0.7014446234638738	Same Family
[P23458, P52333]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	P52333	P23458	7.455931955649724	5.564155634015559	1.8917763216341656	Same Family
[P23458, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCC4	P52333	P23458	6.7447274948966935	6.958607314841775	0.2138798199450811	Same Family
[P23458, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCCC4	P52333	P23458	7.267606240177032	7.102372908709558	0.16523333146747365	Same Family
[P23458, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCN(C4)C(=O)CC#N	P52333	P23458	7.552841968657781	7.698970004336019	0.14612803567823818	Same Family
[P23458, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCOCC4	P52333	P23458	6.568636235841013	6.2839966563652006	0.28463957947581253	Same Family
[P23458, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3CC4CCCCC4	P52333	P23458	7.221848749616356	6.0	1.2218487496163561	Same Family
[P23458, P52333]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCCC3	P52333	P23458	6.5718652059712115	7.229147988357856	0.6572827823866447	Same Family
[P23458, P52333]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCN(C3)CC(F)(F)F	P52333	P23458	7.5376020021010435	7.522878745280337	0.014723256820706077	Same Family
[P23458, P52333]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	P52333	P23458	5.8326826652518236	7.346787486224656	1.5141048209728325	Same Family
[P23458, P52333]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3cccnc3)N)F	P52333	P23458	5.301029995663981	6.795880017344075	1.4948500216800937	Same Family
[P23458, P52333]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	P52333	P23458	5.694433686484696	5.721475035262983	0.02704134877828679	Same Family
[P23458, P52333]	c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	P52333	P23458	6.856985199745905	7.2839966563652006	0.4270114566192955	Same Family
[P23458, P52333]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	5.721246399047171	5.0915149811213505	0.6297314179258207	Same Family
[P23458, P52333]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	P52333	P23458	5.468521082957745	6.0	0.5314789170422554	Same Family
[P23458, P52333]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	P52333	P23458	6.943095148663527	6.991399828238082	0.048304679574554754	Same Family
[P23458, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	P23458	5.142667503568732	6.585026652029182	1.4423591484604499	Same Family
[P23458, P52333]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P23458	5.903089986991944	7.721246399047171	1.8181564120552274	Same Family
[P23458, P52333]	c1cc(ccc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	8.468521082957745	7.301029995663981	1.1674910872937634	Same Family
[P23458, P52333]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	5.721246399047171	5.5376020021010435	0.18364439694612766	Same Family
[P23458, P52333]	c1cc(ccc1C(=O)N2CCc3c(nc([nH]3)c4c5ccc(cc5[nH]n4)c6cc(c(cc6CC(F)(F)F)O)F)C2)F	P52333	P23458	8.173925197299173	8.113509274827518	0.06041592247165539	Same Family
[P23458, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P52333	P23458	5.4089353929735005	4.85078088734462	0.5581545056288801	Same Family
[P23458, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P52333	P23458	4.841637507904751	4.262807357295263	0.5788301506094875	Same Family
[P23458, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P52333	P23458	6.106238237942057	5.774690718274137	0.33154751966791984	Same Family
[P23458, P52333]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P52333	P23458	4.928117992693875	4.772113295386326	0.15600469730754885	Same Family
[P23458, P52333]	c1cc(ccc1c2cc3c(c(cnn3c2)C(=O)N)NC45CC6CC(C4)(CC(C6)(C5)O)O)F	P52333	P23458	8.327902142064282	8.67778070526608	0.34987856320179844	Same Family
[P23458, P52333]	c1cc(ccc1c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4)F	P52333	P23458	8.119186407719209	7.665546248849069	0.4536401588701393	Same Family
[P23458, P52333]	c1cc(ccc1c2cc3c(s2)c(cnc3N)C(=O)N)N4CCOCC4	P52333	P23458	7.7447274948966935	7.4089353929735005	0.3357921019231931	Same Family
[P23458, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	P52333	P23458	5.6777807052660805	5.031517051446065	0.6462636538200153	Same Family
[P23458, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	P52333	P23458	5.619788758288394	7.0	1.3802112417116064	Same Family
[P23458, P52333]	c1cc(cnc1)c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4	P52333	P23458	7.154901959985743	6.920818753952375	0.23408320603336819	Same Family
[P23458, P52333]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	9.14621491195103	7.977926189560639	1.1682887223903915	Same Family
[P23458, P52333]	c1cc(ncc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	8.886056647693163	7.795880017344075	1.090176630349088	Same Family
[P23458, P52333]	c1cc(ncc1C(=O)N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	8.2839966563652	7.236572006437063	1.0474246499281374	Same Family
[P23458, P52333]	c1cc(ncc1CO)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	8.036212172654444	6.7447274948966935	1.2914846777577509	Same Family
[P23458, P52333]	c1cc(nnc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	8.920818753952375	7.657577319177793	1.2632414347745815	Same Family
[P23458, P52333]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	P52333	P23458	7.2441251443275085	6.769551078621726	0.47457406570578264	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	P52333	P23458	4.906578314837765	5.275724130399211	0.36914581556144554	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	P52333	P23458	4.844663962534939	5.267606240177032	0.42294227764209325	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	P52333	P23458	5.823908740944319	5.214670164989233	0.6092385759550858	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	P52333	P23458	4.686132779630847	5.154901959985743	0.46876918035489634	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	P52333	P23458	5.6020599913279625	5.366531544420414	0.2355284469075487	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	P52333	P23458	5.958607314841775	5.657577319177793	0.30102999566398125	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	P52333	P23458	5.823908740944319	7.0	1.1760912590556813	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	P52333	P23458	5.5376020021010435	5.508638306165727	0.028963695935316558	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	P52333	P23458	4.978810700930062	4.489454989793388	0.48935571113667375	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	P52333	P23458	5.6020599913279625	5.468521082957745	0.13353890837021787	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	P52333	P23458	5.7447274948966935	7.096910013008056	1.3521825181113627	Same Family
[P23458, P52333]	c1cc2c(cc1C(=O)N3CCOCC3)c4cc(cc(c4[nH]2)C(=O)N)c5ccc(cc5Cl)Cl	P52333	P23458	6.924453038607469	7.508638306165727	0.584185267558258	Same Family
[P23458, P52333]	c1cc2c(cc1c3cc(c(cc3CC(F)(F)F)O)F)[nH]nc2c4[nH]c5c(n4)cc(cn5)C(=O)c6cnc(cn6)N7CCCCC7	P52333	P23458	7.376750709602099	8.958607314841775	1.5818566052396754	Same Family
[P23458, P52333]	c1cc2c(cc1c3cc4c(c(cnn4c3)C(=O)N)NC56CC7CC(C5)(CC(C7)(C6)O)O)ncs2	P52333	P23458	8.136677139879543	8.366531544420413	0.2298544045408697	Same Family
[P23458, P52333]	c1cc2cc(c1)NC(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P23458	7.6777807052660805	7.017728766960432	0.6600519383056485	Same Family
[P23458, P52333]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P23458	6.488116639021126	6.522878745280337	0.034762106259211834	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	P52333	P23458	7.2076083105017466	7.494850021680094	0.2872417111783472	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P52333	P23458	7.259637310505756	7.552841968657781	0.2932046581520247	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	P52333	P23458	6.501689446210399	6.522878745280337	0.021189299069938272	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P52333	P23458	7.823908740944319	7.823908740944319	0.0	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P52333	P23458	7.2441251443275085	7.0	0.24412514432750854	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P52333	P23458	8.036212172654444	7.886056647693163	0.15015552496128137	Same Family
[P23458, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P52333	P23458	8.619788758288394	8.3767507096021	0.24303804868629442	Same Family
[P23458, P52333]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P23458	8.193820026016112	7.795880017344075	0.3979400086720375	Same Family
[P23458, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P23458	7.769551078621726	7.292429823902063	0.4771212547196626	Same Family
[P23458, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	P52333	P23458	6.522878745280337	6.221848749616356	0.30102999566398125	Same Family
[P23458, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	P52333	P23458	6.7447274948966935	6.913640169325252	0.16891267442855806	Same Family
[P23458, P52333]	c1ccc(c(c1)C#N)c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4	P52333	P23458	7.3979400086720375	6.958607314841775	0.43933269383026285	Same Family
[P23458, P52333]	c1ccc(c(c1)c2cc3c(c(cnn3c2)C(=O)N)NC4CCOCC4)F	P52333	P23458	7.3979400086720375	7.096910013008056	0.30102999566398125	Same Family
[P23458, P52333]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	P52333	P23458	6.431798275933005	6.309803919971486	0.12199435596151886	Same Family
[P23458, P52333]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	P52333	P23458	7.568636235841013	7.187086643357144	0.38154959248386877	Same Family
[P23458, P52333]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	P52333	P23458	5.721246399047171	6.431798275933005	0.7105518768858339	Same Family
[P23458, P52333]	c1ccc(cc1)C2=C(C(=O)NC2=O)Nc3cccc(c3)OCCNc4ccnc(c4)F	P52333	P23458	6.239577516576788	5.662740460249724	0.5768370563270642	Same Family
[P23458, P52333]	c1ccc(cc1)CN2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	P23458	7.638272163982407	7.075720713938118	0.562551450044289	Same Family
[P23458, P52333]	c1ccc(cc1)CN2CCc3c(nc([nH]3)c4c5ccc(cc5[nH]n4)c6cc(c(cc6CC(F)(F)F)O)F)C2	P52333	P23458	6.730487055782084	7.180456064458132	0.4499690086760477	Same Family
[P23458, P52333]	c1ccc(cc1)Cc2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	6.910094888560602	6.772113295386326	0.13798159317427583	Same Family
[P23458, P52333]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	5.6777807052660805	4.739928612014925	0.9378520932511556	Same Family
[P23458, P52333]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P52333	P23458	5.542118103266008	6.391473966422806	0.8493558631567986	Same Family
[P23458, P52333]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P52333	P23458	7.769551078621726	6.113509274827518	1.6560418037942082	Same Family
[P23458, P52333]	c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P23458	5.488116639021126	6.638272163982407	1.1501555249612814	Same Family
[P23458, P52333]	c1ccc(cc1)c2cc3c(c(cnn3c2)C(=O)N)NC4CCCNC4	P52333	P23458	7.243363891754152	7.272458742971444	0.02909485121729194	Same Family
[P23458, P52333]	c1ccc(cc1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	7.318758762624412	7.7447274948966935	0.42596873227228116	Same Family
[P23458, P52333]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P23458	6.609064892896621	7.508638306165727	0.8995734132691062	Same Family
[P23458, P52333]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P52333	P23458	6.00436480540245	6.661543506395395	0.6571787009929446	Same Family
[P23458, P52333]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	P52333	P23458	7.508638306165727	7.0915149811213505	0.41712332504437644	Same Family
[P23458, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	P52333	P23458	5.7447274948966935	4.94692155651658	0.7978059383801135	Same Family
[P23458, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P23458	4.85078088734462	4.935542010773082	0.08476112342846154	Same Family
[P23458, P52333]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	P52333	P23458	7.769551078621726	8.698970004336019	0.9294189257142929	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCCNc5ccnc(c5)F	P52333	P23458	6.8696662315049934	5.97469413473523	0.8949720967697639	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCCn5ccnc5	P52333	P23458	5.940058111938045	5.063486257521107	0.8765718544169383	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	P52333	P23458	6.696803942579511	5.686554629573586	1.0102493130059251	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)C5CN(C5)c6ccnc(c6)F	P52333	P23458	6.239577516576788	4.953895212753961	1.2856823038228269	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(CC5)c6ccnc(c6)F	P52333	P23458	6.204119982655925	5.317043073698792	0.8870769089571331	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CN(C5)c6ccnc(c6)F	P52333	P23458	6.698970004336019	5.3875340360468575	1.3114359682891612	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCCn5ccnc5	P52333	P23458	6.892790030352131	6.522878745280337	0.3699112850717938	Same Family
[P23458, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P52333	P23458	7.5376020021010435	6.373659632624958	1.1639423694760858	Same Family
[P23458, P52333]	c1ccc2c(c1)cc(cn2)c3cc4c(c(cnn4c3)C(=O)N)NC5CCOCC5	P52333	P23458	7.3979400086720375	7.3979400086720375	0.0	Same Family
[O60674, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cc(c(c(c3)F)N4CCOCC4)F)Cl	P52333	O60674	7.698970004336019	6.454692883534176	1.2442771208018426	Different Family
[O60674, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P52333	O60674	8.886056647693163	7.7544873321858505	1.1315693155073125	Different Family
[O60674, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	P52333	O60674	8.638272163982407	6.375717904164332	2.2625542598180752	Different Family
[O60674, P52333]	CC(=O)C1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.4698003017969175	7.6595558851598815	1.189755583362964	Different Family
[O60674, P52333]	CC(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.253907838715058	10.217299253277476	0.036608585437582164	Different Family
[O60674, P52333]	CC(=O)N1CCC(CC1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.21831641549265	10.116338564846382	0.8980221493537321	Different Family
[O60674, P52333]	CC(=O)N1CCC(CC1)Nc2c3cc[nH]c3ncc2C(=O)N	P52333	O60674	6.468521082957745	6.1938200260161125	0.27470105694163216	Different Family
[O60674, P52333]	CC(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	7.086186147616283	7.036212172654444	0.04997397496183886	Different Family
[O60674, P52333]	CC(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.892450870255313	10.642065152999546	0.2503857172557673	Different Family
[O60674, P52333]	CC(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cn[nH]4	P52333	O60674	8.0	8.0	0.0	Different Family
[O60674, P52333]	CC(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4cc[nH]c4n3	P52333	O60674	8.0	8.0	0.0	Different Family
[O60674, P52333]	CC(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4ccn(c4n3)C	P52333	O60674	8.0	8.0	0.0	Different Family
[O60674, P52333]	CC(=O)N1CCCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.968995718636464	10.718966632752272	0.7499709141158082	Different Family
[O60674, P52333]	CC(=O)NC1CCc2c1cc(cc2)Oc3cnc4c(n3)c(c[nH]4)C(=O)NC(C(=O)N5CC(C5)C#N)C(C)(C)C	P52333	O60674	7.2441251443275085	6.350665141287858	0.8934600030396505	Different Family
[O60674, P52333]	CC(=O)NCC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.721246399047171	7.818156412055227	1.0969100130080562	Different Family
[O60674, P52333]	CC(=O)Nc1ccc(cc1)Sc2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)C(=O)OC(C)(C)C	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	O60674	6.790404567999144	8.46470587995723	1.674301311958085	Different Family
[O60674, P52333]	CC(C(=O)N(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	O60674	6.981299501333757	6.636012170251509	0.34528733108224774	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)C(CC5)NC(=O)C	P52333	O60674	6.950781977329818	5.8696662315049934	1.0811157458248246	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5c(cc(cc5F)Cl)n(n4)C	P52333	O60674	8.744727494896694	7.251811972993799	1.4929155219028942	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5cc(ccc5n(n4)C)Cl	P52333	O60674	8.522878745280337	7.552841968657781	0.9700367766225568	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C#N	P52333	O60674	8.638272163982407	7.42021640338319	1.218055760599217	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C(C)(C)C	P52333	O60674	8.0	7.886056647693163	0.11394335230683694	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C6CC6	P52333	O60674	8.508638306165727	7.823908740944319	0.6847295652214083	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P52333	O60674	8.958607314841775	7.657577319177793	1.3010299956639813	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccccc5n(n4)C	P52333	O60674	8.537602002101044	7.698970004336019	0.8386319977650256	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4cnc5n4ccc(c5)Cl	P52333	O60674	8.468521082957745	7.2441251443275085	1.224395938630236	Different Family
[O60674, P52333]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)n4c5ccc(cc5cn4)Cl	P52333	O60674	7.978810700930062	7.080921907623926	0.8978887933061355	Different Family
[O60674, P52333]	CC(C(=O)N1CCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	6.8297382846050425	6.46167766676856	0.36806061783648225	Different Family
[O60674, P52333]	CC(C(=O)N1CCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	7.314258261397736	6.915066425063284	0.39919183633445243	Different Family
[O60674, P52333]	CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	7.161780778092374	6.909741947068683	0.2520388310236905	Different Family
[O60674, P52333]	CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	O60674	7.7453987388344485	7.2408680902357165	0.504530648598732	Different Family
[O60674, P52333]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	O60674	6.928117992693875	8.397940008672037	1.4698220159781625	Different Family
[O60674, P52333]	CC(C)(C)C(=O)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	8.410050398674292	9.88941028970075	1.4793598910264585	Different Family
[O60674, P52333]	CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P52333	O60674	9.096910013008056	8.886056647693163	0.21085336531489318	Different Family
[O60674, P52333]	CC(C)(C)CCS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCN(CC3)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.66054855869356	10.76447155309245	0.8960770056011089	Different Family
[O60674, P52333]	CC(C)(C)CCS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)SC)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.616184634019568	10.53313237964589	1.083052254373678	Different Family
[O60674, P52333]	CC(C)(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	8.698970004336019	7.795880017344075	0.9030899869919438	Different Family
[O60674, P52333]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	O60674	4.987162775294828	5.931814138253839	0.9446513629590108	Different Family
[O60674, P52333]	CC(C)(C)NS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.1890957193313	9.65462626944091	0.5344694498903895	Different Family
[O60674, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	P52333	O60674	6.1904402853647325	8.301029995663981	2.110589710299249	Different Family
[O60674, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	P52333	O60674	5.623423042943488	8.301029995663981	2.6776069527204935	Different Family
[O60674, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	P52333	O60674	6.36251027048749	8.096910013008056	1.7343997425205666	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.311580177997289	7.0915149811213505	0.7799348031240614	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(C(C1)O)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.147886139150239	8.869666231504993	1.7217800923547548	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(C1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	P52333	O60674	5.487235581459991	7.0087296108049	1.5214940293449084	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.000043431619807	5.187153463032929	0.18711003141312155	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	P52333	O60674	5.5230235342404725	7.210489795909746	1.6874662616692735	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	O60674	5.000043431619807	6.443022454937079	1.442979023317272	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	P52333	O60674	6.000434511774017	6.785818691336179	0.7853841795621621	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	P52333	O60674	5.5230235342404725	5.850356041040456	0.3273325067999835	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)C	P52333	O60674	5.000043431619807	6.714262709853346	1.7142192782335384	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	P52333	O60674	5.7826503130122315	6.276060224070285	0.49340991105805365	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	P52333	O60674	5.956378401806097	6.4862099349802405	0.5298315331741437	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	P52333	O60674	5.5230235342404725	6.170824926082912	0.6478013918424397	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	P52333	O60674	5.000043431619807	5.826368006999586	0.826324575379779	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	O60674	5.000043431619807	5.955127199187436	0.9550837675676291	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.665164398473644	8.721246399047171	2.056082000573527	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(cn2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.679438319804763	9.301029995663981	1.621591675859218	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.29929628285498	8.886056647693163	1.5867603648381827	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccccc5	P52333	O60674	6.996108833763089	8.18045606445813	1.1843472306950416	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.527185063781897	8.429457060118102	1.9022719963362045	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.187153463032929	5.939853875108249	0.7527004120753205	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5F)C(F)(F)F	P52333	O60674	5.000043431619807	6.232087561897578	1.232044130277771	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	O60674	5.000043431619807	5.674767664568116	0.674724232948309	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5cnn6C	P52333	O60674	6.6441655041150645	7.781858710760339	1.1376932066452747	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	P52333	O60674	5.595075672331118	6.186892924414693	0.5918172520835743	Different Family
[O60674, P52333]	CC(C)(C)OC(=O)NC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.638272163982407	7.315154638355588	0.6768824743731807	Different Family
[O60674, P52333]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	O60674	6.72584215073632	8.0	1.2741578492636796	Different Family
[O60674, P52333]	CC(C)(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	O60674	6.401209493236885	7.164943898279883	0.7637344050429986	Different Family
[O60674, P52333]	CC(C)(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	P52333	O60674	6.956794961112342	8.58335949266172	1.626564531549377	Different Family
[O60674, P52333]	CC(C)(CNc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4)O	P52333	O60674	10.402414498247795	9.752272167090277	0.6501423311575181	Different Family
[O60674, P52333]	CC(C)C(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.657577319177793	9.77365791283637	0.1160805936585767	Different Family
[O60674, P52333]	CC(C)C(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	O60674	8.10790539730952	7.486782399932061	0.6211229973774586	Different Family
[O60674, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)C4CCOCC4	P52333	O60674	8.337242168318426	7.920818753952375	0.4164234143660508	Different Family
[O60674, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCOCC4	P52333	O60674	8.55284196865778	7.853871964321762	0.6989700043360187	Different Family
[O60674, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCS(=O)(=O)CC4	P52333	O60674	8.397940008672037	7.886056647693163	0.5118833609788744	Different Family
[O60674, P52333]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	O60674	7.844335023848103	6.831770133075735	1.012564890772368	Different Family
[O60674, P52333]	CC(C)CC(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	8.0	9.814741234703416	1.8147412347034155	Different Family
[O60674, P52333]	CC(C)CCS(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.262250926108443	9.09108625997903	0.17116466612941394	Different Family
[O60674, P52333]	CC(C)COC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	9.87942606879415	11.115204636051018	1.2357785672568689	Different Family
[O60674, P52333]	CC(C)COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	O60674	6.465707303733072	7.486249849918177	1.020542546185105	Different Family
[O60674, P52333]	CC(C)COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	O60674	5.000043431619807	5.746637760166932	0.7465943285471246	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CC(CC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4)C(F)(F)F	P52333	O60674	9.870632404277014	9.333950261519485	0.5366821427575292	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCC(C(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4)O	P52333	O60674	11.376233999866068	10.045757490560675	1.3304765093053934	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	8.93666664104825	9.1791420105603	0.24247536951205007	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	8.154901959985743	7.327902142064283	0.8269998179214602	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)[nH]cn4	P52333	O60674	9.0	8.522878745280337	0.4771212547196626	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cn[nH]4	P52333	O60674	9.536704390037997	9.0	0.5367043900379969	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4cc[nH]c4n3	P52333	O60674	8.957424487559809	9.71783122169536	0.7604067341355503	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4ccn(c4n3)C	P52333	O60674	9.123608938180812	9.236422275533355	0.11281333735254329	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N(C)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.3040807471686	10.260427655549908	1.0436530916186921	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.937418015771836	10.707743928643524	1.2296740871283127	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCN(CC3)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.170374646641951	10.232844133917819	0.9375305127241322	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCOCC3)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.978397283971757	10.309803919971486	0.6685933640002713	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.72584215073632	10.189767482004916	1.5360746687314037	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)SC)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.047207556955907	10.11690664142431	0.930300915531598	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(cncn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.707743928643524	10.23582386760967	1.4719200610338543	Different Family
[O60674, P52333]	CC(C)CS(=O)(=O)N1CCCC(C1)Nc2c(nccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.63846102873072	10.098541678603887	0.5399193501268336	Different Family
[O60674, P52333]	CC(C)Cn1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	O60674	7.0	6.4089353929735005	0.5910646070264995	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	O60674	7.351639989019068	6.97387548325455	0.37776450576451825	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cc(cc(c3)OC)OC	P52333	O60674	6.3979400086720375	6.0	0.3979400086720375	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc(cc3)C#N	P52333	O60674	6.376750709602099	6.045757490560675	0.3309932190414244	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)C(CC4)NC(=O)C	P52333	O60674	6.661196523639753	5.881341257912602	0.7798552657271509	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)CCC4	P52333	O60674	6.431798275933005	6.236572006437063	0.1952262694959419	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cccc(c3)C#N	P52333	O60674	6.013228265733755	5.903089986991944	0.11013827874181104	Different Family
[O60674, P52333]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccccc3	P52333	O60674	6.6777807052660805	6.6020599913279625	0.07572071393811797	Different Family
[O60674, P52333]	CC(C)Oc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	P52333	O60674	5.488355900953956	5.918659894485802	0.43030399353184556	Different Family
[O60674, P52333]	CC(C)S(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.094096233783382	9.241996990700201	0.14790075691681892	Different Family
[O60674, P52333]	CC(C)S(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.108351056129441	9.13757044389399	0.0292193877645488	Different Family
[O60674, P52333]	CC(C)S(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	P52333	O60674	7.372634143407267	8.67778070526608	1.3051465618588134	Different Family
[O60674, P52333]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	5.721246399047171	5.229147988357856	0.4920984106893149	Different Family
[O60674, P52333]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	8.065501548756432	7.649751981665837	0.41574956709059485	Different Family
[O60674, P52333]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	P52333	O60674	7.522878745280337	7.154901959985743	0.3679767852945943	Different Family
[O60674, P52333]	CC(C1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	7.360513510731414	6.449527042893436	0.9109864678379775	Different Family
[O60674, P52333]	CC(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	P52333	O60674	7.191399917491635	9.035930146562439	1.8445302290708039	Different Family
[O60674, P52333]	CC(COC)Nc1cc(nc(n1)n2cnc3c2cncc3)c4ccoc4	P52333	O60674	7.037472939844078	6.600723014316239	0.4367499255278391	Different Family
[O60674, P52333]	CC(COC)Nc1ccnc(n1)n2cnc3c2cc(cc3)C#N	P52333	O60674	7.346787486224656	6.906578314837765	0.44020917138689075	Different Family
[O60674, P52333]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	P52333	O60674	5.070581074285707	4.91721462968355	0.15336644460215698	Different Family
[O60674, P52333]	CC(c1ccc(cc1)Cl)Nc2ccnc(n2)n3cnc4c3cncc4	P52333	O60674	5.714892970433188	7.292429823902063	1.5775368534688754	Different Family
[O60674, P52333]	CC(c1ccc(cc1)F)Nc2cc(nc(n2)n3cnc4c3cncc4)c5ccoc5	P52333	O60674	7.080921907623926	7.552841968657781	0.4719200610338543	Different Family
[O60674, P52333]	CC(c1ccc(cc1)F)Nc2ccnc(n2)n3cnc4c3cncc4	P52333	O60674	7.036212172654444	8.096910013008056	1.0606978403536118	Different Family
[O60674, P52333]	CC(c1ccccc1)N(C)c2ccnc(n2)n3cnc4c3cncc4	P52333	O60674	6.0655015487564325	6.815308569182402	0.749807020425969	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cc(cc4)C#N)c5ccoc5	P52333	O60674	7.508638306165727	7.5376020021010435	0.028963695935316558	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)N(C)C	P52333	O60674	7.721246399047171	8.154901959985743	0.43365556093857194	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)N5CCC(C5)O	P52333	O60674	6.7447274948966935	7.229147988357856	0.48442049346116267	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)N5CCN(CC5)C	P52333	O60674	7.214670164989233	7.721246399047171	0.5065762340579383	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5ccc(c(c5)OC)OC	P52333	O60674	7.309803919971486	7.920818753952375	0.6110148339808887	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5ccc(cc5)C#N	P52333	O60674	7.376750709602099	7.7447274948966935	0.3679767852945943	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5ccc(cc5)N(C)C	P52333	O60674	7.2076083105017466	7.698970004336019	0.4913616938342722	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5cccc(c5)C#N	P52333	O60674	6.777283528852417	7.251811972993799	0.4745284441413826	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5cccc(c5)N(C)C	P52333	O60674	6.327902142064283	6.777283528852417	0.4493813867881338	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5ccoc5	P52333	O60674	7.221848749616356	7.795880017344075	0.5740312677277188	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2cc(nc(n2)n3cnc4c3cncc4)c5cnn(c5)C	P52333	O60674	6.610833915635467	7.113509274827518	0.5026753591920503	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2ccnc(n2)n3cnc4c3ccnc4	P52333	O60674	6.154901959985743	7.292429823902063	1.1375278639163202	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2ccnc(n2)n3cnc4c3cncc4	P52333	O60674	7.6777807052660805	8.397940008672037	0.720159303405957	Different Family
[O60674, P52333]	CC(c1ccccc1)Nc2nccc(n2)n3cnc4c3cncc4	P52333	O60674	6.838631997765025	7.309803919971486	0.4711719222064614	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2c(c(nc(n2)Nc3cc([nH]n3)OC)N4CCOCC4)F	P52333	O60674	4.949620243738543	7.431798275933005	2.4821780321944624	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C)Nc4cn(cn4)C	P52333	O60674	5.121478204498794	7.568636235841013	2.4471580313422194	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C4CC4)Nc5cn(cn5)C	P52333	O60674	5.609064892896621	7.568636235841013	1.9595713429443924	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc(c3cnn(c3n2)C)Nc4cn(cn4)C	P52333	O60674	5.841637507904751	7.823908740944319	1.982271233039568	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cc(cn3)F)c(n2)Nc4cn(cn4)C	P52333	O60674	4.522878745280337	6.309803919971486	1.7869251746911488	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cccn3)c(n2)Nc4cn(cn4)C	P52333	O60674	5.422508200162775	7.481486060122113	2.058977859959338	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3c(cn[nH]3)c(n2)Nc4cn(cn4)C	P52333	O60674	5.335358024443875	7.301029995663981	1.9656719712201065	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3cc(ccc3c(n2)Nc4cn(cn4)C)OC	P52333	O60674	4.881074247174223	7.619788758288394	2.7387145111141704	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3ccccc3c(n2)Nc4cn(cn4)C	P52333	O60674	4.828858848971618	8.522878745280337	3.6940198963087196	Different Family
[O60674, P52333]	CC(c1ncc(cn1)F)Nc2nc3cnccc3c(n2)Nc4cn(cn4)C	P52333	O60674	5.739928612014925	7.920818753952375	2.18089014193745	Different Family
[O60674, P52333]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	P52333	O60674	7.8979400086720375	6.880225139579764	1.0177148690922735	Different Family
[O60674, P52333]	CC1(C(CCC1(C)O)Nc2c3cccn3ncc2C(=O)N)C	P52333	O60674	8.037860356969059	7.2543191530828635	0.7835412038861955	Different Family
[O60674, P52333]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	P52333	O60674	7.770303756120384	6.8278038631574445	0.9424998929629398	Different Family
[O60674, P52333]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	P52333	O60674	8.008864383480216	7.131403678647631	0.8774607048325844	Different Family
[O60674, P52333]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	P52333	O60674	7.673393743112328	6.835301060319479	0.8380926827928494	Different Family
[O60674, P52333]	CC1(CCC(c2c1ccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)(C)C)C	P52333	O60674	5.000043431619807	7.557520230935552	2.5574767993157446	Different Family
[O60674, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	P52333	O60674	7.5869625986495866	7.214728530059051	0.37223406859053565	Different Family
[O60674, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)CO	P52333	O60674	7.236830361305078	6.689411859112482	0.5474185021925955	Different Family
[O60674, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	P52333	O60674	7.268950809432422	6.610924374808178	0.6580264346242437	Different Family
[O60674, P52333]	CC1(CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C	P52333	O60674	7.161150909262744	7.070581074285707	0.09056983497703719	Different Family
[O60674, P52333]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	O60674	6.2564902352715706	7.294992040666664	1.0385018053950938	Different Family
[O60674, P52333]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	O60674	6.3655227298392685	7.388276691992658	1.0227539621533897	Different Family
[O60674, P52333]	CC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	O60674	6.614393726401688	7.375717904164332	0.7613241777626438	Different Family
[O60674, P52333]	CC1(CN(CC1(C)CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	O60674	6.236572006437063	7.2549252084179425	1.0183532019808794	Different Family
[O60674, P52333]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCC(CC4)CO	P52333	O60674	7.367542707815276	7.488116639021126	0.12057393120584958	Different Family
[O60674, P52333]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCCC(C4)O	P52333	O60674	7.6001574545454496	8.041299766022375	0.4411423114769253	Different Family
[O60674, P52333]	CC1CC(CN(C1)C2(COC2)CC#N)Nc3c(cccn3)c4cnc5c(n4)cc[nH]5	P52333	O60674	9.721932669111338	9.291069464193384	0.43086320491795327	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)C(C)C)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.529148675473882	9.652474840001311	0.8766738354725714	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)C)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.430158100596238	9.853561864714225	0.5765962358820129	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)C)Nc2c(cnc(n2)N3CCN(CC3)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.57218942732401	9.66394072213365	0.9082487051903598	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)CC#N)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.283579266153446	10.478861916295964	0.8047173498574818	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)CC#N)Nc2c(cnc(n2)N3CCN(CC3)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.381951903287908	10.106793246940152	1.275158656347756	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)CC(C)C)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	8.301029995663981	7.251811972993799	1.049218022670182	Different Family
[O60674, P52333]	CC1CC(CN(C1)S(=O)(=O)CC(C)C)Nc2c(cnc(n2)N3CCN(CC3)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.28525123927494	10.076755981369724	1.2084952579052164	Different Family
[O60674, P52333]	CC1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	O60674	7.376750709602099	7.638272163982407	0.2615214543803077	Different Family
[O60674, P52333]	CC1CCCC(C1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	O60674	7.6777807052660805	7.638272163982407	0.03950854128367354	Different Family
[O60674, P52333]	CC1CCCCC1Nc2c3cc[nH]c3ncc2C(=O)N	P52333	O60674	8.292429823902063	7.522878745280337	0.7695510786217259	Different Family
[O60674, P52333]	CC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	O60674	8.045757490560675	8.06304920106777	0.017291710507095104	Different Family
[O60674, P52333]	CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.070070439915412	7.141462802430361	1.071392362514949	Different Family
[O60674, P52333]	CC1CCCN(C1)c2c3c(c[nH]c3ncn2)c4cccc(c4)C#N	P52333	O60674	7.267606240177032	6.2403321553103694	1.0272740848666624	Different Family
[O60674, P52333]	CC1CCCN1S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.34008379993015	7.368556230986828	1.0284724310566782	Different Family
[O60674, P52333]	CC1CCN(C1)C(=O)C(C)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P52333	O60674	7.09366495819491	6.872247484167027	0.22141747402788248	Different Family
[O60674, P52333]	CC1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.1073489661227	7.070070439915412	0.9627214737927119	Different Family
[O60674, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CO	P52333	O60674	7.494850021680094	6.318758762624412	1.1760912590556813	Different Family
[O60674, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)Cc4cccc(c4F)F	P52333	O60674	7.376750709602099	5.841637507904751	1.5351132016973486	Different Family
[O60674, P52333]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)S(=O)(=O)CC(F)(F)F	P52333	O60674	7.853871964321762	6.102372908709558	1.7514990556122036	Different Family
[O60674, P52333]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C(=O)CC#N	P52333	O60674	8.958607314841775	8.585026652029182	0.37358066281259283	Different Family
[O60674, P52333]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3n(c2=O)C)C(=O)CC#N	P52333	O60674	8.301029995663981	8.136677139879543	0.16435285578443803	Different Family
[O60674, P52333]	CC1CN(C12CCCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N	P52333	O60674	8.199759210156177	8.884775539310862	0.6850163291546849	Different Family
[O60674, P52333]	CC1CN(CC1CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	9.703334809738468	10.782516055786093	1.079181246047625	Different Family
[O60674, P52333]	CC1CN(CC1S(=O)(=O)C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.560667306169737	7.492144128304169	0.9314768221344316	Different Family
[O60674, P52333]	CC1CN(CCC1Nc2c3cc[nH]c3ncc2C(=O)N)c4ccc(cn4)C#N	P52333	O60674	9.10790539730952	7.853871964321762	1.2540334329877574	Different Family
[O60674, P52333]	CC1CN(CCN1C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	5.716698771296451	6.8996294548824375	1.1829306835859867	Different Family
[O60674, P52333]	CC1c2cccc(c2)OCc3cccc(c3)Nc4ncc(c(n4)N1)Cl	P52333	O60674	6.853871964321762	6.455931955649724	0.3979400086720375	Different Family
[O60674, P52333]	CCC(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.710411047457404	10.072116589669292	0.36170554221188844	Different Family
[O60674, P52333]	CCC(C(C)C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	O60674	7.036212172654444	6.080921907623926	0.9552902650305182	Different Family
[O60674, P52333]	CCC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P52333	O60674	8.017728766960431	7.3535962737769305	0.6641324931835006	Different Family
[O60674, P52333]	CCC(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P52333	O60674	7.2839966563652006	6.7447274948966935	0.539269161468507	Different Family
[O60674, P52333]	CCC(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P52333	O60674	6.171984935776023	7.042871802323187	0.8708868665471643	Different Family
[O60674, P52333]	CCC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)NC(=O)OCc5ccccc5	P52333	O60674	6.0726296369609765	7.1444808443322	1.0718512073712239	Different Family
[O60674, P52333]	CCC1(CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P52333	O60674	6.305394801066432	7.2580609222708015	0.9526661212043699	Different Family
[O60674, P52333]	CCC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)C(=O)N	P52333	O60674	6.452225294612178	7.213958789757446	0.7617334951452683	Different Family
[O60674, P52333]	CCC1CCCCC1NS(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	5.826813731587726	7.226945306635738	1.400131575048012	Different Family
[O60674, P52333]	CCC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	O60674	8.522878745280337	8.443697499232712	0.07918124604762511	Different Family
[O60674, P52333]	CCCC(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.154715873652009	9.91578131326076	0.7610654396087515	Different Family
[O60674, P52333]	CCCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4cn(nc4c3)C	P52333	O60674	8.045757490560675	6.815308569182402	1.2304489213782732	Different Family
[O60674, P52333]	CCCS(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.127843727251707	7.262012673666569	1.1341689464148619	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CC(CC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4)C	P52333	O60674	11.110138278741811	10.170053304058364	0.9400849746834474	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.266000713461613	9.464959186748839	0.1989584732872256	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	8.0	7.107905397309519	0.8920946026904808	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)[nH]cn4	P52333	O60674	8.522878745280337	9.0	0.4771212547196626	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cn[nH]4	P52333	O60674	9.896538377905296	9.07930286553008	0.8172355123752162	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4cc[nH]c4n3	P52333	O60674	8.986320302708808	9.508358206522415	0.5220379038136063	Different Family
[O60674, P52333]	CCCS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4ccn(c4n3)C	P52333	O60674	8.892450870255313	9.0	0.10754912974468667	Different Family
[O60674, P52333]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	P52333	O60674	5.22548303427145	6.241088107602026	1.0156050733305761	Different Family
[O60674, P52333]	CCN(C(C)C)C(=O)c1cc2c3c(c(nc2n1CC(CO)O)NC)ncn3C	P52333	O60674	6.173925197299173	7.366531544420414	1.1926063471212407	Different Family
[O60674, P52333]	CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	5.906578314837765	6.939302159646388	1.032723844808623	Different Family
[O60674, P52333]	CCN(CC)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.2335871528876	7.444905551421681	1.2113183985340807	Different Family
[O60674, P52333]	CCN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.831826737829766	8.72584215073632	1.8940154129065538	Different Family
[O60674, P52333]	CCN1CCN(C(=O)C1=O)CC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.1220530483708115	7.043831569524636	0.9217785211538247	Different Family
[O60674, P52333]	CCN1CCN(CC1)c2ncc(c(n2)NC3CCCN(C3)S(=O)(=O)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.3137213219328	9.67264106561367	0.64108025631913	Different Family
[O60674, P52333]	CCN1CCP(=O)(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.237621570688036	8.790484985457368	1.552863414769332	Different Family
[O60674, P52333]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	O60674	6.014573525916998	7.318758762624412	1.304185236707414	Different Family
[O60674, P52333]	CCNC(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	5.924453038607469	7.204119982655925	1.279666944048456	Different Family
[O60674, P52333]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	O60674	5.518557371497695	6.453457336521869	0.934899965024174	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)C3=CCCCC3	P52333	O60674	8.221848749616356	7.2076083105017466	1.0142404391146096	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cc4ccccc4o3	P52333	O60674	8.397940008672037	7.214670164989233	1.1832698436828046	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cc4ccccc4s3	P52333	O60674	8.318758762624412	7.267606240177032	1.0511525224473806	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(c(c3)N)C	P52333	O60674	8.337242168318426	7.107905397309519	1.2293367710089065	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(c(c3)N)CO	P52333	O60674	8.080921907623926	6.667561540084395	1.4133603675395312	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(c(c3)N)Cl	P52333	O60674	8.1249387366083	6.903089986991944	1.2218487496163561	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)N	P52333	O60674	8.638272163982407	7.275724130399211	1.362548033583196	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)N(C)C	P52333	O60674	8.481486060122112	7.045757490560675	1.4357285695614372	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)N4CCS(=O)(=O)CC4	P52333	O60674	8.167491087293763	6.458420756053419	1.7090703312403441	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)O	P52333	O60674	8.244125144327509	6.872895201635193	1.3712299426923158	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)OC	P52333	O60674	8.244125144327509	6.872895201635193	1.3712299426923158	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)c4ccccc4	P52333	O60674	8.3767507096021	7.327902142064283	1.0488485675378163	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc(cc3)n4cccn4	P52333	O60674	8.1249387366083	6.91721462968355	1.2077241069247497	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4c(c3)CCN4	P52333	O60674	8.823908740944319	7.455931955649724	1.3679767852945943	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4c(c3)NCC4	P52333	O60674	8.337242168318426	7.040958607678906	1.2962835606395195	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4c(c3)OCO4	P52333	O60674	8.42021640338319	7.180456064458132	1.2397603389250582	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4c(c3)cn[nH]4	P52333	O60674	8.187086643357144	7.008773924307505	1.1783127190496394	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4c(c3)nn(c4F)C	P52333	O60674	8.09151498112135	6.4698003017969175	1.6217146793244321	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4cc[nH]c4c3	P52333	O60674	8.013228265733755	6.863279432843593	1.1499488328901615	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4ccccc4c3	P52333	O60674	8.05551732784983	6.730487055782084	1.325030272067747	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccc4cn(nc4c3)C	P52333	O60674	8.142667503568731	6.5638373529592435	1.5788301506094875	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)C	P52333	O60674	8.119186407719209	6.844663962534939	1.27452244518427	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)Cl	P52333	O60674	8.075720713938118	6.838631997765025	1.2370887161730932	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)F	P52333	O60674	8.045757490560675	6.91721462968355	1.1285428608771246	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)NC(=O)C(=C)Br	P52333	O60674	10.366531544420413	6.049635145623877	4.316896398796536	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)NC(=O)C=C	P52333	O60674	10.397940008672037	6.102372908709558	4.295567099962479	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)NC(=O)C=CC	P52333	O60674	8.438400962484	6.316052869248488	2.1223480932355114	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)NC(=O)C=Cc4ccccn4	P52333	O60674	8.18045606445813	6.3448615651886175	1.8355944992695132	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)NC(=O)C=Cc4nccs4	P52333	O60674	8.4089353929735	6.304518323509803	2.1044170694636977	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)Nc4nc(ns4)Cl	P52333	O60674	8.036212172654444	6.962573502059376	1.0736386705950682	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)O	P52333	O60674	8.2518119729938	6.896196279044043	1.3556156939497566	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)OCC(F)(F)F	P52333	O60674	8.455931955649724	7.136677139879544	1.3192548157701802	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3cccc(c3)OCc4ccccc4	P52333	O60674	8.481486060122112	7.2076083105017466	1.2738777496203655	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccccc3	P52333	O60674	8.259637310505756	7.040958607678906	1.2186787028268498	Different Family
[O60674, P52333]	CCOC(=O)c1c[nH]c2c1c(ncn2)c3ccccc3F	P52333	O60674	8.1249387366083	6.774690718274138	1.3502480183341623	Different Family
[O60674, P52333]	CCOC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	7.498940737782249	8.388276691992658	0.8893359542104093	Different Family
[O60674, P52333]	CCOCCOC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.603800652904264	7.774690718274137	1.170890065369873	Different Family
[O60674, P52333]	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5)OCC	P52333	O60674	4.42712839779952	5.376750709602099	0.949622311802579	Different Family
[O60674, P52333]	CCOP(=O)(OCC)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	8.744727494896694	9.935542010773082	1.1908145158763883	Different Family
[O60674, P52333]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	P52333	O60674	5.842975625966126	6.6516367156148135	0.8086610896486874	Different Family
[O60674, P52333]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	O60674	5.470455440175067	6.796124376722666	1.3256689365475989	Different Family
[O60674, P52333]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	O60674	5.952892650683909	6.864708295524248	0.9118156448403392	Different Family
[O60674, P52333]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)C(=O)OC(C)(C)C	P52333	O60674	5.6219002109472775	5.957412675540518	0.3355124645932408	Different Family
[O60674, P52333]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C	P52333	O60674	6.25418379171816	6.672702382104146	0.41851859038598604	Different Family
[O60674, P52333]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	O60674	6.602894638250913	7.154653862588591	0.5517592243376788	Different Family
[O60674, P52333]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	O60674	6.201777646082515	7.332972056040895	1.13119440995838	Different Family
[O60674, P52333]	CCOc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.486382926212125	9.849857838151442	0.636525088060683	Different Family
[O60674, P52333]	CCS(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.716925025264528	9.607478910068068	0.10944611519646052	Different Family
[O60674, P52333]	CCS(=O)(=O)N1CCCC(C1)Nc2c(ccc(n2)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.292514988032526	9.792634962530927	0.49988002550159827	Different Family
[O60674, P52333]	CCc1c(sc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P52333	O60674	6.337242168318426	8.853871964321762	2.516629796003336	Different Family
[O60674, P52333]	CCc1ccc(nc1)COCC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.168770306132936	7.196542884351586	1.0277725782186495	Different Family
[O60674, P52333]	CCc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	O60674	6.327902142064283	5.91721462968355	0.41068751238073276	Different Family
[O60674, P52333]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P52333	O60674	6.6777807052660805	8.823908740944319	2.146128035678238	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	P52333	O60674	7.060480747381382	8.920818753952375	1.8603380065709931	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	P52333	O60674	5.301029995663981	6.638272163982407	1.3372421683184257	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)N5CCS(=O)(=O)CC5)C)C(=O)N(C6CC6)C7CC7	P52333	O60674	7.508638306165727	9.154901959985743	1.6462636538200162	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)NC)C)C(=O)N(C5CC5)C6CC6	P52333	O60674	7.721246399047171	9.045757490560675	1.3245110915135037	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C(=O)NC)C(=O)N(C5CC5)C6CC6	P52333	O60674	7.309803919971486	8.508638306165727	1.1988343861942408	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)S(=O)(=O)C)C)C(=O)N(C5CC5)C6CC6	P52333	O60674	7.2839966563652006	8.853871964321762	1.5698753079565613	Different Family
[O60674, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P52333	O60674	5.42021640338319	7.481486060122113	2.061269656738923	Different Family
[O60674, P52333]	CCn1cc(cn1)Nc2nc3c(cccn3n2)Oc4ccc(cc4)S(=O)(=O)C	P52333	O60674	5.5230235342404725	5.936674148364337	0.4136506141238643	Different Family
[O60674, P52333]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)C(F)(F)F	P52333	O60674	7.153724757587787	8.546681659952963	1.3929569023651762	Different Family
[O60674, P52333]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	O60674	7.0003475746339205	8.72584215073632	1.725494576102399	Different Family
[O60674, P52333]	CCn1cc(cn1)c2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C(=O)N4CC(C4)C#N	P52333	O60674	8.2839966563652	7.7447274948966935	0.539269161468507	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	6.3818891182628255	7.22373478173189	0.8418456634690648	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	O60674	5.789740353409887	6.280420142286276	0.4906797888763892	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(cnc5OC)C(F)(F)F	P52333	O60674	5.649114579623166	7.1273193928480705	1.4782048132249042	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	P52333	O60674	6.84357200768195	8.411168274405792	1.5675962667238421	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	O60674	6.5946365621230285	7.984640244590786	1.390003682467757	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	P52333	O60674	7.438660058541099	8.355561410532161	0.9169013519910623	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	P52333	O60674	7.040672354027829	7.47249898901888	0.4318266349910509	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	O60674	6.981341102414483	7.430509045651217	0.44916794323673415	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc[nH]c5=O	P52333	O60674	6.462331990154168	6.568250367773066	0.10591837761889789	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)OC	P52333	O60674	6.744076541267098	7.971022294791222	1.2269457535241237	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	P52333	O60674	7.017276612331455	7.727462222624762	0.7101856102933075	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	P52333	O60674	6.907595193100992	7.340559218129682	0.43296402502869036	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	P52333	O60674	5.773374321404195	6.5997902298379385	0.8264159084337432	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	P52333	O60674	6.3477052992747955	6.871633046061918	0.5239277467871224	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	O60674	7.336770365467133	8.97469413473523	1.637923769268098	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.951197081983394	7.122168108507107	1.1709710265237128	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	O60674	6.892247501259837	7.817300096663957	0.9250525954041198	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	6.272645838942267	7.382999658879101	1.1103538199368348	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	O60674	7.031517051446065	7.67264106561367	0.6411240141676045	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	6.125187803517263	7.263762901095271	1.1385750975780082	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)F	P52333	O60674	6.823648242396929	7.947306058075032	1.1236578156781034	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	O60674	5.777970621447387	6.499612564078817	0.7216419426314307	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)F	P52333	O60674	5.000043431619807	6.5688453909477555	1.5688019593279483	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)Cl	P52333	O60674	5.989585547213886	6.936216439402645	0.9466308921887592	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	P52333	O60674	7.497299824689438	8.071604147743287	0.5743043230538492	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)F	P52333	O60674	6.5342009013268205	7.3281794398167515	0.7939785384899309	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	O60674	6.455535067815931	7.516983579855868	1.061448512039937	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	O60674	6.760000207113128	7.406603157699793	0.6466029505866651	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OCC(F)F	P52333	O60674	5.96060967843377	6.706283965173891	0.7456742867401207	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	6.465681922721908	7.268733650924508	0.8030517282026004	Different Family
[O60674, P52333]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	P52333	O60674	6.777751883141068	7.324130044681043	0.546378161539975	Different Family
[O60674, P52333]	CN(C)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.1911141326401875	7.29929628285498	1.1081821502147928	Different Family
[O60674, P52333]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	O60674	5.779891911959945	5.931814138253839	0.15192222629389374	Different Family
[O60674, P52333]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P52333	O60674	5.769551078621726	6.259637310505756	0.49008623188403	Different Family
[O60674, P52333]	CN(C)C1CCN(C1)c2ncc(c(n2)NC3CCCN(C3)S(=O)(=O)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.664742743565467	10.14996674231023	0.5147760012552371	Different Family
[O60674, P52333]	CN(C)C1CCN(CC1)c2ncc(c(n2)NC3CCCN(C3)S(=O)(=O)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.5880437620696	9.862329462763245	0.7257142993063539	Different Family
[O60674, P52333]	CN(C)CCNc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.485717952139622	9.716472635138306	0.7692453170013156	Different Family
[O60674, P52333]	CN(C)S(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.343901797987168	7.294136287716081	0.9502344897289134	Different Family
[O60674, P52333]	CN(C)S(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.320390428220245	9.95272513261582	0.36766529560442507	Different Family
[O60674, P52333]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	O60674	6.070581074285707	5.6020599913279625	0.46852108295774464	Different Family
[O60674, P52333]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	O60674	5.698970004336019	5.301029995663981	0.3979400086720375	Different Family
[O60674, P52333]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)CC(=O)N(C)C	P52333	O60674	7.050268547684293	8.30189945437661	1.2516309066923172	Different Family
[O60674, P52333]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	7.085339569410778	8.405607449624574	1.3202678802137955	Different Family
[O60674, P52333]	CN(C)c1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)c(c[nH]4)C#N	P52333	O60674	9.348334396077064	9.41016205685254	0.06182766077547619	Different Family
[O60674, P52333]	CN(C)c1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.246110668540167	9.862329462763245	0.38378120577692165	Different Family
[O60674, P52333]	CN(CCOc1cccc(c1)NC2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4)c5ccnc(c5)F	P52333	O60674	7.337242168318426	6.309803919971486	1.0274382483469395	Different Family
[O60674, P52333]	CN(Cc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	6.541830686367165	8.13430394008393	1.592473253716765	Different Family
[O60674, P52333]	CN(Cc1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	5.748868143273336	7.0111290339353545	1.2622608906620183	Different Family
[O60674, P52333]	CN(Cc1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	5.9313207334599305	6.844512137858718	0.9131914043987877	Different Family
[O60674, P52333]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)CCO)S(=O)(=O)C	P52333	O60674	6.390501637029355	7.443094730944552	1.0525930939151973	Different Family
[O60674, P52333]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	6.076730069584154	7.385313657717988	1.3085835881338337	Different Family
[O60674, P52333]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)S(=O)(=O)C)S(=O)(=O)C	P52333	O60674	6.5622969902736505	7.761452112318672	1.1991551220450214	Different Family
[O60674, P52333]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4cccc(c4)S(=O)(=O)C)S(=O)(=O)C	P52333	O60674	6.036292430137075	7.108797172739704	1.0725047426026295	Different Family
[O60674, P52333]	CN(c1c(cccn1)Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	6.573618883821267	7.4805658050862975	0.906946921265031	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	P52333	O60674	5.182434630440219	6.79317412396815	1.610739493527931	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	P52333	O60674	5.278189384787454	6.588302014569105	1.310112629781651	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	P52333	O60674	5.72584215073632	7.055517327849832	1.3296751771135114	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	P52333	O60674	5.496209316942819	7.070581074285707	1.5743717573428881	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	P52333	O60674	5.053547734986927	6.752026733638194	1.6984789986512663	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	P52333	O60674	5.092051478387727	6.504455662453552	1.4124041840658244	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	P52333	O60674	5.259637310505756	6.767003889607846	1.50736657910209	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	P52333	O60674	5.505845405981558	7.2839966563652006	1.778151250383643	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)CO	P52333	O60674	6.688246138944246	7.732828271596986	1.0445821326527405	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)F	P52333	O60674	6.560667306169737	7.464705879957229	0.9040385737874921	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)C#N	P52333	O60674	6.910094888560602	7.728158393463501	0.8180635049028995	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)O	P52333	O60674	6.92727126804831	7.735423471692741	0.8081522036444309	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)c5ccccc5	P52333	O60674	6.82102305270683	7.823908740944319	1.0028856882374884	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)F	P52333	O60674	6.844663962534939	7.698970004336019	0.8543060418010802	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)NC(=O)OC	P52333	O60674	6.4179366370882915	7.489454989793388	1.0715183527050964	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)O	P52333	O60674	6.518557371497695	7.46344155742847	0.9448841859307748	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)CC5CC5	P52333	O60674	6.525783735923745	7.30189945437661	0.7761157184528651	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)c5ccccc5	P52333	O60674	7.200659450546419	8.036212172654444	0.8355527221080257	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5[nH]nnn5	P52333	O60674	6.954677021213342	8.000434511774017	1.0457574905606748	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5cccnc5	P52333	O60674	6.460923901207224	7.448550002027125	0.9876261008199014	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5ncccn5	P52333	O60674	6.531652669587842	7.645891560852599	1.1142388912647565	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C(C4)O)O	P52333	O60674	6.781747086125322	7.637028217798364	0.855281131673042	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CCO)CO	P52333	O60674	6.213248577854439	7.339134521996131	1.1258859441416922	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(COc5cccc(c5)F)O	P52333	O60674	6.87942606879415	7.581698708680254	0.7022726398861039	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CSc5ccccn5)O	P52333	O60674	7.0675262353228465	7.882728704344236	0.815202469021389	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(Cn5cccn5)O	P52333	O60674	7.08460016478773	8.031517051446064	0.9469168866583342	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccc5)O	P52333	O60674	7.115771230367396	7.966576244513051	0.8508050141456547	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccn5)O	P52333	O60674	6.531652669587842	7.446116973356125	0.9144643037682831	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CC#N	P52333	O60674	6.399732061906485	7.421425804402752	1.021693742496267	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CO	P52333	O60674	6.824875990832918	7.9597156152328665	1.1348396243999481	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COC	P52333	O60674	6.860120913598763	7.647817481888637	0.7876965682898742	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COCc5cccnc5	P52333	O60674	6.335358024443875	7.493494967595128	1.158136943151253	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5ccccc5	P52333	O60674	6.142064735280571	7.184422251675732	1.0423575163951613	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5cnccn5	P52333	O60674	6.54821356447571	7.543633966870957	0.9954204023952471	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)F	P52333	O60674	6.5798747915471445	7.60809107260168	1.0282162810545357	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)NC(=O)C(F)(F)F	P52333	O60674	6.399027104313252	7.206209615309182	0.8071825109959301	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)O	P52333	O60674	6.631383794279598	7.546006950999439	0.9146231567198413	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OC	P52333	O60674	6.329754146925876	7.3788237182249645	1.0490695712990883	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OCC(=O)N5CCCC5	P52333	O60674	6.413412695328245	7.528708288941061	1.1152955936128164	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Oc5ccccc5C#N	P52333	O60674	6.384049948343599	7.6307841425898575	1.2467341942462582	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)C	P52333	O60674	6.903089986991944	7.565431095965801	0.6623411089738571	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)CCc5ccccc5	P52333	O60674	6.876148359032914	7.777283528852417	0.9011351698195025	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5	P52333	O60674	6.835647144215563	7.7594507517174005	0.9238036075018377	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5OC	P52333	O60674	7.015022873584507	7.756961951313706	0.7419390777291985	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5	P52333	O60674	6.382999658879101	7.39040559077478	1.0074059318956783	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5F	P52333	O60674	6.543633966870957	7.42712839779952	0.8834944309285628	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccn5	P52333	O60674	7.440093374963888	8.20620961530918	0.7661162403452932	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ncccn5	P52333	O60674	7.254144804826271	8.242603971206975	0.9884591663807045	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(CCOC)C(=O)N	P52333	O60674	7.402304814074488	8.047207556955907	0.6449027428814196	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(c5ccccc5)O	P52333	O60674	7.42712839779952	8.129596094720974	0.7024676969214534	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)C#N	P52333	O60674	6.3655227298392685	7.174573882232177	0.8090511523929083	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CC(=O)N	P52333	O60674	6.166852888087215	7.071604147743286	0.904751259656071	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CO	P52333	O60674	6.343901797987168	7.3585258894959	1.0146240915087326	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COC	P52333	O60674	6.36251027048749	7.1487416512809245	0.7862313807934349	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COCC5CC5	P52333	O60674	6.769551078621726	7.22329881601159	0.45374773738986374	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CS(=O)(=O)CC5CC5	P52333	O60674	6.308918507877031	7.052566278112949	0.7436477702359179	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)Cc5ncccn5	P52333	O60674	6.777283528852417	7.752026733638194	0.9747432047857769	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)N	P52333	O60674	5.6439741428068775	7.010995384301463	1.3670212414945855	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)O	P52333	O60674	6.465973893943865	7.465973893943865	1.0	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)OC	P52333	O60674	6.1979107421182675	6.97061622231479	0.7727054801965227	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)c5nc(no5)CS(=O)(=O)C	P52333	O60674	6.235823867609669	7.181774106386045	0.9459502387763754	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC4	P52333	O60674	6.539102157243452	7.404503778174426	0.8654016209309745	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)(COc5cccc(c5)F)O	P52333	O60674	6.308034897232639	7.329754146925876	1.0217192496932368	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C#N	P52333	O60674	6.4928258505674075	7.308061810862677	0.8152359602952695	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)N	P52333	O60674	6.653647025549361	7.686132779630847	1.0324857540814856	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)O	P52333	O60674	7.129011186239425	8.112945621949043	0.9839344357096182	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(F)(F)F	P52333	O60674	6.218963061378868	7.265200170411153	1.046237109032285	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CN5CCCC5	P52333	O60674	5.484126156288321	6.903089986991944	1.418963830703623	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CO	P52333	O60674	6.632644078973981	7.696803942579511	1.0641598636055303	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)COc5ccc(cc5)F	P52333	O60674	5.0	7.494850021680094	2.4948500216800937	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)C	P52333	O60674	6.24184537803261	7.035269078946371	0.7934237009137606	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)N	P52333	O60674	6.892790030352131	7.657577319177793	0.7647872888256622	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)Cc5ccccn5	P52333	O60674	6.22767829327708	7.481486060122113	1.253807766845033	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)F	P52333	O60674	6.6307841425898575	7.581698708680254	0.9509145660903968	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)O	P52333	O60674	6.835961982543364	7.876652143868537	1.0406901613251724	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OC	P52333	O60674	6.692503962086787	7.6252516539898965	0.932747691903109	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCC(=O)N	P52333	O60674	6.761953896871205	7.73754891026957	0.9755950133983653	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCCOC	P52333	O60674	10.434152181326482	11.39254497678533	0.9583927954588489	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OP(=O)(O)O	P52333	O60674	9.114638779968487	9.97469413473523	0.8600553547667431	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4CN5CCCC5	P52333	O60674	6.089909454405932	7.391473966422806	1.3015645120168742	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4COC	P52333	O60674	6.431798275933005	7.250263684430939	0.8184654084979339	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC5(C4)CC(=O)NC5	P52333	O60674	6.0	7.204119982655925	1.204119982655925	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)Cc5ccccn5	P52333	O60674	6.490797477668897	7.302770657240282	0.8119731795713854	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C#N	P52333	O60674	6.567030709125595	7.7544873321858505	1.187456623060256	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C(=O)NC6CC6	P52333	O60674	6.22548303427145	7.3655227298392685	1.1400396955678183	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5ccccn5	P52333	O60674	6.681936665037238	7.651695136951839	0.9697584719146013	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCS(=O)(=O)CC4	P52333	O60674	6.231361898752386	7.350665141287858	1.119303242535472	Different Family
[O60674, P52333]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCSC4	P52333	O60674	6.913640169325252	7.530177984021837	0.616537814696585	Different Family
[O60674, P52333]	CN(c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)S(=O)(=O)C	P52333	O60674	7.9582126810282485	9.568636235841012	1.6104235548127637	Different Family
[O60674, P52333]	CN(c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	6.493819795195838	7.469160221383479	0.9753404261876408	Different Family
[O60674, P52333]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	P52333	O60674	6.461979539682871	7.359121221298381	0.8971416816155102	Different Family
[O60674, P52333]	CN(c1ccnc2c1cc[nH]2)C3CCCCC3	P52333	O60674	5.958607314841775	5.7447274948966935	0.2138798199450811	Different Family
[O60674, P52333]	CN(c1cnc2c(n1)cc[nH]2)C(=O)NC3CCCN(C3)S(=O)(=O)C	P52333	O60674	6.476253533188435	5.355561410532162	1.1206921226562736	Different Family
[O60674, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Br	P52333	O60674	4.716698771296451	5.324221658325915	0.6075228870294644	Different Family
[O60674, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)C(=O)N	P52333	O60674	5.346787486224656	4.987162775294828	0.35962471092982806	Different Family
[O60674, P52333]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)S(=O)(=O)C)Cl	P52333	O60674	4.559090917934783	5.555955204081924	0.9968642861471411	Different Family
[O60674, P52333]	CN1CCC(CC1)Nc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Cl	P52333	O60674	4.772113295386326	4.826813731587726	0.05470043620139986	Different Family
[O60674, P52333]	CN1CCC(CC1)Nc2c3cc[nH]c3ncc2C(=O)N	P52333	O60674	7.045757490560675	6.508638306165727	0.5371191843949479	Different Family
[O60674, P52333]	CN1CCC(CC1)Nc2ncc(c(n2)NC3CCCN(C3)S(=O)(=O)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.600845666041783	9.964970717797632	0.635874948244151	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	5.840093083188988	6.936741720049544	1.0966486368605564	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.570926330509561	7.414539270491499	0.8436129399819379	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	O60674	6.611916568616351	7.646083769079637	1.034167200463286	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.078048347782763	7.3949105381184195	1.316862190335656	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	6.167912813102729	6.954168685652245	0.7862558725495159	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	P52333	O60674	6.085704453898716	7.399135963690161	1.313431509791445	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	O60674	6.851181485397982	8.18045606445813	1.329274579060149	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.777725850203437	7.758951849328356	0.981225999124919	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.460923901207224	8.958607314841775	1.497683413634551	Different Family
[O60674, P52333]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	O60674	6.666572878847038	8.14206473528057	1.475491856433532	Different Family
[O60674, P52333]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	P52333	O60674	6.674997747834962	8.051587034221399	1.3765892863864364	Different Family
[O60674, P52333]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.080895746093729	5.9215939371891135	0.15930180890461543	Different Family
[O60674, P52333]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)P(=O)(C)C	P52333	O60674	5.5230235342404725	7.980053318321158	2.457029784080685	Different Family
[O60674, P52333]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.859711988188133	8.787812395596042	1.928100407407909	Different Family
[O60674, P52333]	CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3)Nc4nc5c(cccn5n4)c6ccc(cc6)S(=O)(=O)C	P52333	O60674	7.505845405981558	8.744727494896694	1.238882088915136	Different Family
[O60674, P52333]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.23210238398191	8.619788758288394	1.387686374306484	Different Family
[O60674, P52333]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.118615343229427	8.769551078621726	1.6509357353922987	Different Family
[O60674, P52333]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	O60674	6.658367664221946	7.931814138253839	1.2734464740318927	Different Family
[O60674, P52333]	CN1CCN(CC1)Cc2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.174833627743451	8.844663962534938	1.6698303347914871	Different Family
[O60674, P52333]	CN1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	8.88941028970075	9.962573502059376	1.0731632123586259	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cc(cnc2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	6.032873418923587	1.0328299873037796	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cc(nc(n2)n3cnc4c3cncc4)Nc5ccccc5Cl	P52333	O60674	6.882728704344236	6.94692155651658	0.0641928521723445	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cc(nc(n2)n3cnc4c3cncc4)Oc5c(cccc5F)F	P52333	O60674	6.920818753952375	7.167491087293763	0.2466723333413885	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cc(nc(n2)n3cnc4c3cncc4)Oc5ccccc5Cl	P52333	O60674	7.568636235841013	7.769551078621726	0.2009148427807128	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P52333	O60674	6.45717457304082	7.3979400086720375	0.9407654356312172	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P52333	O60674	8.318758762624412	5.978810700930062	2.3399480616943507	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.814769583832438	0.8147261522126303	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	O60674	5.628230441486821	6.63921731012672	1.0109868686398995	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)F)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.0301649069242025	7.5003129173815966	1.470148010457394	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	7.157390760389438	8.58335949266172	1.4259687322722812	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)CCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.183261700737609	6.6615036646925185	0.47824196395490937	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)N(C)Cc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.363552225082471	7.291919189531768	0.9283669644492969	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCC5CCCN5S(=O)(=O)C	P52333	O60674	6.794958120738631	7.9344202852715515	1.1394621645329206	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)N(C)S(=O)(=O)C	P52333	O60674	5.489626596821958	6.839231438138872	1.3496048413169133	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	P52333	O60674	5.5230235342404725	6.581003068844252	1.0579795346037795	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	6.239155490948614	7.450506286784987	1.2113507958363723	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.648648261007199	7.536107011014093	0.8874587500068944	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5OC	P52333	O60674	6.81095909209099	7.911509529817604	1.1005504377266133	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	O60674	7.011485634166334	7.878112014896319	0.8666263807299845	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5	P52333	O60674	5.376962738419986	6.311731495465845	0.9347687570458589	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.288234937518569	7.683400697906139	1.3951657603875702	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	P52333	O60674	5.5157443043029755	6.486037012628005	0.9702927083250295	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	6.2662812525174925	7.149966742310231	0.8836854897927386	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	P52333	O60674	6.3439976793170425	7.655607726314889	1.3116100469978464	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	O60674	6.795880017344075	8.080921907623926	1.2850418902798513	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	7.1028129234198465	7.942714355581785	0.8399014321619385	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)O	P52333	O60674	5.000043431619807	6.246662114767915	1.2466186831481076	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	P52333	O60674	6.098623423024602	7.361011840656318	1.2623884176317164	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	P52333	O60674	6.489709743359797	7.82102305270683	1.331313309347033	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.8704389976909175	7.823619307756729	0.9531803100658118	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	6.375986197387621	7.504039605118295	1.1280534077306736	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C(F)(F)F	P52333	O60674	7.1555228242543185	8.508638306165727	1.3531154819114084	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)CS(=O)(=O)C	P52333	O60674	8.823908740944319	9.154901959985743	0.3309932190414244	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	P52333	O60674	7.924453038607469	9.221848749616356	1.2973957110088872	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)N(C)C	P52333	O60674	7.47755576649368	8.769551078621726	1.291995312128046	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	O60674	6.896469936571625	8.09963287134353	1.203162934771905	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	P52333	O60674	6.761803300620986	7.728623128105926	0.9668198274849393	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	P52333	O60674	7.048662481204082	8.481486060122112	1.43282357891803	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	O60674	6.997833938243493	7.4156687756324695	0.41783483738897687	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	P52333	O60674	5.187153463032929	5.877358230374464	0.6902047673415348	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.5267904830864145	0.5267470514666073	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	P52333	O60674	7.8326826652518236	8.958607314841775	1.125924649589951	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)NS(=O)(=O)C	P52333	O60674	7.1700533040583645	8.55284196865778	1.382788664599416	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.0034883278458215	7.821977505656385	0.8184891778105632	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)NS(=O)(=O)C	P52333	O60674	6.303206914918256	7.721246399047171	1.418039484128915	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	P52333	O60674	6.860435733824151	7.586147397848292	0.725711664024141	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	O60674	5.585026652029182	5.920818753952375	0.3357921019231931	Different Family
[O60674, P52333]	CN1CCN(CC1)c2ccc(cn2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.463365814996181	6.032686081712916	0.5693202667167352	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)N(c3cccc(c3)N4CCN(CC4)C)c5nc6c(cc(cn6n5)F)c7ccc(cc7)S(=O)(=O)C	P52333	O60674	5.669911054251519	6.48932096896779	0.819409914716271	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.261195666921029	7.6217838502501225	1.3605881833290931	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	P52333	O60674	5.187153463032929	6.39936465723774	1.2122111942048113	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	5.589216020353139	6.658328112791482	1.0691120924383428	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.278032836247902	7.1779627519274145	0.8999299156795129	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	P52333	O60674	6.733533104559759	7.579714115058082	0.8461810104983236	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5	P52333	O60674	5.5230235342404725	6.189243417992493	0.6662198837520208	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.189256847634621	7.112495225764622	0.9232383781300015	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	P52333	O60674	5.083598696396124	5.8819867281131595	0.7983880317170353	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	P52333	O60674	5.497553760553582	6.343738848291659	0.8461850877380774	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	P52333	O60674	6.213248577854439	7.5376020021010435	1.3243534242466044	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	5.984598326297051	7.219970872662661	1.2353725463656104	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	P52333	O60674	5.775368539535694	7.002089632653257	1.226721093117563	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	P52333	O60674	5.754748974705894	7.570409197776699	1.8156602230708048	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C(=O)N	P52333	O60674	5.627121122448567	6.845332622377424	1.2182114999288576	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Oc5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.783367053353646	0.7833236217338388	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	P52333	O60674	5.548545166686619	6.800519085137644	1.251973918451025	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	P52333	O60674	6.284125280310729	7.560790810129377	1.276665529818648	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	P52333	O60674	7.585026652029182	9.221848749616356	1.6368220975871743	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	P52333	O60674	6.607197562916336	8.226213555018806	1.6190159921024696	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	P52333	O60674	6.684659523372712	8.193820026016112	1.5091605026434003	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5OC	P52333	O60674	6.65816994307949	7.5718652059712115	0.9136952628917214	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	P52333	O60674	5.000043431619807	5.602703223270315	0.6026597916505079	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	P52333	O60674	6.815507311471577	8.248720896016657	1.4332135845450802	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	P52333	O60674	7.422508200162775	9.096910013008056	1.6744018128452813	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	6.913996294381618	8.55284196865778	1.6388456742761628	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	5.000043431619807	6.512720183556931	1.512676751937124	Different Family
[O60674, P52333]	CN1CCN(CC1)c2cccn3c2nc(n3)Nc4ccc(cc4)OC	P52333	O60674	5.000043431619807	6.355955507185251	1.3559120755654437	Different Family
[O60674, P52333]	CN1CCN(CC1)c2nc3c(cccn3n2)NCc4cccc(c4)[N+](=O)[O-]	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.399789693590672	7.938170692705301	1.5383809991146284	Different Family
[O60674, P52333]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	P52333	O60674	6.95951633579373	8.036684488613888	1.0771681528201578	Different Family
[O60674, P52333]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.513753763426944	7.892111974817201	1.3783582113902568	Different Family
[O60674, P52333]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.110362199593332	9.136677139879545	2.0263149402862126	Different Family
[O60674, P52333]	CN1c2ccc(cc2CC1=O)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	P52333	O60674	6.542632903465209	7.561932549546506	1.019299646081297	Different Family
[O60674, P52333]	CNC(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	6.423658649794207	7.347753658996677	0.9240950092024693	Different Family
[O60674, P52333]	CNC(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccccc4OC	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CNC(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccccc4OC	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	O60674	5.872895201635193	7.508638306165727	1.6357431045305342	Different Family
[O60674, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	P52333	O60674	6.437707135543525	7.920818753952375	1.4831116184088495	Different Family
[O60674, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	P52333	O60674	6.115204636051019	7.236572006437063	1.1213673703860438	Different Family
[O60674, P52333]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	P52333	O60674	5.721246399047171	5.4089353929735005	0.3123110060736707	Different Family
[O60674, P52333]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	P52333	O60674	5.823908740944319	5.508638306165727	0.31527043477859173	Different Family
[O60674, P52333]	CNS(=O)(=O)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P52333	O60674	7.042871802323187	7.605548319173784	0.5626765168505967	Different Family
[O60674, P52333]	CNc1c(cnc(n1)Nc2cnn(c2)C(CC(=O)N)C3CCCCC3)C(F)(F)F	P52333	O60674	7.4089353929735005	7.008773924307505	0.40016146866599556	Different Family
[O60674, P52333]	CNc1c2c(c3cc(n(c3n1)CC(CO)O)C(=O)N(C)C4CC4)n(cn2)C	P52333	O60674	5.236572006437063	6.346787486224656	1.110215479787593	Different Family
[O60674, P52333]	CNc1c2c(c3cc(n(c3n1)CC(CO)O)C(=O)NC4CC4)n(cn2)C	P52333	O60674	5.5376020021010435	6.2441251443275085	0.7065231422264651	Different Family
[O60674, P52333]	COC(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.565816517261343	10.282607001496785	0.7167904842354424	Different Family
[O60674, P52333]	COC(=O)N1CCC(CC1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.504733255612189	10.327902142064282	0.823168886452093	Different Family
[O60674, P52333]	COC(=O)N1CCCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.307064997468862	10.97469413473523	0.6676291372663687	Different Family
[O60674, P52333]	COC1CCN(CC1)c2ncc(c(n2)NC3CCCN(C3)S(=O)(=O)C)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.521577812259919	9.97183558057553	0.5497422316843892	Different Family
[O60674, P52333]	COCCNc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.970210529168144	10.11747546204512	0.8527350671230245	Different Family
[O60674, P52333]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	O60674	6.875104695011507	7.559878396812196	0.6847737018006885	Different Family
[O60674, P52333]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	COc1c(cc(cn1)C(F)(F)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	6.240830936157747	6.877096350826676	0.6362654146689293	Different Family
[O60674, P52333]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	5.628656863804593	6.423601054875761	0.7949441910711688	Different Family
[O60674, P52333]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	P52333	O60674	5.870938807630032	6.716857136696758	0.845918329066726	Different Family
[O60674, P52333]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	O60674	7.359121221298381	8.154281982033341	0.7951607607349596	Different Family
[O60674, P52333]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	O60674	7.277695213125672	8.130768280269024	0.8530730671433515	Different Family
[O60674, P52333]	COc1cc(ccc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)F	P52333	O60674	6.695121882301721	7.181378273624111	0.4862563913223905	Different Family
[O60674, P52333]	COc1ccc(c(c1)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	O60674	5.161150909262744	4.928117992693875	0.23303291656886937	Different Family
[O60674, P52333]	COc1ccc(c(c1)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	7.236122968504345	8.043831569524636	0.8077086010202912	Different Family
[O60674, P52333]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P52333	O60674	5.211831628858833	4.882728704344236	0.3291029245145971	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)C4=CCN(CC4)S(=O)(=O)C	P52333	O60674	7.167491087293763	9.0	1.8325089127062366	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)N4CCN(CC4)S(=O)(=O)C	P52333	O60674	5.822030863990624	7.218963061378868	1.396932197388244	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)N4CCS(=O)(=O)CC4	P52333	O60674	5.187153463032929	6.245651664288981	1.058498201256052	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)NC4CCN(CC4)S(=O)(=O)C	P52333	O60674	5.000043431619807	6.42608455957845	1.4260411279586425	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccc(cc4)S(=O)(=O)C	P52333	O60674	5.187153463032929	6.32771737521108	1.140563912178151	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccccc4S(=O)(=O)C	P52333	O60674	6.951946826884391	7.892790030352131	0.9408432034677405	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4c[nH]nc4	P52333	O60674	6.292174431667768	7.486782399932061	1.1946079682642923	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4cnn(c4)S(=O)(=O)C	P52333	O60674	7.249491605148654	8.522878745280337	1.2733871401316836	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	O60674	7.5968794788241825	9.0	1.4031205211758175	Different Family
[O60674, P52333]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)S(=O)(=O)C	P52333	O60674	7.1944991418416	8.721246399047171	1.526747257205571	Different Family
[O60674, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCCNC4	P52333	O60674	5.2403321553103694	5.517126416391246	0.2767942610808767	Different Family
[O60674, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	O60674	5.94692155651658	5.838631997765025	0.10828955875155533	Different Family
[O60674, P52333]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)OCC4CCNCC4	P52333	O60674	5.555955204081924	4.995678626217358	0.560276577864566	Different Family
[O60674, P52333]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P52333	O60674	6.277366077466188	6.860120913598763	0.5827548361325752	Different Family
[O60674, P52333]	COc1ccc(cc1OC)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	O60674	5.920818753952375	5.6439741428068775	0.2768446111454974	Different Family
[O60674, P52333]	COc1ccc(cc1c2c[nH]c3c2c(ncn3)c4ccccc4)CC(=O)OC	P52333	O60674	8.508638306165727	7.031517051446065	1.4771212547196617	Different Family
[O60674, P52333]	COc1ccc(cc1c2c[nH]c3c2c(ncn3)c4ccccc4)F	P52333	O60674	8.853871964321762	7.1487416512809245	1.7051303130408373	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCSC)C(F)(F)F	P52333	O60674	6.386655100765256	7.573651426212492	1.186996325447236	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	P52333	O60674	6.454185884038717	7.6311554931741785	1.1769696091354618	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)(F)F	P52333	O60674	6.130539455632461	7.097616315567529	0.9670768599350676	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)C(F)(F)F	P52333	O60674	6.09373501134159	7.132296866729902	1.0385618553883127	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5)C(F)(F)F	P52333	O60674	5.982265674105777	7.073143291050307	1.09087761694453	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	P52333	O60674	6.875691447384348	7.894830572000668	1.01913912461632	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNC5)C(F)(F)F	P52333	O60674	6.1707090953442645	7.37809703910877	1.2073879437645054	Different Family
[O60674, P52333]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5)C(F)(F)F	P52333	O60674	6.151244513575922	7.5388017113775065	1.3875571978015842	Different Family
[O60674, P52333]	COc1ccc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	6.285754088982106	7.872895201635193	1.5871411126530868	Different Family
[O60674, P52333]	COc1cccc(c1)Nc2nc3cccc(n3n2)c4cccc(c4)S(=O)(=O)C	P52333	O60674	6.705533773838407	7.82102305270683	1.1154892788684236	Different Family
[O60674, P52333]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	O60674	7.180456064458132	8.174360993000928	0.9939049285427961	Different Family
[O60674, P52333]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	P52333	O60674	7.229147988357856	7.495699914119042	0.2665519257611857	Different Family
[O60674, P52333]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	6.66023065623127	8.119186407719209	1.458955751487939	Different Family
[O60674, P52333]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CNC5	P52333	O60674	6.796912693527553	8.178486471595226	1.3815737780676738	Different Family
[O60674, P52333]	COc1cccc(c1F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	6.736956016686834	7.516412703031106	0.7794566863442718	Different Family
[O60674, P52333]	COc1cccc(c1OC)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	6.733603650811407	7.2362725962343015	0.5026689454228945	Different Family
[O60674, P52333]	COc1ccccc1Nc2nc3c(cccn3n2)c4ccc(cc4)C(F)(F)F	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	COc1ccccc1Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.8354458903858735	0.8354024587660662	Different Family
[O60674, P52333]	COc1ccccc1Nc2nc3c(cccn3n2)c4cccc(c4)C(F)(F)F	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	COc1ccccc1Nc2nc3c(cccn3n2)c4ccccc4	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	COc1ccccc1Nc2nc3cccc(n3n2)c4cccc(c4)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.916891720805265	0.9168482891854577	Different Family
[O60674, P52333]	COc1ccccc1c2c[nH]c3c2c(ncn3)c4ccccc4	P52333	O60674	8.468521082957745	6.73754891026957	1.7309721726881744	Different Family
[O60674, P52333]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	7.054039296422431	7.698970004336019	0.6449307079135878	Different Family
[O60674, P52333]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	P52333	O60674	6.723423318301445	7.750557038557417	1.0271337202559723	Different Family
[O60674, P52333]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccccc4	P52333	O60674	6.078833949362261	6.866461091629782	0.787627142267521	Different Family
[O60674, P52333]	COc1cnc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	P52333	O60674	6.4070686038705515	7.132237975349799	0.7251693714792475	Different Family
[O60674, P52333]	COc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.566710314804974	10.1444808443322	0.42222947047277337	Different Family
[O60674, P52333]	CS(=O)(=O)CCN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	P52333	O60674	7.56336036830734	9.337242168318426	1.773881800011086	Different Family
[O60674, P52333]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5Cl)C(F)(F)F	P52333	O60674	6.4442648652508785	7.773657912836369	1.3293930475854907	Different Family
[O60674, P52333]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	P52333	O60674	6.651773044294752	7.605023280445436	0.9532502361506836	Different Family
[O60674, P52333]	CS(=O)(=O)N1CC(CC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4)C(F)(F)F	P52333	O60674	9.407823242604133	9.25500332596144	0.15281991664269334	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCC(C(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4)O	P52333	O60674	11.11833009232794	10.69680394257951	0.42152614974842884	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.863115439806542	10.747642266727055	0.11547317307948646	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCC(CC1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	5.96537154337468	6.6307841425898575	0.6654125992151778	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCC(CC1)Nc2c3cc[nH]c3ncc2C(=O)N	P52333	O60674	6.823908740944319	6.721246399047171	0.10266234189714751	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P52333	O60674	6.1487416512809245	6.853871964321762	0.7051303130408373	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P52333	O60674	7.678273661756906	7.1572186944208855	0.5210549673360205	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)c(c[nH]4)C#N	P52333	O60674	10.760700520873108	9.907981529247204	0.8527189916259044	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)c(c[nH]4)C5CC5	P52333	O60674	10.667561540084394	10.415668775632469	0.25189276445192554	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)c(c[nH]4)Cl	P52333	O60674	11.111820506081676	10.400116927926312	0.7117035781553636	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cn[nH]4	P52333	O60674	9.604848408495457	9.06620911585658	0.5386392926388766	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cccn2)c3cnc4cc[nH]c4n3	P52333	O60674	8.522878745280337	8.910094888560602	0.38721614328026455	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)C#N)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.793984123236655	9.20859008433284	0.5853940389038144	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)Cl)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.280585840297407	9.881404634776239	0.39918120552116854	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CC(C3)C#N)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.90274269030658	10.314258261397736	0.5884844289088438	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCC(CC3)CC(=O)N)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.275724130399212	10.655607726314889	0.6201164040843228	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCC(CC3)CC(=O)O)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.631527161559639	9.946537395074545	0.6849897664850939	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCN(CC3)c4ccccn4)c5cnc6c(n5)cc[nH]6	P52333	O60674	10.187956102069773	9.756713853916553	0.4312422481532199	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)N3CCS(=O)(=O)CC3)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.302509112828943	9.59328954139021	0.7092195714387337	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)NC3CCC(CC3)C#N)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.866780543267506	9.837137006678073	1.0296435365894325	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)NCCN)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.297741836837906	9.778585762157661	0.5191560746802448	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)NCCO)c3cnc4c(n3)cc[nH]4	P52333	O60674	11.094473951564952	10.175223537524454	0.9192504140404978	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(C1)Nc2c(cnc(n2)Nc3ccncc3)c4cnc5c(n4)cc[nH]5	P52333	O60674	9.81502480930174	9.19524739784954	0.6197774114521994	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCC(CC1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.404724288197901	11.050609993355087	0.6458857051571858	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCCCC(C1)Nc2c(cccn2)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.005770859182302	10.679853713888946	0.6740828547066435	Different Family
[O60674, P52333]	CS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N	P52333	O60674	9.096910013008056	8.494850021680094	0.6020599913279625	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)C(=C)n2c(nc(n2)NC(=O)Nc3ccc(cc3)N4CCNCC4)C=C	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)Oc2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2ccc3nc(nn3c2)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	O60674	7.434152181326482	8.958607314841775	1.5244551335152927	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	O60674	7.583692412940118	9.18045606445813	1.596763651518013	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	7.752026733638194	9.154901959985743	1.4028752263475495	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	7.1487416512809245	8.67778070526608	1.529039053985156	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)S(=O)(=O)C	P52333	O60674	7.1555228242543185	8.853871964321762	1.6983491400674433	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCOCC5	P52333	O60674	7.281830594608693	9.022276394711152	1.7404458001024592	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCS(=O)(=O)CC5	P52333	O60674	7.375511637486551	9.259637310505756	1.8841256730192049	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)S(=O)(=O)C	P52333	O60674	6.143331516388465	8.031517051446064	1.8881855350575991	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	O60674	7.1700533040583645	8.657577319177793	1.4875240151194289	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	P52333	O60674	7.518987579043427	9.1249387366083	1.6059511575648733	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCCCC5	P52333	O60674	7.5718652059712115	9.221848749616356	1.6499835436451447	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	7.394694953858891	9.0	1.6053050461411091	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5	P52333	O60674	7.414539270491499	8.886056647693163	1.471517377201664	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	P52333	O60674	5.000043431619807	6.974284616098659	1.9742411844788519	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCC(CC5)N6CCOCC6	P52333	O60674	7.3663295939485565	8.809668301829708	1.4433387078811517	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5)CC(=O)N	P52333	O60674	7.694648630553377	9.387216143280265	1.692567512726888	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5O)CC(=O)N	P52333	O60674	7.878440155812499	9.259637310505756	1.3811971546932567	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5O	P52333	O60674	7.225191169689294	8.844663962534938	1.6194727928456434	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)CN5CCOCC5	P52333	O60674	7.8297382846050425	9.221848749616356	1.3921104650113136	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CC(=O)N	P52333	O60674	7.543633966870957	9.187086643357144	1.643452676486187	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCCF	P52333	O60674	6.783649330860804	8.30715308072277	1.5235037498619661	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCO	P52333	O60674	6.773735288104306	8.625251653989896	1.8515163658855895	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCNCC5	P52333	O60674	7.279344643448276	9.013228265733755	1.7338836222854788	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)C5CCNCC5	P52333	O60674	7.224972399901155	9.148741651280925	1.9237692513797704	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	P52333	O60674	6.322721629560502	7.856985199745905	1.534263570185403	Different Family
[O60674, P52333]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	P52333	O60674	6.976336081802207	8.309803919971486	1.3334678381692795	Different Family
[O60674, P52333]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	7.279014255846261	8.494850021680094	1.215835765833833	Different Family
[O60674, P52333]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	6.381742655159599	8.070581074285707	1.6888384191261085	Different Family
[O60674, P52333]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	6.952725132615821	8.522878745280337	1.5701536126645168	Different Family
[O60674, P52333]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCOCC5	P52333	O60674	6.73754891026957	8.2518119729938	1.514263062724229	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	6.7126910484300275	7.82131076022441	1.1086197117943826	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	6.620984713306517	7.843148098929989	1.222163385623472	Different Family
[O60674, P52333]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccccc4S(=O)(=O)C	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	CSc1ncc(c(n1)NC2CCCN(C2)C(=O)CC#N)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.073400346092972	9.651695136951838	0.578294790858866	Different Family
[O60674, P52333]	CSc1ncc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.324496615272043	9.856985199745905	0.46751141552613795	Different Family
[O60674, P52333]	Cc1c(c(n(n1)C)C)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P52333	O60674	4.4718549217468935	5.513144644723057	1.0412897229761633	Different Family
[O60674, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P52333	O60674	7.107237765384183	3.95116991347165	3.156067851912533	Different Family
[O60674, P52333]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P52333	O60674	6.320481256304211	3.7894139750948437	2.531067281209367	Different Family
[O60674, P52333]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	P52333	O60674	6.378615971518347	3.8594919569618202	2.5191240145565263	Different Family
[O60674, P52333]	Cc1c[nH]c2c1nc(cn2)c3cccnc3NC4CCCN(C4)S(=O)(=O)C	P52333	O60674	10.929962133392245	10.435333935747911	0.4946281976443334	Different Family
[O60674, P52333]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P52333	O60674	5.101274818410507	5.940108206919151	0.8388333885086441	Different Family
[O60674, P52333]	Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(c3)CN4CCC(C4)O)C)C	P52333	O60674	6.457050151185821	3.938170692705301	2.51887945848052	Different Family
[O60674, P52333]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCN(CC4)C)OC	P52333	O60674	5.180456064458132	5.568636235841013	0.3881801713828814	Different Family
[O60674, P52333]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)OC	P52333	O60674	5.812479279163537	5.539102157243452	0.27337712192008556	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCN(CC3)C)F)NC(C)c4ccc(cn4)F	P52333	O60674	7.823908740944319	7.769551078621726	0.05435766232259276	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCN(CC3)S(=O)(=O)C)F)NC(C)c4ccc(cn4)F	P52333	O60674	7.698970004336019	8.522878745280337	0.8239087409443187	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCNCC3)F)NC(C)c4ccc(cn4)F	P52333	O60674	7.522878745280337	8.397940008672037	0.8750612633917001	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCOCC3)Cl)NC(C)c4ccc(cn4)F	P52333	O60674	6.581698708680254	8.221848749616356	1.6401500409361018	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCOCC3)F)NC(C)c4ccc(cn4)F	P52333	O60674	6.581698708680254	8.221848749616356	1.6401500409361018	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCOCC3)F)NC(C)c4ncc(cn4)F	P52333	O60674	6.640164517660112	8.522878745280337	1.8827142276202258	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)N3CCS(=O)(=O)CC3)F)NC(C)c4ccc(cn4)F	P52333	O60674	8.397940008672037	8.522878745280337	0.1249387366082999	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)OC(C)c3c(cc(cn3)F)F)F)N4CCOCC4	P52333	O60674	7.346787486224656	8.397940008672037	1.0511525224473814	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(c(c(n2)OC(C)c3ccc(cn3)F)F)N4CCOCC4	P52333	O60674	7.060480747381382	8.397940008672037	1.3374592612906557	Different Family
[O60674, P52333]	Cc1cc(n[nH]1)Nc2nc(cc(n2)N3CCOCC3)NC(C)c4ncc(cn4)F	P52333	O60674	7.022276394711152	8.301029995663981	1.2787536009528289	Different Family
[O60674, P52333]	Cc1cc(on1)CCC2(CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4)O	P52333	O60674	6.543633966870957	7.335358024443875	0.7917240575729174	Different Family
[O60674, P52333]	Cc1cc(sn1)NC(=O)N2CCC(C(C2)N(C)c3c4cc[nH]c4ncn3)C	P52333	O60674	7.585026652029182	6.292429823902063	1.2925968281271185	Different Family
[O60674, P52333]	Cc1ccc(c(c1)OCC(C)C)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	P52333	O60674	5.000043431619807	5.553484579260306	0.5534411476404983	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)C(=O)C)c3cnc4c(n3)c(c[nH]4)Cl	P52333	O60674	10.162537828514006	9.83386602969489	0.3286717988191157	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)C(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.21645371772965	10.05749589383192	0.1589578238977296	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)S(=O)(=O)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.71287037928089	10.33348201944512	0.37938835983577057	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)S(=O)(=O)CC(C)(C)C)c3cnc4c(n3)cc[nH]4	P52333	O60674	10.775725985705742	9.873543886568196	0.902182099137546	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)S(=O)(=O)CC3CC3)c4cnc5c(n4)c(c[nH]5)Cl	P52333	O60674	10.454940415305996	9.811634073936851	0.6433063413691453	Different Family
[O60674, P52333]	Cc1ccc(c(n1)NC2CCCN(C2)S(=O)(=O)CC3CC3)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.40044440901402	9.777543663320753	0.6229007456932667	Different Family
[O60674, P52333]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	O60674	6.2636034977233574	7.568636235841013	1.3050327381176556	Different Family
[O60674, P52333]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	5.638272163982407	5.585026652029182	0.05324551195322513	Different Family
[O60674, P52333]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCN(CC6)C(=O)OC(C)(C)C	P52333	O60674	5.000043431619807	5.772072180695213	0.7720287490754059	Different Family
[O60674, P52333]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCNCC6	P52333	O60674	7.083230315716864	8.393618634889394	1.3103883191725307	Different Family
[O60674, P52333]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P52333	O60674	7.2403321553103694	6.27083521030723	0.9694969450031392	Different Family
[O60674, P52333]	Cc1ccc(nc1)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.5934598195660445	7.294136287716081	0.7006764681500366	Different Family
[O60674, P52333]	Cc1ccc(nc1C)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	7.051098239029786	7.863279432843593	0.8121811938138075	Different Family
[O60674, P52333]	Cc1ccc(nn1)CC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.123205023799299	7.071092309756048	0.9478872859567486	Different Family
[O60674, P52333]	Cc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	O60674	6.552841968657781	6.3872161432802645	0.16562582537751602	Different Family
[O60674, P52333]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P52333	O60674	5.920818753952375	6.619788758288394	0.6989700043360187	Different Family
[O60674, P52333]	Cc1cccc(n1)CC2CCCN2S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.492144128304169	7.614393726401688	1.1222495980975191	Different Family
[O60674, P52333]	Cc1ccccc1Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P52333	O60674	5.860120913598763	5.634512015109101	0.22560889848966248	Different Family
[O60674, P52333]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	P52333	O60674	7.086186147616283	5.769551078621726	1.3166350689945574	Different Family
[O60674, P52333]	Cc1cccn2c1nc(n2)Nc3ccc(cc3)S(=O)(=O)C	P52333	O60674	5.000043431619807	5.58114872970792	0.5811052980881124	Different Family
[O60674, P52333]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	P52333	O60674	6.0	8.522878745280337	2.5228787452803374	Different Family
[O60674, P52333]	Cc1cnc(s1)Nc2nc(c(c(n2)N3CCOCC3)F)NC(C)c4ncc(cn4)F	P52333	O60674	4.785156151952302	7.698970004336019	2.9138138523837167	Different Family
[O60674, P52333]	Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC(C)c4ncc(cn4)F	P52333	O60674	5.405607449624573	8.397940008672037	2.9923325590474645	Different Family
[O60674, P52333]	Cc1nnc(o1)C2CCCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P52333	O60674	6.6777807052660805	7.709965388637482	1.0321846833714012	Different Family
[O60674, P52333]	Cn1c2=c3cc[nH]c3=N4(CCCCC(C4)n5c6c7cc[nH]c7ncc6[nH]c5=O)C=c2[nH]c1=O	P52333	O60674	7.657577319177793	7.638272163982407	0.019305155195386448	Different Family
[O60674, P52333]	Cn1c2cc(ccc2c(n1)c3cnc4c(n3)c(c[nH]4)C(=O)NC(C5CC5)C(=O)N6CC(C6)C#N)Cl	P52333	O60674	9.522878745280337	8.958607314841775	0.5642714304385628	Different Family
[O60674, P52333]	Cn1c2cccc(c2cn1)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	P52333	O60674	6.6441655041150645	7.781464494783473	1.1372989906684081	Different Family
[O60674, P52333]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P52333	O60674	6.747146969020107	5.785951320588058	0.9611956484320485	Different Family
[O60674, P52333]	Cn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P52333	O60674	9.221848749616356	6.97061622231479	2.251232527301566	Different Family
[O60674, P52333]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	P52333	O60674	7.4089353929735005	6.040958607678906	1.3679767852945943	Different Family
[O60674, P52333]	Cn1ccc2c1nc(cn2)c3cccnc3NC4CCCN(C4)S(=O)(=O)C	P52333	O60674	8.487449007095789	8.707743928643524	0.220294921547735	Different Family
[O60674, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	P52333	O60674	9.148741651280925	8.301029995663981	0.8477116556169442	Different Family
[O60674, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)C(=O)CC#N	P52333	O60674	7.337242168318426	6.698970004336019	0.6382721639824069	Different Family
[O60674, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)c4cnc(cn4)C#N	P52333	O60674	8.443697499232712	7.3872161432802645	1.0564813559524477	Different Family
[O60674, P52333]	c1c[nH]c2c1c(ncn2)N3CCC4(C3)C(CN4C(=O)CC#N)(F)F	P52333	O60674	8.106624288927218	8.769551078621726	0.6629267896945077	Different Family
[O60674, P52333]	c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CCCN4C(=O)CC#N	P52333	O60674	8.045221985379413	8.327902142064282	0.2826801566848687	Different Family
[O60674, P52333]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	P52333	O60674	7.455931955649724	5.610656688747922	1.845275266901802	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCC4	P52333	O60674	6.7447274948966935	7.013228265733755	0.26850077083706125	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCCC4	P52333	O60674	7.267606240177032	7.366531544420414	0.09892530424338197	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCN(C4)C(=O)CC#N	P52333	O60674	7.552841968657781	7.769551078621726	0.21670910996394532	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCNCC4	P52333	O60674	5.920818753952375	5.886056647693163	0.034762106259211834	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCOCC4	P52333	O60674	6.568636235841013	6.301029995663981	0.26760624017703183	Different Family
[O60674, P52333]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3CC4CCCCC4	P52333	O60674	7.221848749616356	7.055517327849832	0.16633142176652438	Different Family
[O60674, P52333]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCCC3	P52333	O60674	6.5718652059712115	7.327902142064283	0.7560369360930714	Different Family
[O60674, P52333]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCN(C3)C(=O)CC#N	P52333	O60674	6.158015195409886	6.7423214251308154	0.5843062297209292	Different Family
[O60674, P52333]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCN(C3)CC(F)(F)F	P52333	O60674	7.5376020021010435	8.154901959985743	0.6172999578846996	Different Family
[O60674, P52333]	c1cc([nH]c1)C=C2c3cc(ccc3NC2=O)c4cccnc4	P52333	O60674	7.42021640338319	6.221848749616356	1.1983676537668337	Different Family
[O60674, P52333]	c1cc(c(=O)[nH]c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	P52333	O60674	6.362400209796413	6.649674436003297	0.2872742262068835	Different Family
[O60674, P52333]	c1cc(c(c(c1)Cl)Cn2c3c(cnc(n3)n4cnc5c4cc(cc5)C#N)[nH]c2=O)Cl	P52333	O60674	6.657577319177793	5.809668301829708	0.8479090173480852	Different Family
[O60674, P52333]	c1cc(c(c(c1)Cl)c2[nH]c3c4cc[nH]c(=O)c4c5cc(ccc5c3n2)F)F	P52333	O60674	9.221848749616356	9.698970004336019	0.4771212547196626	Different Family
[O60674, P52333]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	P52333	O60674	5.8326826652518236	5.675717544702307	0.1569651205495166	Different Family
[O60674, P52333]	c1cc(c(c(c1)F)Cn2c3c(cnc(n3)n4cnc5c4cc(cc5)C#N)[nH]c2=O)F	P52333	O60674	8.221848749616356	7.552841968657781	0.6690067809585756	Different Family
[O60674, P52333]	c1cc(c(c(c1)F)Cn2c3c(cnc(n3)n4cnc5c4cc(cc5)F)[nH]c2=O)F	P52333	O60674	7.154901959985743	6.494850021680094	0.6600519383056493	Different Family
[O60674, P52333]	c1cc(c(c(c1)F)F)Cn2c3c(cnc(n3)n4cnc5c4cc(cc5)C#N)[nH]c2=O	P52333	O60674	7.769551078621726	6.568636235841013	1.2009148427807128	Different Family
[O60674, P52333]	c1cc(c(c(c1)F)F)Cn2c3c(cnc(n3)n4cnc5c4cc(cc5)F)[nH]c2=O	P52333	O60674	6.966576244513051	6.0	0.9665762445130506	Different Family
[O60674, P52333]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	P52333	O60674	5.694433686484696	7.0655015487564325	1.3710678622717367	Different Family
[O60674, P52333]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	5.721246399047171	5.327902142064283	0.3933442569828882	Different Family
[O60674, P52333]	c1cc(c(nc1)NC2CCCN(C2)C(CC#N)C(F)(F)F)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.491874463916801	9.637329070274333	0.14545460635753216	Different Family
[O60674, P52333]	c1cc(c(nc1)NC2CCCN(C2)C3(COC3)CC#N)c4cnc5c(n4)cc[nH]5	P52333	O60674	10.000173752545587	9.66054855869356	0.3396251938520276	Different Family
[O60674, P52333]	c1cc(c(nc1)NC2CCCN(C2)CC(F)(F)F)c3cnc4c(n3)cc[nH]4	P52333	O60674	9.686554629573585	10.455931955649724	0.769377326076139	Different Family
[O60674, P52333]	c1cc(c(nc1)NC2CCCN(C2)S(=O)(=O)CC3CC3)c4cnc5c(n4)cc[nH]5	P52333	O60674	11.126679398184601	10.384049948343598	0.7426294498410027	Different Family
[O60674, P52333]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	P52333	O60674	5.468521082957745	5.1487416512809245	0.3197794316768201	Different Family
[O60674, P52333]	c1cc(c2c(c1)OC(O2)(F)F)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	P52333	O60674	6.182196726034433	7.360413913326574	1.178217187292141	Different Family
[O60674, P52333]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	P52333	O60674	6.943095148663527	6.349692476868063	0.5934026717954639	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C(F)(F)F)O	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)C#N	P52333	O60674	6.603103550857476	8.23582386760967	1.6327203167521933	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)F	P52333	O60674	6.598444381737107	8.090443970758825	1.4919995890217184	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5cnn(c5)c6ccc(cc6)F	P52333	O60674	6.921579435086	8.67366413907125	1.7520847039852496	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)N4CCOCC4)c5ccncc5	P52333	O60674	6.758702612890007	8.259637310505756	1.5009346976157492	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)OCCN4CCCC4)c5ccncc5	P52333	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5F)C(F)(F)F	P52333	O60674	6.862645888629268	8.11690664142431	1.2542607527950418	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)(F)F	P52333	O60674	5.541978909225063	6.589340843308633	1.04736193408357	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)F	P52333	O60674	5.000043431619807	6.692290076595193	1.692246644975386	Different Family
[O60674, P52333]	c1cc(c2nc(nn2c1)Nc3cnn(c3)CCN4CCCC4)c5ccc(cc5)C(F)(F)F	P52333	O60674	6.712466988949278	8.040958607678906	1.328491618729628	Different Family
[O60674, P52333]	c1cc(cc(c1)C#N)CN2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	7.6020599913279625	7.337242168318426	0.2648178230095368	Different Family
[O60674, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	O60674	5.142667503568732	5.958607314841775	0.8159398112730427	Different Family
[O60674, P52333]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	O60674	5.903089986991944	5.6020599913279625	0.30102999566398125	Different Family
[O60674, P52333]	c1cc(cc(c1)[N+](=O)[O-])CNc2cccn3c2nc(n3)N4CCOCC4	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	c1cc(ccc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	8.468521082957745	7.309803919971486	1.1587171629862585	Different Family
[O60674, P52333]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	5.721246399047171	5.585026652029182	0.13621974701798933	Different Family
[O60674, P52333]	c1cc(ccc1CNc2nc(c3c(n2)n(cn3)CCOS(=O)(=O)N)Nc4ccc(cc4)F)C5CCCCC5	P52333	O60674	4.978810700930062	4.779891911959945	0.19891878897011672	Different Family
[O60674, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P52333	O60674	5.4089353929735005	6.562249437179612	1.1533140442061116	Different Family
[O60674, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P52333	O60674	4.841637507904751	6.040481623027001	1.1988441151222506	Different Family
[O60674, P52333]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P52333	O60674	6.106238237942057	7.214670164989233	1.1084319270471763	Different Family
[O60674, P52333]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P52333	O60674	4.928117992693875	5.1791420105603	0.2510240178664249	Different Family
[O60674, P52333]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	P52333	O60674	4.669586226650809	5.430626090384954	0.7610398637341449	Different Family
[O60674, P52333]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P52333	O60674	4.97469413473523	6.301029995663981	1.3263358609287517	Different Family
[O60674, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	P52333	O60674	5.6777807052660805	5.318758762624412	0.3590219426416681	Different Family
[O60674, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	P52333	O60674	5.619788758288394	5.886056647693163	0.2662678894047694	Different Family
[O60674, P52333]	c1cc(cnc1)CNc2cccn3c2nc(n3)N4CCC(CC4)N	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	c1cc(cnc1)CNc2cccn3c2nc(n3)NCCN4CCOCC4	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	c1cc(cnc1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	5.553896411806073	6.243607347429733	0.6897109356236601	Different Family
[O60674, P52333]	c1cc(cnc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	P52333	O60674	5.912502527595736	7.586700235918748	1.6741977083230122	Different Family
[O60674, P52333]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCC(CC5)(F)F	P52333	O60674	6.710857164067667	7.809388202186395	1.098531038118728	Different Family
[O60674, P52333]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	P52333	O60674	5.546223140309558	6.987595234745877	1.4413720944363186	Different Family
[O60674, P52333]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	9.14621491195103	8.132200550150909	1.0140143618001218	Different Family
[O60674, P52333]	c1cc(ncc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	8.886056647693163	7.7447274948966935	1.1413291527964695	Different Family
[O60674, P52333]	c1cc(ncc1C(=O)N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	8.2839966563652	7.3872161432802645	0.896780513084936	Different Family
[O60674, P52333]	c1cc(ncc1C(F)(F)F)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	7.6020599913279625	6.431798275933005	1.1702617153949575	Different Family
[O60674, P52333]	c1cc(ncc1CO)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	8.036212172654444	7.0	1.0362121726544444	Different Family
[O60674, P52333]	c1cc(nnc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	8.920818753952375	7.920818753952375	1.0	Different Family
[O60674, P52333]	c1cc2c(c(c1)F)OCCC2n3c4c(cnc(n4)n5cnc6c5cc(cc6)C#N)[nH]c3=O	P52333	O60674	9.0	8.301029995663981	0.6989700043360187	Different Family
[O60674, P52333]	c1cc2c(c(c1)F)OCCC2n3c4c(cnc(n4)n5cnc6c5cc(cc6)Cl)[nH]c3=O	P52333	O60674	7.823908740944319	7.251811972993799	0.5720967679505193	Different Family
[O60674, P52333]	c1cc2c(c(c1)F)OCCC2n3c4c(cnc(n4)n5cnc6c5cc(cc6)F)[nH]c3=O	P52333	O60674	8.522878745280337	7.585026652029182	0.9378520932511556	Different Family
[O60674, P52333]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	P52333	O60674	7.2441251443275085	6.6020599913279625	0.642065152999546	Different Family
[O60674, P52333]	c1cc2c(cc1C#N)n(cn2)c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	8.154901959985743	6.327902142064283	1.8269998179214602	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	P52333	O60674	4.906578314837765	4.732828271596986	0.17375004324077903	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	P52333	O60674	4.844663962534939	4.5638373529592435	0.28082660957569505	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	P52333	O60674	5.823908740944319	5.657577319177793	0.16633142176652527	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	P52333	O60674	4.686132779630847	4.527243550682788	0.158889228948059	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	P52333	O60674	5.6020599913279625	5.3872161432802645	0.21484384804769796	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	P52333	O60674	5.958607314841775	5.795880017344075	0.16272729749769965	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	P52333	O60674	5.823908740944319	5.5376020021010435	0.2863067388432752	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	P52333	O60674	5.5376020021010435	5.6020599913279625	0.06445798922691903	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	P52333	O60674	4.978810700930062	4.869666231504994	0.10914446942506739	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	P52333	O60674	5.6020599913279625	5.795880017344075	0.19382002601611248	Different Family
[O60674, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	P52333	O60674	5.7447274948966935	5.494850021680094	0.2498774732165998	Different Family
[O60674, P52333]	c1cc2c(cc1C(F)(F)F)n(cn2)c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	7.167491087293763	6.251811972993799	0.9156791142999641	Different Family
[O60674, P52333]	c1cc2c(cc1C(F)(F)F)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	6.610833915635467	5.7447274948966935	0.8661064207387739	Different Family
[O60674, P52333]	c1cc2c(cc1Cl)n(cn2)c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	7.853871964321762	6.405607449624573	1.4482645146971889	Different Family
[O60674, P52333]	c1cc2c(cc1F)n(cn2)c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	7.42021640338319	5.468521082957745	1.9516953204254452	Different Family
[O60674, P52333]	c1cc2cc(c1)NC(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	O60674	7.6777807052660805	6.982966660701219	0.6948140445648612	Different Family
[O60674, P52333]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	O60674	6.488116639021126	6.229884705212898	0.2582319338082275	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	P52333	O60674	7.2076083105017466	7.6020599913279625	0.39445168082621596	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P52333	O60674	7.259637310505756	7.638272163982407	0.37863485347665105	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	P52333	O60674	6.501689446210399	6.920818753952375	0.41912930774197577	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P52333	O60674	7.823908740944319	8.301029995663981	0.4771212547196626	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P52333	O60674	7.2441251443275085	7.040958607678906	0.2031665366486024	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P52333	O60674	8.036212172654444	8.0	0.03621217265444443	Different Family
[O60674, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P52333	O60674	8.619788758288394	8.721246399047171	0.1014576407587775	Different Family
[O60674, P52333]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	O60674	8.193820026016112	8.080921907623926	0.11289811839218622	Different Family
[O60674, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	O60674	7.769551078621726	7.309803919971486	0.45974715865023974	Different Family
[O60674, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	P52333	O60674	6.522878745280337	6.47755576649368	0.045322978786657586	Different Family
[O60674, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	P52333	O60674	6.7447274948966935	6.931814138253839	0.1870866433571452	Different Family
[O60674, P52333]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	P52333	O60674	6.431798275933005	6.180456064458132	0.25134221147487334	Different Family
[O60674, P52333]	c1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC(F)F	P52333	O60674	6.079782725930734	6.88672530753565	0.8069425816049156	Different Family
[O60674, P52333]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	P52333	O60674	7.568636235841013	6.259637310505756	1.3089989253352572	Different Family
[O60674, P52333]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	P52333	O60674	5.721246399047171	5.853871964321762	0.13262556527459068	Different Family
[O60674, P52333]	c1ccc(cc1)C2=C(C(=O)NC2=O)Nc3cccc(c3)OCCNc4ccnc(c4)F	P52333	O60674	6.239577516576788	4.955460239607589	1.2841172769691989	Different Family
[O60674, P52333]	c1ccc(cc1)CN2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	7.638272163982407	7.075720713938118	0.562551450044289	Different Family
[O60674, P52333]	c1ccc(cc1)CN2CCCC(C2)Nc3c4cc[nH]c4ncc3C(=O)N	P52333	O60674	6.752922702990778	6.280175785218264	0.47274691777251476	Different Family
[O60674, P52333]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	5.6777807052660805	5.568636235841013	0.10914446942506739	Different Family
[O60674, P52333]	c1ccc(cc1)N2CCN(CC2)CC(=O)Nc3cccc(c3)c4cnc5ccccc5n4	P52333	O60674	6.568636235841013	4.7447274948966935	1.8239087409443195	Different Family
[O60674, P52333]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P52333	O60674	5.542118103266008	7.142667503568732	1.6005494003027243	Different Family
[O60674, P52333]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P52333	O60674	7.769551078621726	5.414539270491499	2.355011808130227	Different Family
[O60674, P52333]	c1ccc(cc1)Nc2nc3ccccn3n2	P52333	O60674	5.5230235342404725	5.962932241957442	0.43990870771696944	Different Family
[O60674, P52333]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P52333	O60674	5.513144644723057	5.163422725159351	0.3497219195637058	Different Family
[O60674, P52333]	c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	P52333	O60674	5.698970004336019	7.214670164989233	1.5157001606532141	Different Family
[O60674, P52333]	c1ccc(cc1)c2cc(c(s2)Nc3ccccn3)C(=O)N	P52333	O60674	5.2839966563652006	7.187086643357144	1.9030899869919438	Different Family
[O60674, P52333]	c1ccc(cc1)c2cc(c(s2)Nc3cccnc3)C(=O)N	P52333	O60674	4.54515513999149	6.496209316942819	1.9510541769513292	Different Family
[O60674, P52333]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	P52333	O60674	7.508638306165727	7.3872161432802645	0.12142216288546237	Different Family
[O60674, P52333]	c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	P52333	O60674	5.7447274948966935	4.688246138944246	1.0564813559524477	Different Family
[O60674, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	O60674	4.85078088734462	5.552841968657781	0.7020610813131603	Different Family
[O60674, P52333]	c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(C(=O)N2)c5ccc(cc5)O	P52333	O60674	5.815308569182402	6.568636235841013	0.7533276666586115	Different Family
[O60674, P52333]	c1ccc2c(c1)C(CCO2)n3c4c(cnc(n4)n5cnc6c5cccc6)[nH]c3=O	P52333	O60674	7.022276394711152	6.769551078621726	0.2527253160894265	Different Family
[O60674, P52333]	c1ccc2c(c1)CCCC2Nc3ccnc(n3)n4cnc5c4cncc5	P52333	O60674	5.0411018052892285	5.141583122276511	0.10048131698728291	Different Family
[O60674, P52333]	c1ccc2c(c1)CCCN2c3cccc4n3nc(n4)N5CCCc6c5cccc6	P52333	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, P52333]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	P52333	O60674	7.769551078621726	8.301029995663981	0.5314789170422554	Different Family
[O60674, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCCNc5ccnc(c5)F	P52333	O60674	6.8696662315049934	5.896196279044043	0.9734699524609507	Different Family
[O60674, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	P52333	O60674	6.696803942579511	5.013810700263176	1.6829932423163356	Different Family
[O60674, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(CC5)c6ccnc(c6)F	P52333	O60674	6.204119982655925	5.896196279044043	0.30792370361188226	Different Family
[O60674, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CN(C5)c6ccnc(c6)F	P52333	O60674	6.698970004336019	4.996539467890494	1.702430536445525	Different Family
[O60674, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P52333	O60674	7.5376020021010435	5.671620396561262	1.8659816055397815	Different Family
[O60674, P52333]	c1ccc2c(c1)ncc(n2)c3cccc(c3)NC(=O)CC#N	P52333	O60674	6.866461091629782	4.7423214251308154	2.1241396664989667	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOCC5	P52333	O60674	6.939302159646388	5.488116639021126	1.4511855206252626	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOc6c5c(ccc6)F	P52333	O60674	7.318758762624412	7.013228265733755	0.3055304968906576	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOc6c5cc(cc6)Cl	P52333	O60674	6.437707135543525	6.301029995663981	0.1366771398795441	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOc6c5cc(cc6)F	P52333	O60674	7.552841968657781	7.080921907623926	0.4719200610338543	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOc6c5ccc(c6)F	P52333	O60674	6.585026652029182	7.022276394711152	0.4372497426819706	Different Family
[O60674, P52333]	c1ccc2c(c1)ncn2c3ncc4c(n3)n(c(=O)[nH]4)C5CCOc6c5cccc6Cl	P52333	O60674	6.769551078621726	6.075720713938118	0.6938303646836079	Different Family
[P29597, P52333]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	P52333	P29597	8.638272163982407	5.505845405981558	3.1324267580008494	Same Family
[P29597, P52333]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P29597	6.928117992693875	6.835647144215563	0.0924708484783121	Same Family
[P29597, P52333]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P29597	4.987162775294828	5.156144577376839	0.16898180208201108	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P29597	6.512861624522814	6.575118363368933	0.06225673884611904	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	P52333	P29597	6.1904402853647325	5.809668301829708	0.3807719835350243	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN(C)C	P52333	P29597	5.47755576649368	5.3872161432802645	0.09033962321341527	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	P52333	P29597	5.623423042943488	5.573488738635425	0.04993430430806267	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCOCC4	P52333	P29597	6.016373712875465	6.120904120499927	0.10453040762446175	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	P52333	P29597	6.36251027048749	6.030584087646019	0.331926182841471	Same Family
[P29597, P52333]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCOC	P52333	P29597	5.892790030352131	5.8297382846050425	0.06305174574708872	Same Family
[P29597, P52333]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P29597	6.72584215073632	6.694648630553377	0.031193520182943857	Same Family
[P29597, P52333]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	5.721246399047171	5.568636235841013	0.15261016320615806	Same Family
[P29597, P52333]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	P52333	P29597	5.070581074285707	4.590066876668706	0.4805141976170013	Same Family
[P29597, P52333]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	P52333	P29597	7.8979400086720375	7.148612461049478	0.7493275476225598	Same Family
[P29597, P52333]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	P52333	P29597	7.770303756120384	6.958607314841775	0.8116964412786096	Same Family
[P29597, P52333]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	P52333	P29597	8.008864383480216	7.379975113943676	0.6288892695365398	Same Family
[P29597, P52333]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	P52333	P29597	7.673393743112328	6.799299729609228	0.8740940135031003	Same Family
[P29597, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	P52333	P29597	7.5869625986495866	7.872363747448347	0.2854011487987602	Same Family
[P29597, P52333]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	P52333	P29597	7.268950809432422	6.772577569995745	0.4963732394366769	Same Family
[P29597, P52333]	CCCOc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	6.886056647693163	6.889410289700751	0.0033536420075881423	Same Family
[P29597, P52333]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	P52333	P29597	5.22548303427145	5.690369832574102	0.46488679830265145	Same Family
[P29597, P52333]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P29597	6.014573525916998	5.97061622231479	0.043957303602208064	Same Family
[P29597, P52333]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P52333	P29597	6.6777807052660805	6.657577319177793	0.02020338608828709	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC(=O)NCCOC)C(=O)N(C4CC4)C5CC5	P52333	P29597	6.301029995663981	6.537602002101044	0.2365720064370631	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC)C(=O)N(C4CC4)C5CC5	P52333	P29597	6.721246399047171	7.154901959985743	0.43365556093857194	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	P52333	P29597	5.853871964321762	6.161150909262744	0.3072789449409825	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	7.060480747381382	8.721246399047171	1.6607656516657894	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	6.443697499232713	7.180456064458132	0.7367585652254185	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	5.301029995663981	5.638272163982407	0.3372421683184257	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	6.795880017344075	6.958607314841775	0.16272729749769965	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(cs4)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	7.638272163982407	7.346787486224656	0.2914846777577509	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4ncc(s4)C)C(=O)N(C5CC5)C6CC6	P52333	P29597	7.113509274827518	7.337242168318426	0.22373289349090797	Same Family
[P29597, P52333]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nccs4)C(=O)N(C5CC5)C6CC6	P52333	P29597	7.2076083105017466	7.552841968657781	0.345233658156034	Same Family
[P29597, P52333]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P29597	5.779891911959945	5.288192770958809	0.49169914100113576	Same Family
[P29597, P52333]	CN(C)C1CCN(C1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(c(c5)Cl)Cl	P52333	P29597	7.229147988357856	7.346787486224656	0.11763949786679984	Same Family
[P29597, P52333]	CN(C)C1CCN(C1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)OC	P52333	P29597	6.647817481888637	6.614393726401688	0.033423755486949425	Same Family
[P29597, P52333]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P29597	6.070581074285707	7.154901959985743	1.084320885700036	Same Family
[P29597, P52333]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P29597	5.698970004336019	7.154901959985743	1.4559319556497243	Same Family
[P29597, P52333]	CN(CCOc1cccc(c1)NC2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4)c5ccnc(c5)F	P52333	P29597	7.337242168318426	6.002176919254275	1.3350652490641508	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	P52333	P29597	5.182434630440219	6.235077015350112	1.052642384909893	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	P52333	P29597	5.278189384787454	6.155612172363577	0.8774227875761236	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	P52333	P29597	5.72584215073632	6.446116973356125	0.720274822619805	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	P52333	P29597	5.496209316942819	6.616184634019569	1.11997531707675	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	P52333	P29597	5.053547734986927	6.490797477668897	1.4372497426819697	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	P52333	P29597	5.092051478387727	6.056505484093897	0.9644540057061697	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	P52333	P29597	5.259637310505756	6.478861916295964	1.2192246057902079	Same Family
[P29597, P52333]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	P52333	P29597	5.505845405981558	6.437707135543525	0.9318617295619678	Same Family
[P29597, P52333]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(cc5)Cl	P52333	P29597	7.455931955649724	8.55284196865778	1.0969100130080562	Same Family
[P29597, P52333]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5cccc(c5)OC	P52333	P29597	7.180456064458132	7.4089353929735005	0.22847932851536878	Same Family
[P29597, P52333]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	P29597	5.585026652029182	5.173925197299174	0.4111014547300078	Same Family
[P29597, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccc(c(c5)Cl)CN6CCOCC6	P52333	P29597	6.616184634019569	6.705533773838407	0.08934913981883774	Same Family
[P29597, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)Cl	P52333	P29597	6.705533773838407	6.795880017344075	0.09034624350566833	Same Family
[P29597, P52333]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccccc5	P52333	P29597	6.578396073130169	7.1487416512809245	0.5703455781507554	Same Family
[P29597, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P52333	P29597	5.872895201635193	5.876148359032914	0.0032531573977214734	Same Family
[P29597, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	P52333	P29597	6.437707135543525	6.681936665037238	0.24422952949371268	Same Family
[P29597, P52333]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	P52333	P29597	6.115204636051019	6.028260409112222	0.08694422693879744	Same Family
[P29597, P52333]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	P52333	P29597	5.721246399047171	5.251811972993799	0.4694344260533718	Same Family
[P29597, P52333]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	P52333	P29597	5.823908740944319	5.3872161432802645	0.4366925976640541	Same Family
[P29597, P52333]	COC(=O)C1CCc2c(nc([nH]2)c3c(cc[nH]c3=O)NC4CCC(CC4)N)C1	P52333	P29597	7.769551078621726	8.154901959985743	0.3853508813640172	Same Family
[P29597, P52333]	COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	P29597	5.080921907623926	4.552841968657781	0.5280799389661457	Same Family
[P29597, P52333]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P52333	P29597	5.211831628858833	4.943095148663527	0.2687364801953054	Same Family
[P29597, P52333]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P52333	P29597	6.277366077466188	6.284832642151542	0.007466564685354449	Same Family
[P29597, P52333]	COc1ccc(cc1F)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	6.507239610973162	6.696803942579511	0.18956433160634933	Same Family
[P29597, P52333]	COc1ccc(cc1OC)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P52333	P29597	5.920818753952375	5.892790030352131	0.028028723600243666	Same Family
[P29597, P52333]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	7.180456064458132	7.494850021680094	0.31439395722196206	Same Family
[P29597, P52333]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	6.714442690992226	6.767003889607846	0.05256119861561981	Same Family
[P29597, P52333]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	P52333	P29597	7.229147988357856	7.060480747381382	0.16866724097647445	Same Family
[P29597, P52333]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P52333	P29597	6.2636034977233574	6.051587034221399	0.2120164635019588	Same Family
[P29597, P52333]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	5.638272163982407	5.455931955649724	0.1823402083326826	Same Family
[P29597, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P52333	P29597	6.061480274823508	5.5638373529592435	0.49764292186426484	Same Family
[P29597, P52333]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P52333	P29597	7.142667503568732	5.73754891026957	1.4051185932991617	Same Family
[P29597, P52333]	Cc1ccc(cn1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P52333	P29597	6.354577730650908	6.931814138253839	0.577236407602931	Same Family
[P29597, P52333]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccc4	P52333	P29597	5.657577319177793	6.113509274827518	0.45593195564972433	Same Family
[P29597, P52333]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	P52333	P29597	7.086186147616283	7.522878745280337	0.4366925976640541	Same Family
[P29597, P52333]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	P52333	P29597	6.0	6.823908740944319	0.8239087409443187	Same Family
[P29597, P52333]	Cn1c2ccc(cc2cn1)c3cc4c5ccc(cc5[nH]c4c(c3)C(=O)N)N6CCN(CC6)C	P52333	P29597	6.489454989793388	6.607303046740334	0.11784805694694622	Same Family
[P29597, P52333]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P52333	P29597	6.747146969020107	5.292089334286894	1.4550576347332127	Same Family
[P29597, P52333]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	P52333	P29597	7.4089353929735005	8.00436480540245	0.595429412428949	Same Family
[P29597, P52333]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	P52333	P29597	9.148741651280925	8.318758762624412	0.829982888656513	Same Family
[P29597, P52333]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	P52333	P29597	7.455931955649724	5.249954687988232	2.205977267661492	Same Family
[P29597, P52333]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	P52333	P29597	5.8326826652518236	7.376750709602099	1.5440680443502757	Same Family
[P29597, P52333]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3cccnc3)N)F	P52333	P29597	5.301029995663981	6.522878745280337	1.2218487496163561	Same Family
[P29597, P52333]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	P52333	P29597	5.694433686484696	6.216096420727265	0.521662734242569	Same Family
[P29597, P52333]	c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	P52333	P29597	6.856985199745905	7.508638306165727	0.6516531064198219	Same Family
[P29597, P52333]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	5.721246399047171	5.366531544420414	0.35471485462675734	Same Family
[P29597, P52333]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	P52333	P29597	5.468521082957745	6.187086643357144	0.7185655603993997	Same Family
[P29597, P52333]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	P52333	P29597	6.943095148663527	6.413412695328245	0.5296824533352824	Same Family
[P29597, P52333]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	P29597	5.142667503568732	5.823908740944319	0.6812412373755867	Same Family
[P29597, P52333]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P29597	5.903089986991944	7.154901959985743	1.2518119729937993	Same Family
[P29597, P52333]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	5.721246399047171	5.6020599913279625	0.11918640771920863	Same Family
[P29597, P52333]	c1cc(ccc1c2cc3c(s2)c(cnc3N)C(=O)N)N4CCOCC4	P52333	P29597	7.7447274948966935	7.180456064458132	0.5642714304385619	Same Family
[P29597, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	P52333	P29597	5.6777807052660805	5.494850021680094	0.18293068358598674	Same Family
[P29597, P52333]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	P52333	P29597	5.619788758288394	5.494850021680094	0.1249387366082999	Same Family
[P29597, P52333]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCC(CC5)(F)F	P52333	P29597	6.710857164067667	6.90031935889075	0.1894621948230828	Same Family
[P29597, P52333]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	P52333	P29597	5.546223140309558	5.6786087216883105	0.13238558137875245	Same Family
[P29597, P52333]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	P52333	P29597	7.2441251443275085	6.823908740944319	0.4202164033831899	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	P52333	P29597	4.906578314837765	4.512861624522814	0.3937166903149514	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	P52333	P29597	4.844663962534939	4.508638306165727	0.33602565636921167	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	P52333	P29597	5.823908740944319	5.1938200260161125	0.6300887149282062	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	P52333	P29597	4.686132779630847	4.374687549038326	0.31144523059252105	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	P52333	P29597	5.6020599913279625	5.481486060122113	0.12057393120584958	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	P52333	P29597	5.958607314841775	5.6020599913279625	0.35654732351381213	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	P52333	P29597	5.823908740944319	5.508638306165727	0.31527043477859173	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	P52333	P29597	5.5376020021010435	5.431798275933005	0.10580372616803846	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	P52333	P29597	4.978810700930062	5.236572006437063	0.2577613055070014	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	P52333	P29597	5.6020599913279625	5.552841968657781	0.04921802267018194	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	P52333	P29597	5.7447274948966935	5.366531544420414	0.37819595047627974	Same Family
[P29597, P52333]	c1cc2c(cc1C(=O)N3CCOCC3)c4cc(cc(c4[nH]2)C(=O)N)c5ccc(cc5Cl)Cl	P52333	P29597	6.924453038607469	7.3979400086720375	0.4734869700645685	Same Family
[P29597, P52333]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P29597	6.488116639021126	6.080921907623926	0.4071947313971993	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	P52333	P29597	7.2076083105017466	6.97469413473523	0.23291417576651696	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P52333	P29597	7.259637310505756	7.275724130399211	0.01608681989345495	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	P52333	P29597	6.501689446210399	6.3979400086720375	0.10374943753836163	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P52333	P29597	7.823908740944319	6.826813731587726	0.9970950093565927	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P52333	P29597	7.2441251443275085	6.522878745280337	0.7212463990471711	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P52333	P29597	8.036212172654444	7.455931955649724	0.5802802170047201	Same Family
[P29597, P52333]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P52333	P29597	8.619788758288394	7.6020599913279625	1.0177287669604311	Same Family
[P29597, P52333]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P29597	8.193820026016112	7.366531544420414	0.8272884815956987	Same Family
[P29597, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	P29597	7.769551078621726	6.3979400086720375	1.3716110699496884	Same Family
[P29597, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	P52333	P29597	6.522878745280337	6.3585258894959	0.16435285578443715	Same Family
[P29597, P52333]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	P52333	P29597	6.7447274948966935	6.6252516539898965	0.11947584090679708	Same Family
[P29597, P52333]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	P52333	P29597	6.431798275933005	6.552841968657781	0.12104369272477555	Same Family
[P29597, P52333]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	P52333	P29597	7.568636235841013	8.173925197299173	0.60528896145816	Same Family
[P29597, P52333]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	P52333	P29597	5.721246399047171	6.431798275933005	0.7105518768858339	Same Family
[P29597, P52333]	c1ccc(cc1)Cc2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	6.910094888560602	6.747146969020107	0.16294791954049526	Same Family
[P29597, P52333]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	5.6777807052660805	5.1249387366083	0.5528419686577806	Same Family
[P29597, P52333]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P52333	P29597	5.542118103266008	5.701146923590294	0.159028820324286	Same Family
[P29597, P52333]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P52333	P29597	7.769551078621726	5.636388020107856	2.13316305851387	Same Family
[P29597, P52333]	c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P52333	P29597	5.488116639021126	6.443697499232713	0.9555808602115876	Same Family
[P29597, P52333]	c1ccc(cc1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	7.318758762624412	7.795880017344075	0.4771212547196626	Same Family
[P29597, P52333]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	P29597	6.609064892896621	7.154901959985743	0.5458370670891224	Same Family
[P29597, P52333]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P52333	P29597	6.00436480540245	6.801342913045577	0.7969781076431266	Same Family
[P29597, P52333]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	P52333	P29597	7.508638306165727	6.3979400086720375	1.1106982974936894	Same Family
[P29597, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	P52333	P29597	5.7447274948966935	5.568636235841013	0.17609125905568046	Same Family
[P29597, P52333]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P52333	P29597	4.85078088734462	5.376750709602099	0.5259698222574789	Same Family
[P29597, P52333]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCC(CC4)N	P52333	P29597	8.602059991327963	8.823908740944319	0.22184874961635614	Same Family
[P29597, P52333]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	P52333	P29597	7.769551078621726	8.045757490560675	0.2762064119389489	Same Family
[P29597, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	P52333	P29597	6.696803942579511	5.006828394969235	1.6899755476102767	Same Family
[P29597, P52333]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCn5ccnc5	P52333	P29597	6.555955204081924	5.132650382811208	1.4233048212707162	Same Family
[P52333, Q9UM73]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P52333	Q9UM73	7.056754637413759	7.301029995663981	0.2442753582502224	Different Group
[P52333, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P52333	Q9UM73	6.45717457304082	7.590228032229065	1.133053459188245	Different Group
[P52333, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P52333	Q9UM73	5.585026652029182	5.638272163982407	0.05324551195322513	Different Group
[P52333, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	Q9UM73	5.142667503568732	6.119186407719209	0.9765189041504767	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P52333	Q9UM73	7.259637310505756	5.910094888560602	1.349542421945154	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P52333	Q9UM73	7.823908740944319	6.552841968657781	1.271066772286538	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P52333	Q9UM73	7.2441251443275085	5.086186147616283	2.1579389967112252	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P52333	Q9UM73	8.036212172654444	5.815308569182402	2.220903603472043	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P52333	Q9UM73	8.619788758288394	6.151195298948196	2.4685934593401972	Different Group
[P52333, Q9UM73]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P52333	Q9UM73	8.193820026016112	5.688246138944246	2.5055738870718667	Different Group
[P52333, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P52333	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P52333, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P52333	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P52333, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(cc5)Cl	P52333	Q06187	7.455931955649724	6.958607314841775	0.4973246408079497	Different Family
[P52333, Q06187]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P52333	Q06187	8.318758762624412	6.100179497572904	2.218579265051509	Different Family
[P52333, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P52333	Q06187	4.6020599913279625	4.6020599913279625	0.0	Different Family
[P52333, Q06187]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P52333	Q06187	7.180456064458132	6.443697499232713	0.7367585652254185	Different Family
[P52333, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P52333	Q06187	5.101274818410507	5.473660722610156	0.3723859041996498	Different Family
[P52333, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P52333	Q06187	5.275724130399211	6.022276394711152	0.7465522643119415	Different Family
[P52333, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P52333	Q06187	5.5718652059712115	8.075161011423816	2.5032958054526047	Different Family
[P52333, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CNC(=O)C=C)NC(=O)c4cccc(c4)C(F)(F)F	P52333	Q06187	5.195860567664649	7.886056647693163	2.690196080028514	Different Family
[P52333, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P52333	Q06187	6.061480274823508	5.47755576649368	0.5839245083298286	Different Family
[P52333, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P52333	Q06187	7.142667503568732	6.2636034977233574	0.8790640058453745	Different Family
[P52333, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P52333	Q06187	5.920818753952375	7.0	1.079181246047625	Different Family
[P52333, Q06187]	c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	P52333	Q06187	6.856985199745905	6.336299074610352	0.520686125135553	Different Family
[P52333, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P52333	Q06187	5.142667503568732	6.236572006437063	1.0939045028683312	Different Family
[P52333, Q06187]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P52333	Q06187	5.513144644723057	7.928117992693875	2.414973347970818	Different Family
[O15530, Q96GD4]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	O15530	7.7447274948966935	6.795880017344075	0.9488474775526186	Different Group
[O15530, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	O15530	8.564089641766962	8.2839966563652	0.28009298540176175	Different Group
[O15530, Q96GD4]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	Q96GD4	O15530	8.236572006437063	4.086186147616283	4.15038585882078	Different Group
[O15530, Q96GD4]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O15530	8.744727494896694	4.060480747381382	4.684246747515312	Different Group
[O15530, Q96GD4]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O15530	8.823908740944319	4.013228265733755	4.810680475210564	Different Group
[O15530, Q96GD4]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	Q96GD4	O15530	6.795880017344075	6.698970004336019	0.09691001300805624	Different Group
[O15530, Q96GD4]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	O15530	6.958607314841775	6.4089353929735005	0.5496719218682742	Different Group
[O15530, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O15530	8.638272163982407	4.080921907623926	4.557350256358481	Different Group
[O15530, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O15530	7.7447274948966935	4.017728766960432	3.7269987279362615	Different Group
[O15530, Q96GD4]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	Q96GD4	O15530	7.040958607678906	5.318758762624412	1.7221998450544937	Different Group
[P43405, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	P43405	6.910094888560602	6.13608262304214	0.7740122655184623	Different Group
[P43405, Q96GD4]	Cc1ccc(cc1)Nc2c(cnc(n2)NC3CCCCC3N)C(=O)N	Q96GD4	P43405	4.900000142057633	8.0	3.0999998579423673	Different Group
[P43405, Q96GD4]	Cc1ccc(cc1)Nc2c(cnc(n2)NC3CCOCC3N)C(=O)N	Q96GD4	P43405	4.749485028537233	7.50003813440381	2.750553105866577	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3CC(CCC3N)(F)F)C(=O)N	Q96GD4	P43405	5.899998417198648	8.400007822415901	2.500009405217253	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3CCC(CC3N)(F)F)C(=O)N	Q96GD4	P43405	5.300000202445418	7.0	1.6999997975545824	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3CCCNC3)C(=O)N	Q96GD4	P43405	5.9499982960146625	7.000012101952962	1.0500138059383	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3CCOCC3N)C(=O)N	Q96GD4	P43405	5.200000237109354	7.899974269892137	2.6999740327827837	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3COCC3N)C(=O)N	Q96GD4	P43405	5.700000503883016	5.899998417198648	0.19999791331563177	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NC3COCCC3N)C(=O)N	Q96GD4	P43405	5.40000018605658	6.399996913372259	0.9999967273156791	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)NCCN)C(=O)N	Q96GD4	P43405	5.899998417198648	7.361424693018101	1.461426275819453	Different Group
[P43405, Q96GD4]	Cc1cccc(c1)Nc2c(cnc(n2)OCCN)C(=O)N	Q96GD4	P43405	5.700000503883016	5.59999938302362	0.10000112085939605	Different Group
[P43405, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	Q96GD4	P43405	7.376750709602099	7.356547323513813	0.0202033860882862	Different Group
[P43405, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P43405	6.040958607678906	4.698970004336019	1.3419886033428874	Different Group
[P43405, Q96GD4]	c1cc(cc(c1)Nc2c(cnc(n2)N3CCCC(C3)N)C(=O)N)C(F)(F)F	Q96GD4	P43405	5.100000128334196	6.399996913372259	1.2999967850380632	Different Group
[P12931, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P12931	4.366531544420414	5.356547323513812	0.9900157790933983	Different Group
[P12931, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	P12931	4.214670164989233	5.657577319177793	1.4429071541885605	Different Group
[P12931, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	P12931	5.410050398674292	5.064492734175287	0.3455576644990046	Different Group
[P12931, Q96GD4]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	Q96GD4	P12931	6.399996913372259	7.400007822415902	1.0000109090436426	Different Group
[P12931, Q96GD4]	CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2	Q96GD4	P12931	7.721246399047171	7.136677139879544	0.584569259167627	Different Group
[P12931, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	P12931	6.910094888560602	5.363512103646634	1.5465827849139675	Different Group
[P12931, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	P12931	5.6777807052660805	4.3872161432802645	1.290564561985816	Different Group
[P12931, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	P12931	4.685805534974844	4.68837535480105	0.0025698198262054106	Different Group
[P12931, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	P12931	4.337242168318426	4.853871964321762	0.5166297960033361	Different Group
[P12931, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	P12931	4.698970004336019	4.309803919971486	0.3891660843645326	Different Group
[P12931, Q96GD4]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q96GD4	P12931	4.686132779630847	4.698970004336019	0.012837224705172012	Different Group
[P12931, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	P12931	5.600326278518962	6.431798275933005	0.8314719974140434	Different Group
[P12931, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	P12931	5.137272471682025	6.309803919971486	1.1725314482894609	Different Group
[P12931, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	P12931	5.060980223551334	5.448550002027125	0.38756977847579144	Different Group
[P12931, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	P12931	4.645891560852599	4.8996294548824375	0.2537378940298387	Different Group
[P12931, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q96GD4	P12931	4.419075024324381	5.619788758288394	1.2007137339640126	Different Group
[P12931, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q96GD4	P12931	4.600326278518962	5.718966632752273	1.1186403542333112	Different Group
[P12931, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	P12931	5.6020599913279625	6.096910013008056	0.49485002168009373	Different Group
[P12931, Q96GD4]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	Q96GD4	P12931	5.050609993355088	7.187086643357144	2.1364766500020567	Different Group
[P12931, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	P12931	6.301029995663981	5.721246399047171	0.5797835966168101	Different Group
[P12931, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	P12931	5.638272163982407	6.154901959985743	0.5166297960033361	Different Group
[P12931, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P12931	6.040958607678906	6.920818753952375	0.8798601462734688	Different Group
[P12931, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	P12931	5.585026652029182	5.698970004336019	0.11394335230683694	Different Group
[P12931, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q96GD4	P12931	8.638272163982407	8.102372908709558	0.5358992552728488	Different Group
[Q05397, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	Q05397	4.366531544420414	4.552841968657781	0.18631042423736677	Different Group
[Q05397, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	Q05397	4.214670164989233	5.518557371497695	1.3038872065084623	Different Group
[Q05397, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	Q05397	5.410050398674292	5.341035157335565	0.06901524133872705	Different Group
[Q05397, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q96GD4	Q05397	6.471083299722345	6.853871964321762	0.38278866459941696	Different Group
[Q05397, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	Q05397	4.685805534974844	6.1001574545454496	1.4143519195706054	Different Group
[Q05397, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	Q05397	4.337242168318426	5.022276394711152	0.6850342263927267	Different Group
[Q05397, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	Q05397	4.698970004336019	4.366531544420414	0.33243845991560494	Different Group
[Q05397, Q96GD4]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q96GD4	Q05397	4.686132779630847	4.686132779630847	0.0	Different Group
[Q05397, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	Q05397	5.600326278518962	6.376750709602099	0.7764244310831376	Different Group
[Q05397, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	Q05397	5.137272471682025	6.096910013008056	0.959637541326031	Different Group
[Q05397, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	Q05397	5.060980223551334	5.123782159408358	0.0628019358570242	Different Group
[Q05397, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	Q05397	4.645891560852599	4.787812395596042	0.14192083474344308	Different Group
[Q05397, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q96GD4	Q05397	4.419075024324381	4.772113295386326	0.3530382710619451	Different Group
[Q05397, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q96GD4	Q05397	4.600326278518962	4.87942606879415	0.27909979027518883	Different Group
[Q05397, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	Q05397	5.008773924307505	4.301029995663981	0.7077439286435236	Different Group
[Q05397, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	Q05397	5.6020599913279625	5.507239610973163	0.09482038035479956	Different Group
[Q05397, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	Q05397	6.301029995663981	5.6777807052660805	0.6232492903979008	Different Group
[Q05397, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	Q05397	5.638272163982407	5.455931955649724	0.1823402083326826	Different Group
[Q05397, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	Q05397	6.040958607678906	5.920818753952375	0.12013985372653124	Different Group
[Q05397, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	Q05397	5.585026652029182	5.136677139879544	0.4483495121496377	Different Group
[P35968, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P35968	4.366531544420414	5.356547323513812	0.9900157790933983	Different Group
[P35968, Q96GD4]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	Q96GD4	P35968	7.828566099056991	8.300162274132754	0.4715961750757627	Different Group
[P35968, Q96GD4]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	Q96GD4	P35968	6.97061622231479	7.920818753952375	0.9502025316375846	Different Group
[P35968, Q96GD4]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	Q96GD4	P35968	5.208309350979882	5.701146923590294	0.4928375726104113	Different Group
[P35968, Q96GD4]	CC1(C2CC(C(C1C2)Nc3c(cnc(n3)Nc4cnn(c4)C)C(F)(F)F)C(=O)N)C	Q96GD4	P35968	7.366531544420414	6.578396073130169	0.7881354712902446	Different Group
[P35968, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	P35968	4.214670164989233	5.653647025549361	1.4389768605601283	Different Group
[P35968, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	P35968	5.410050398674292	5.317854923626168	0.09219547504812375	Different Group
[P35968, Q96GD4]	CCn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Cl	Q96GD4	P35968	8.096910013008056	8.309894379144197	0.21298436613614058	Different Group
[P35968, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	Q96GD4	P35968	7.823908740944319	6.040958607678906	1.7829501332654125	Different Group
[P35968, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	Q96GD4	P35968	7.481486060122113	5.309803919971486	2.1716821401506268	Different Group
[P35968, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	Q96GD4	P35968	8.193820026016112	6.958607314841775	1.2352127111743378	Different Group
[P35968, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	Q96GD4	P35968	6.7447274948966935	6.920818753952375	0.17609125905568135	Different Group
[P35968, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	Q96GD4	P35968	6.651516179627988	6.364516253185088	0.28699992644289996	Different Group
[P35968, Q96GD4]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	Q96GD4	P35968	6.6777807052660805	6.318758762624412	0.3590219426416681	Different Group
[P35968, Q96GD4]	CNC(=O)C1C2CC(C1Nc3c(cnc(n3)Nc4cnn(c4)C)C(F)(F)F)C=C2	Q96GD4	P35968	7.346787486224656	7.167491087293763	0.17929639893089266	Different Group
[P35968, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	Q96GD4	P35968	5.752026733638194	6.6595558851598815	0.9075291515216879	Different Group
[P35968, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	Q96GD4	P35968	5.394694953858891	5.6439741428068775	0.24927918894798662	Different Group
[P35968, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)nc([nH]4)c5c[nH]nc5	Q96GD4	P35968	5.486782399932061	5.866461091629782	0.3796786916977215	Different Group
[P35968, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	P35968	5.6777807052660805	4.958607314841775	0.7191733904243058	Different Group
[P35968, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	P35968	4.337242168318426	7.508638306165727	3.1713961378473012	Different Group
[P35968, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	P35968	4.698970004336019	5.823908740944319	1.1249387366083	Different Group
[P35968, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	P35968	5.309803919971486	4.886056647693163	0.4237472722783231	Different Group
[P35968, Q96GD4]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	Q96GD4	P35968	7.5386515663520175	8.73754891026957	1.1988973439175528	Different Group
[P35968, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	Q96GD4	P35968	7.292429823902063	5.102372908709558	2.190056915192505	Different Group
[P35968, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	Q96GD4	P35968	7.5376020021010435	4.619788758288394	2.91781324381265	Different Group
[P35968, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	Q96GD4	P35968	7.031517051446065	7.684029654543083	0.6525126030970174	Different Group
[P35968, Q96GD4]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	Q96GD4	P35968	7.455931955649724	5.4089353929735005	2.046996562676224	Different Group
[P35968, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	P35968	5.600326278518962	6.494850021680094	0.8945237431611321	Different Group
[P35968, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	P35968	5.137272471682025	6.4089353929735005	1.2716629212914752	Different Group
[P35968, Q96GD4]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	Q96GD4	P35968	5.7667499904589	6.71681189828049	0.9500619078215902	Different Group
[P35968, Q96GD4]	Cc1c(cnn1C)c2cnc(c3c2cc(o3)c4csc5c4ccnc5)N	Q96GD4	P35968	4.7594507517174005	4.701146923590294	0.05830382812710688	Different Group
[P35968, Q96GD4]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	Q96GD4	P35968	6.006475596832934	6.185086818724926	0.17861122189199197	Different Group
[P35968, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	P35968	5.060980223551334	5.2247537402597635	0.16377351670842977	Different Group
[P35968, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	P35968	4.645891560852599	4.578396073130169	0.06749548772242964	Different Group
[P35968, Q96GD4]	Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc(c(n3)NC4C5CC(C4C(=O)N)C=C5)F	Q96GD4	P35968	7.267606240177032	7.371761396879162	0.10415515670212994	Different Group
[P35968, Q96GD4]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	Q96GD4	P35968	8.0	5.6777807052660805	2.3222192947339195	Different Group
[P35968, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q96GD4	P35968	4.419075024324381	5.305394801066432	0.8863197767420505	Different Group
[P35968, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q96GD4	P35968	4.600326278518962	5.361510743045363	0.7611844645264014	Different Group
[P35968, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	Q96GD4	P35968	8.073657553374344	8.25770773535858	0.18405018198423484	Different Group
[P35968, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	Q96GD4	P35968	7.9503943874050265	8.795880017344075	0.8454856299390485	Different Group
[P35968, Q96GD4]	Cc1cnc(nc1NC2C3CC(C2C(=O)N)C=C3)Nc4cnn(c4)C	Q96GD4	P35968	6.598599459218456	6.330683119433888	0.2679163397845681	Different Group
[P35968, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P35968	5.008773924307505	4.823908740944319	0.18486518336318625	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	Q96GD4	P35968	7.376750709602099	8.051220962623397	0.6744702530212976	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)C(=O)N	Q96GD4	P35968	6.705533773838407	5.812479279163537	0.8930544946748693	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)C(F)(F)F	Q96GD4	P35968	7.552841968657781	7.68837535480105	0.13553338614326904	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Cl	Q96GD4	P35968	7.5376020021010435	7.77642098432889	0.2388189822278468	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)F	Q96GD4	P35968	7.5376020021010435	6.482804102050026	1.0547979000510175	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)OC	Q96GD4	P35968	6.838631997765025	6.035269078946371	0.803362918818654	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)[N+](=O)[O-]	Q96GD4	P35968	7.823908740944319	7.301029995663981	0.5228787452803374	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)NC5CC5)C=C4)C(F)(F)F	Q96GD4	P35968	7.292429823902063	6.534617148551582	0.7578126753504817	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)NCCO)C=C4)C(F)(F)F	Q96GD4	P35968	7.00436480540245	6.575118363368933	0.42924644203351736	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CCC(C3C(=O)N)O4)Cl	Q96GD4	P35968	6.928117992693875	6.159266765388193	0.7688512273056816	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CCC(C4)C3C(=O)N)C(F)(F)F	Q96GD4	P35968	7.180456064458132	7.172719222629128	0.00773684182900336	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CCC(C4)C3C(=O)N)Cl	Q96GD4	P35968	7.802774159586892	7.3984835564926446	0.404290603094247	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3CC4CCC3C4)C(F)(F)F	Q96GD4	P35968	7.214670164989233	6.082494490447453	1.13217567454178	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3CCC3C(=O)N)Cl	Q96GD4	P35968	7.356547323513813	6.815308569182402	0.5412387543314114	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3CCCC3C(=O)N)Cl	Q96GD4	P35968	7.494850021680094	6.609064892896621	0.885785128783473	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3CCCCC3C(=O)N)Cl	Q96GD4	P35968	6.8696662315049934	6.772113295386326	0.09755293611866733	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)Nc3ccccc3C(=O)N)C(F)(F)F	Q96GD4	P35968	7.795880017344075	6.3655227298392685	1.4303572875048065	Different Group
[P35968, Q96GD4]	Cn1cc(cn1)c2cnc(c3c2cc(o3)c4csc5c4ccnc5)N	Q96GD4	P35968	5.522878745280337	5.468521082957745	0.05435766232259276	Different Group
[P35968, Q96GD4]	c1c(cn(n1)CC(=O)N)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Cl	Q96GD4	P35968	7.6020599913279625	7.261005511874555	0.3410544794534074	Different Group
[P35968, Q96GD4]	c1c(cn(n1)CC(=O)O)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Cl	Q96GD4	P35968	7.494850021680094	9.0	1.5051499783199063	Different Group
[P35968, Q96GD4]	c1c(cn(n1)CC2CCCN2)Nc3ncc(c(n3)NC4C5CC(C4C(=O)N)C=C5)Cl	Q96GD4	P35968	7.823908740944319	7.566856330457902	0.25705241048641625	Different Group
[P35968, Q96GD4]	c1c(cn(n1)CCN2CCOCC2)Nc3ncc(c(n3)NC4C5CC(C4C(=O)N)C=C5)Cl	Q96GD4	P35968	7.568636235841013	7.576831443935097	0.008195208094083917	Different Group
[P35968, Q96GD4]	c1c(cn(n1)CCO)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Cl	Q96GD4	P35968	7.721246399047171	7.770303756120384	0.049057357073213126	Different Group
[P35968, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	P35968	5.6020599913279625	6.102372908709558	0.5003129173815957	Different Group
[P35968, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	Q96GD4	P35968	7.6020599913279625	5.751658843330804	1.8504011479971583	Different Group
[P35968, Q96GD4]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	Q96GD4	P35968	5.050609993355088	5.6020599913279625	0.5514499979728749	Different Group
[P35968, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	P35968	6.301029995663981	5.920818753952375	0.38021124171160636	Different Group
[P35968, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	P35968	5.638272163982407	6.221848749616356	0.5835765856339492	Different Group
[P35968, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P35968	6.040958607678906	6.552841968657781	0.5118833609788744	Different Group
[P35968, Q96GD4]	c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)CF	Q96GD4	P35968	5.823908740944319	4.73754891026957	1.0863598306747484	Different Group
[P35968, Q96GD4]	c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)c7cccnc7	Q96GD4	P35968	5.161150909262744	5.086186147616283	0.07496476164646104	Different Group
[P35968, Q96GD4]	c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)c7cncs7	Q96GD4	P35968	5.769551078621726	6.119186407719209	0.34963532909748274	Different Group
[P35968, Q96GD4]	c1cc(c2c(c1)nns2)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O	Q96GD4	P35968	6.795880017344075	6.187086643357144	0.6087933739869307	Different Group
[P35968, Q96GD4]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	Q96GD4	P35968	7.180456064458132	6.795880017344075	0.3845760471140567	Different Group
[P35968, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	Q96GD4	P35968	8.045757490560675	5.928117992693875	2.1176394978668	Different Group
[P35968, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	Q96GD4	P35968	8.1436373878009	8.649301437839775	0.5056640500388738	Different Group
[P35968, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	P35968	5.585026652029182	5.886056647693163	0.30102999566398125	Different Group
[P35968, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q96GD4	P35968	8.638272163982407	8.113509274827518	0.5247628891548892	Different Group
[P35968, Q96GD4]	c1ccc(cc1)Cn2cc(cn2)Nc3ncc(c(n3)NC4C5CC(C4C(=O)N)C=C5)Cl	Q96GD4	P35968	7.920818753952375	7.765826334793921	0.15499241915845374	Different Group
[P35968, Q96GD4]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	Q96GD4	P35968	7.619788758288394	7.468521082957745	0.151267675330649	Different Group
[P35968, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	P35968	6.133712660915805	5.2247537402597635	0.9089589206560413	Different Group
[P35968, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	Q96GD4	P35968	7.853871964321762	7.920818753952375	0.06694678963061307	Different Group
[P35968, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	Q96GD4	P35968	7.309803919971486	5.853871964321762	1.4559319556497243	Different Group
[P35968, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	Q96GD4	P35968	8.130768280269024	5.886056647693163	2.2447116325758607	Different Group
[O60674, Q96GD4]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	Q96GD4	O60674	6.97061622231479	6.812479279163537	0.15813694315125293	Different Group
[O60674, Q96GD4]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	Q96GD4	O60674	5.208309350979882	6.1438755557577	0.9355662047778175	Different Group
[O60674, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	O60674	8.564089641766962	9.060955120789046	0.4968654790220839	Different Group
[O60674, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q96GD4	O60674	6.471083299722345	7.3979400086720375	0.9268567089496926	Different Group
[O60674, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	Q96GD4	O60674	5.752026733638194	7.017728766960432	1.2657020333222384	Different Group
[O60674, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	Q96GD4	O60674	5.394694953858891	6.647817481888637	1.2531225280297464	Different Group
[O60674, Q96GD4]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	Q96GD4	O60674	6.804100347590766	4.882728704344236	1.9213716432465304	Different Group
[O60674, Q96GD4]	COc1ccc(cc1OC)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	Q96GD4	O60674	7.795880017344075	5.6439741428068775	2.1519058745371975	Different Group
[O60674, Q96GD4]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	Q96GD4	O60674	5.7667499904589	3.95116991347165	1.8155800769872497	Different Group
[O60674, Q96GD4]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	Q96GD4	O60674	6.006475596832934	3.8594919569618202	2.146983639871114	Different Group
[P24941, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P24941	4.366531544420414	4.638272163982407	0.27174061956199314	Different Group
[P24941, Q96GD4]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	Q96GD4	P24941	6.97061622231479	8.0	1.0293837776852097	Different Group
[P24941, Q96GD4]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	Q96GD4	P24941	5.208309350979882	7.096910013008056	1.888600662028174	Different Group
[P24941, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	P24941	6.910094888560602	5.928117992693875	0.981976895866727	Different Group
[P24941, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	Q96GD4	P24941	6.651516179627988	6.335358024443875	0.3161581551841133	Different Group
[P24941, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	Q96GD4	P24941	5.752026733638194	8.301029995663981	2.5490032620257876	Different Group
[P24941, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	Q96GD4	P24941	5.394694953858891	7.031517051446065	1.6368220975871743	Different Group
[P24941, Q96GD4]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)nc([nH]4)c5c[nH]nc5	Q96GD4	P24941	5.486782399932061	7.045757490560675	1.5589750906286142	Different Group
[P24941, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	P24941	4.685805534974844	5.161150909262744	0.47534537428790014	Different Group
[P24941, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	P24941	4.698970004336019	4.698970004336019	0.0	Different Group
[P24941, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCCC4	Q96GD4	P24941	7.031517051446065	5.554395796726403	1.4771212547196626	Different Group
[P24941, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)N)NCCCNC(=O)C5CCCC5	Q96GD4	P24941	6.546681659952962	5.838631997765025	0.7080496621879373	Different Group
[P24941, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)O)NCCCNC(=O)C5CCCC5	Q96GD4	P24941	6.52432881167557	4.866461091629782	1.6578677200457879	Different Group
[P24941, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(sc4)C(=O)N	Q96GD4	P24941	5.638272163982407	6.007004901568658	0.36873273758625125	Different Group
[P24941, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P24941	5.008773924307505	4.376750709602099	0.6320232147054057	Different Group
[P53350, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	P53350	4.214670164989233	4.0	0.21467016498923286	Different Family
[P53350, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	P53350	5.410050398674292	4.663540266151471	0.746510132522821	Different Family
[P53350, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	Q96GD4	P53350	6.651516179627988	5.455931955649724	1.1955842239782637	Different Family
[P53350, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	P53350	5.600326278518962	5.497572880015567	0.1027533985033946	Different Family
[P53350, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	P53350	5.137272471682025	5.199970640755866	0.0626981690738404	Different Family
[P53350, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	P53350	5.060980223551334	4.928117992693875	0.13286223085745874	Different Family
[P53350, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	P53350	5.6020599913279625	5.476253533188435	0.12580645813952707	Different Family
[P53350, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	P53350	6.301029995663981	5.4089353929735005	0.8920946026904808	Different Family
[P53350, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	P53350	5.638272163982407	5.1938200260161125	0.44445213796629446	Different Family
[P53350, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P53350	6.040958607678906	5.2403321553103694	0.8006264523685367	Different Family
[P53350, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	P53350	6.133712660915805	4.0	2.133712660915805	Different Family
[Q14164, Q96GD4]	CC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	4.91721462968355	5.170696227168975	0.25348159748542454	Different Family
[Q14164, Q96GD4]	CC(C)(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	5.841637507904751	6.303643611266668	0.46200610336191694	Different Family
[Q14164, Q96GD4]	CC(C)(CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2)CO	Q96GD4	Q14164	5.774690718274137	6.481486060122113	0.7067953418479762	Different Family
[Q14164, Q96GD4]	CC(C)CCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	4.72584215073632	5.756961951313706	1.0311198005773852	Different Family
[Q14164, Q96GD4]	CC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	5.22767829327708	6.5638373529592435	1.3361590596821635	Different Family
[Q14164, Q96GD4]	CC(C)CNC(=O)c1csc(n1)c2cnc3c(c2NCCCNC(=O)C4CCCC4)nc([nH]3)c5ccc(cc5)OC	Q96GD4	Q14164	5.607303046740334	5.490797477668897	0.11650556907143717	Different Family
[Q14164, Q96GD4]	CCC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	5.549750891680639	5.962573502059376	0.41282261037873713	Different Family
[Q14164, Q96GD4]	COCCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q14164	5.860120913598763	6.3851027839668655	0.5249818703681024	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCC4	Q96GD4	Q14164	7.42021640338319	7.6777807052660805	0.2575643018828906	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCCC4	Q96GD4	Q14164	7.031517051446065	7.119186407719209	0.08766935627314343	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)C(=S)N)NCCCNC(=O)C4CCCC4	Q96GD4	Q14164	6.051098239029787	6.348721986001856	0.2976237469720697	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4cc(sc4)C(=O)O)OCCCNC(=O)C5CCCC5	Q96GD4	Q14164	5.886056647693163	5.958607314841775	0.07255066714861158	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)N)NCCCNC(=O)C5CCCC5	Q96GD4	Q14164	6.546681659952962	7.376750709602099	0.8300690496491372	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)O)NCCCNC(=O)C5CCCC5	Q96GD4	Q14164	6.52432881167557	6.801342913045577	0.2770141013700069	Different Family
[Q14164, Q96GD4]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(sc4)C(=O)N	Q96GD4	Q14164	5.638272163982407	6.688246138944246	1.0499739749618389	Different Family
[P08581, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	P08581	4.366531544420414	4.5376020021010435	0.17107045768062967	Different Group
[P08581, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	P08581	4.214670164989233	4.394694953858891	0.180024788869658	Different Group
[P08581, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	P08581	5.410050398674292	5.505845405981558	0.09579500730726576	Different Group
[P08581, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	P08581	6.910094888560602	6.752026733638194	0.15806815492240833	Different Group
[P08581, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	P08581	4.685805534974844	4.455931955649724	0.22987357932511987	Different Group
[P08581, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	P08581	4.698970004336019	4.346787486224656	0.3521825181113627	Different Group
[P08581, Q96GD4]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	Q96GD4	P08581	7.031517051446065	7.97469413473523	0.9431770832891644	Different Group
[P08581, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	Q96GD4	P08581	8.229147988357855	7.507239610973162	0.7219083773846933	Different Group
[P08581, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	P08581	5.600326278518962	6.236572006437063	0.6362457279181015	Different Group
[P08581, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	P08581	5.137272471682025	5.950781977329818	0.8135095056477928	Different Group
[P08581, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	P08581	5.060980223551334	5.06398920428479	0.0030089807334565677	Different Group
[P08581, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	P08581	4.645891560852599	5.015472686656207	0.3695811258036086	Different Group
[P08581, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q96GD4	P08581	4.419075024324381	4.468521082957745	0.0494460586333636	Different Group
[P08581, Q96GD4]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q96GD4	P08581	4.600326278518962	4.107905397309519	0.4924208812094424	Different Group
[P08581, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	P08581	5.6020599913279625	6.236572006437063	0.6345120151091006	Different Group
[P08581, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	P08581	6.301029995663981	5.958607314841775	0.3424226808222066	Different Group
[P08581, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	P08581	5.638272163982407	6.096910013008056	0.4586378490256493	Different Group
[P08581, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P08581	6.040958607678906	6.236572006437063	0.19561339875815698	Different Group
[P08581, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	P08581	5.585026652029182	5.552841968657781	0.032184683371401235	Different Group
[P08581, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q96GD4	P08581	8.638272163982407	6.962573502059376	1.6756986619230307	Different Group
[O00444, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	O00444	4.366531544420414	4.552841968657781	0.18631042423736677	Different Family
[O00444, Q96GD4]	CCc1cccc(c1NC(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)CC	Q96GD4	O00444	5.619788758288394	6.886056647693163	1.2662678894047694	Different Family
[O00444, Q96GD4]	CCc1ccccc1C(C(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)N(C)C	Q96GD4	O00444	6.318758762624412	7.080921907623926	0.7621631449995139	Different Family
[O00444, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	Q96GD4	O00444	7.823908740944319	9.19520279538739	1.3712940544430712	Different Family
[O00444, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	Q96GD4	O00444	7.481486060122113	8.585026652029182	1.1035405919070689	Different Family
[O00444, Q96GD4]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	Q96GD4	O00444	8.193820026016112	9.013875755840463	0.8200557298243503	Different Family
[O00444, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	Q96GD4	O00444	6.7447274948966935	8.619788758288394	1.8750612633917	Different Family
[O00444, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O00444	5.6777807052660805	5.113509274827518	0.5642714304385628	Different Family
[O00444, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	O00444	4.685805534974844	6.00436480540245	1.3185592704276061	Different Family
[O00444, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	O00444	4.337242168318426	5.0	0.6627578316815743	Different Family
[O00444, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	O00444	4.698970004336019	5.045757490560675	0.34678748622465605	Different Family
[O00444, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O00444	5.309803919971486	4.920818753952375	0.38898516601911126	Different Family
[O00444, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	Q96GD4	O00444	7.292429823902063	8.468521082957745	1.1760912590556813	Different Family
[O00444, Q96GD4]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	Q96GD4	O00444	7.5376020021010435	8.851667404869234	1.3140654027681906	Different Family
[O00444, Q96GD4]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	Q96GD4	O00444	8.0	8.200659450546418	0.20065945054641787	Different Family
[O00444, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	O00444	5.008773924307505	5.036212172654444	0.02743824834693953	Different Family
[O00444, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	O00444	5.6020599913279625	5.527243550682788	0.07481644064517479	Different Family
[O00444, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	O00444	6.301029995663981	5.3872161432802645	0.9138138523837167	Different Family
[O00444, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	O00444	5.638272163982407	6.154901959985743	0.5166297960033361	Different Family
[O00444, Q96GD4]	c1cc(cc(c1)S(=O)(=O)N)c2c3cc(ccc3[nH]n2)NC(=O)C(c4ccsc4)N5CCCC5	Q96GD4	O00444	6.142667503568732	7.050609993355087	0.9079424897863548	Different Family
[O00444, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	O00444	5.585026652029182	5.721246399047171	0.13621974701798933	Different Family
[O00444, Q96GD4]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	Q96GD4	O00444	7.619788758288394	8.443697499232712	0.8239087409443187	Different Family
[O00444, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	Q96GD4	O00444	7.853871964321762	8.609841343929924	0.7559693796081621	Different Family
[O00444, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	Q96GD4	O00444	7.309803919971486	8.746072064152084	1.4362681441805982	Different Family
[O00444, Q96GD4]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	Q96GD4	O00444	8.130768280269024	8.443697499232712	0.3129292189636885	Different Family
[Q96GD4, Q9UQB9]	CC(=O)ON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q96GD4	Q9UQB9	5.6777807052660805	6.154901959985743	0.4771212547196626	Same Family
[Q96GD4, Q9UQB9]	CC(=O)ON=C1c2ccccc2NC1=C3c4cccc(c4NC3=O)Br	Q96GD4	Q9UQB9	4.698970004336019	5.346787486224656	0.6478174818886373	Same Family
[Q96GD4, Q9UQB9]	CC(=O)ON=C1c2ccccc2NC1=C3c4cccc(c4NC3=O)F	Q96GD4	Q9UQB9	5.096910013008056	6.0	0.9030899869919438	Same Family
[Q96GD4, Q9UQB9]	CCc1cccc(c1NC(=O)N2Cc3c([nH]nc3NC(=O)c4ccc(cc4)N5CCN(CC5)C)C2)CC	Q96GD4	Q9UQB9	6.8696662315049934	6.920818753952375	0.05115252244738144	Same Family
[Q96GD4, Q9UQB9]	CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc3cc4c([nH]3)CCCC4)C(=O)N2	Q96GD4	Q9UQB9	7.721246399047171	7.769551078621726	0.048304679574554754	Same Family
[Q96GD4, Q9UQB9]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	Q9UQB9	6.910094888560602	6.537602002101044	0.3724928864595576	Same Family
[Q96GD4, Q9UQB9]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	Q96GD4	Q9UQB9	6.651516179627988	7.214670164989233	0.5631539853612448	Same Family
[Q96GD4, Q9UQB9]	CON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q96GD4	Q9UQB9	5.522878745280337	6.3979400086720375	0.8750612633917001	Same Family
[Q96GD4, Q9UQB9]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	Q96GD4	Q9UQB9	8.229147988357855	6.813891620186795	1.4152563681710602	Same Family
[Q96GD4, Q9UQB9]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	Q96GD4	Q9UQB9	7.455931955649724	6.6777807052660805	0.7781512503836439	Same Family
[Q96GD4, Q9UQB9]	Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3nc([nH]4)N5CCN(CC5)C)Br	Q96GD4	Q9UQB9	7.6020599913279625	7.721246399047171	0.11918640771920863	Same Family
[Q96GD4, Q9UQB9]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	Q96GD4	Q9UQB9	7.6020599913279625	7.172630726946175	0.4294292643817874	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	Q96GD4	Q9UQB9	6.045757490560675	6.698970004336019	0.653212513775344	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	Q9UQB9	6.133712660915805	5.323306390375134	0.8104062705406712	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)O)c3c(c4ccccc4[nH]3)N=O	Q96GD4	Q9UQB9	5.638272163982407	6.522878745280337	0.8846065812979305	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)Br)N=O	Q96GD4	Q9UQB9	5.337242168318426	6.154901959985743	0.8176597916673174	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)Cl)N=O	Q96GD4	Q9UQB9	5.096910013008056	6.045757490560675	0.9488474775526186	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)F)N=O	Q96GD4	Q9UQB9	5.154901959985743	6.0	0.8450980400142569	Same Family
[Q96GD4, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)I)N=O	Q96GD4	Q9UQB9	5.0	6.221848749616356	1.2218487496163561	Same Family
[P28482, Q96GD4]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)O	Q96GD4	P28482	6.6439741428068775	6.153662887870195	0.4903112549366826	Different Group
[P28482, Q96GD4]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	Q96GD4	P28482	6.094204119632131	5.764471553092451	0.32973256653967997	Different Group
[P28482, Q96GD4]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	Q96GD4	P28482	6.585026652029182	6.367542707815276	0.21748394421390582	Different Group
[P28482, Q96GD4]	CC(C)(C)NC(=O)Nc1ccnc2c1ncc(c2)c3cnn(c3)C	Q96GD4	P28482	6.950781977329818	4.5003129173815966	2.4504690599482215	Different Group
[P28482, Q96GD4]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	Q96GD4	P28482	6.204815410317576	6.129596094720973	0.07521931559660366	Different Group
[P28482, Q96GD4]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(cc3)OC	Q96GD4	P28482	5.651695136951839	5.94692155651658	0.2952264195647407	Different Group
[P28482, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	P28482	6.910094888560602	5.201349354554731	1.708745534005871	Different Group
[P28482, Q96GD4]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	Q96GD4	P28482	5.064492734175287	5.301029995663981	0.23653726148869403	Different Group
[P28482, Q96GD4]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	Q96GD4	P28482	6.767003889607846	6.134896025358872	0.6321078642489741	Different Group
[P28482, Q96GD4]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCc4ccccc4)nc2	Q96GD4	P28482	6.2373214362725635	7.522878745280337	1.2855573090077739	Different Group
[P28482, Q96GD4]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)Nc4ccccc4)nc2	Q96GD4	P28482	5.943095148663527	6.718966632752273	0.7758714840887455	Different Group
[P28482, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	Q96GD4	P28482	8.045757490560675	6.528708288941061	1.5170492016196135	Different Group
[P28482, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	P28482	6.133712660915805	4.0	2.133712660915805	Different Group
[Q02763, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	Q02763	4.366531544420414	4.958607314841775	0.5920757704213608	Different Group
[Q02763, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	Q02763	8.564089641766962	6.671212799645465	1.8928768421214972	Different Group
[Q02763, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	Q02763	5.6777807052660805	4.468521082957745	1.2092596223083358	Different Group
[Q02763, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	Q02763	4.685805534974844	5.841805124463402	1.155999589488558	Different Group
[Q02763, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	Q02763	4.337242168318426	5.2839966563652006	0.9467544880467749	Different Group
[Q02763, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	Q02763	4.698970004336019	5.769551078621726	1.0705810742857071	Different Group
[Q02763, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	Q02763	5.6020599913279625	6.585026652029182	0.9829666607012193	Different Group
[Q02763, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	Q02763	6.301029995663981	6.096910013008056	0.20411998265592501	Different Group
[Q02763, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	Q02763	5.638272163982407	6.221848749616356	0.5835765856339492	Different Group
[Q02763, Q96GD4]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	Q96GD4	Q02763	7.180456064458132	6.130768280269024	1.049687784189108	Different Group
[Q02763, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	Q02763	5.585026652029182	5.7447274948966935	0.15970084286751174	Different Group
[Q96GD4, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	Q9UM73	8.564089641766962	7.948515197953478	0.6155744438134843	Different Group
[Q96GD4, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	Q9UM73	4.214670164989233	6.013228265733755	1.798558100744522	Different Group
[Q96GD4, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	Q9UM73	5.410050398674292	5.6595558851598815	0.24950548648558968	Different Group
[Q96GD4, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCCCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q96GD4	Q9UM73	5.490259984429618	6.001796705901862	0.5115367214722442	Different Group
[Q96GD4, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q96GD4	Q9UM73	6.471083299722345	7.590228032229065	1.1191447325067205	Different Group
[Q96GD4, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NCCOC)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	Q96GD4	Q9UM73	6.245651664288981	6.531969441695006	0.28631777740602526	Different Group
[Q96GD4, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cc(ccc4[nH]n3)Cc5cc(cc(c5)F)F	Q96GD4	Q9UM73	6.315154638355588	6.910353397211313	0.5951987588557257	Different Group
[Q96GD4, Q9UM73]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q96GD4	Q9UM73	4.686132779630847	5.0301183562535	0.3439855766226536	Different Group
[Q96GD4, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	Q9UM73	5.600326278518962	6.7447274948966935	1.144401216377732	Different Group
[Q96GD4, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	Q9UM73	5.137272471682025	6.6020599913279625	1.4647875196459372	Different Group
[Q96GD4, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	Q9UM73	5.060980223551334	5.29929628285498	0.23831605930364663	Different Group
[Q96GD4, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	Q9UM73	4.645891560852599	5.010550182333308	0.36465862148070904	Different Group
[Q96GD4, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q96GD4	Q9UM73	4.419075024324381	5.0301183562535	0.6110433319291193	Different Group
[Q96GD4, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q96GD4	Q9UM73	4.600326278518962	5.1220530483708115	0.52172676985185	Different Group
[Q96GD4, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	Q9UM73	6.040958607678906	5.478861916295964	0.5620966913829424	Different Group
[P31749, Q96GD4]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q96GD4	P31749	4.214670164989233	4.135488918941608	0.07918124604762511	Different Group
[P31749, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	P31749	5.410050398674292	4.315154638355588	1.0948957603187042	Different Group
[P31749, Q96GD4]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	Q96GD4	P31749	5.064492734175287	6.055517327849832	0.9910245936745445	Different Group
[P31749, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	P31749	5.600326278518962	5.667561540084395	0.06723526156543347	Different Group
[P31749, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	P31749	5.137272471682025	5.39040559077478	0.2531331190927544	Different Group
[P31749, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	P31749	5.060980223551334	4.634512015109101	0.4264682084422331	Different Group
[P31749, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	P31749	5.6020599913279625	5.476253533188435	0.12580645813952707	Different Group
[P31749, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	P31749	6.301029995663981	5.721246399047171	0.5797835966168101	Different Group
[P31749, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	P31749	6.040958607678906	5.268411234813262	0.7725473728656445	Different Group
[P31749, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q96GD4	P31749	8.638272163982407	7.958607314841775	0.6796648491406323	Different Group
[P31749, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	P31749	6.133712660915805	4.413412695328245	1.72029996558756	Different Group
[P23443, Q96GD4]	CC(=O)NCC(c1ccccc1OC)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.148741651280925	6.756961951313706	1.3917796999672198	Different Group
[P23443, Q96GD4]	CC(C)N1CCC(CC1)C(=O)Nc2cccc(c2)CNC3=NC=NC4C3=CCC=C4C(=O)N	Q96GD4	P23443	8.721246399047171	6.494850021680094	2.2263963773670774	Different Group
[P23443, Q96GD4]	CC(C)c1cc([nH]n1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.568636235841012	8.010681525807762	1.5579547100332505	Different Group
[P23443, Q96GD4]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	P23443	7.7447274948966935	6.455931955649724	1.2887955392469692	Different Group
[P23443, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)C2(CCC2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.0268721464003	6.3979400086720375	1.6289321377282633	Different Group
[P23443, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.366531544420414	6.0	1.3665315444204138	Different Group
[P23443, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)c2ccnc(c2)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.638272163982407	7.494850021680094	1.1434221423023132	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)C(C(F)(F)F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	7.823908740944319	6.050609993355088	1.773298747589231	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)C2=CCC(C=C2)Br)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.18045606445813	8.18045606445813	1.0	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)C2=CCC(N=C2)Cl)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.397940008672037	8.0	1.3979400086720375	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)C2CC(=O)NC2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.42021640338319	6.161150909262744	1.2590654941204455	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.187086643357144	6.568636235841013	1.6184504075161312	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)CC(F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.3767507096021	6.522878745280337	1.8538719643217618	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2cc(n[nH]2)C(C)(C)C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.886056647693163	8.190557757502274	0.6954988901908887	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)Cl)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.920818753952375	8.0	0.9208187539523749	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)O)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.853871964321762	6.337242168318426	1.5166297960033361	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.315670643803887	7.432433674311612	1.883236969492275	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)O)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.397940008672037	8.431798275933005	0.9661417327390325	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN(C)C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.207608310501746	6.259637310505756	2.9479709999959898	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.481486060122112	7.0054976921507315	1.4759883679713806	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCCO3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	9.050609993355087	7.809894379144197	1.24071561421089	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCO3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	9.366531544420413	8.334286351739628	1.0322451926807847	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.619788758288394	7.6777807052660805	0.9420080530223132	Different Group
[P23443, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccoc2CN3CCOCC3)N	Q96GD4	P23443	7.795880017344075	6.060480747381382	1.7353992699626932	Different Group
[P23443, Q96GD4]	CC(c1cccc2c1cccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.958607314841775	7.375717904164332	0.5828894106774429	Different Group
[P23443, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	P23443	8.564089641766962	9.0	0.4359103582330377	Different Group
[P23443, Q96GD4]	CCC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.301029995663981	6.7447274948966935	2.5563025007672877	Different Group
[P23443, Q96GD4]	CCC(c1cccc(c1)NC(=O)C2CC2(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.267606240177031	6.886056647693163	2.381549592483868	Different Group
[P23443, Q96GD4]	CCC(c1cccc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.853871964321762	8.0268721464003	0.826999817921461	Different Group
[P23443, Q96GD4]	CCN(CC)CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	P23443	8.187086643357144	6.0	2.1870866433571443	Different Group
[P23443, Q96GD4]	CCN(CC)c1ccc(cc1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	10.337242168318426	7.455931955649724	2.8813102126687014	Different Group
[P23443, Q96GD4]	CCOc1cc(ccn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.67778070526608	7.2839966563652006	1.39378404890088	Different Group
[P23443, Q96GD4]	CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	Q96GD4	P23443	8.10790539730952	7.928117992693875	0.17978740461564424	Different Group
[P23443, Q96GD4]	CCn1c(cc(n1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.236572006437063	7.552841968657781	1.6837300377792825	Different Group
[P23443, Q96GD4]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4=CCCC(=c4ncn3)C(=O)N	Q96GD4	P23443	8.721246399047171	8.585026652029182	0.13621974701798933	Different Group
[P23443, Q96GD4]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)N3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.853871964321762	9.167491087293763	0.31361912297200156	Different Group
[P23443, Q96GD4]	CN(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.619788758288394	8.455931955649724	0.1638568026386693	Different Group
[P23443, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.229147988357855	7.568636235841013	0.6605117525168422	Different Group
[P23443, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.638272163982407	7.6777807052660805	0.9604914587163265	Different Group
[P23443, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2cccc(c2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.602059991327963	7.886056647693163	0.7160033436347994	Different Group
[P23443, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccccc2F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.10790539730952	7.6777807052660805	0.4301246920434387	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2cc(ccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.036212172654444	7.42021640338319	0.6159957692712545	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.455931955649724	8.292429823902063	1.163502131747661	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.795880017344075	8.387216143280265	0.40866387406381044	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.657577319177793	7.657577319177793	1.0	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.0	7.318758762624412	1.6812412373755876	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.366531544420413	8.4089353929735	0.04240384855308754	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.721246399047171	6.568636235841013	2.152610163206158	Different Group
[P23443, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(c2cc(n[nH]2)C3CC3)O)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.958607314841775	7.366531544420414	1.5920757704213608	Different Group
[P23443, Q96GD4]	CN(C)CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	P23443	8.275724130399212	6.0	2.2757241303992117	Different Group
[P23443, Q96GD4]	CN(C)CCOc1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	6.7447274948966935	7.259637310505756	0.5149098156090623	Different Group
[P23443, Q96GD4]	CN(C)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.585026652029182	7.91721462968355	0.6678120223456316	Different Group
[P23443, Q96GD4]	CN(C)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.2839966563652	7.931814138253839	1.3521825181113618	Different Group
[P23443, Q96GD4]	CN(C)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.0268721464003	7.8297382846050425	1.1971338617952583	Different Group
[P23443, Q96GD4]	CN(C)c1cccc(n1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.136677139879545	6.866461091629782	2.270216048249763	Different Group
[P23443, Q96GD4]	CN(CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N)CC=C	Q96GD4	P23443	8.744727494896694	7.795880017344075	0.9488474775526186	Different Group
[P23443, Q96GD4]	CN(CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F)CCOC	Q96GD4	P23443	9.0	6.709965388637482	2.2900346113625183	Different Group
[P23443, Q96GD4]	CN(CCO)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.958607314841775	7.6777807052660805	0.28082660957569416	Different Group
[P23443, Q96GD4]	CN(CCOC)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.455931955649724	7.585026652029182	0.8709053036205425	Different Group
[P23443, Q96GD4]	CN1CCN(CC1)CC2CC(=c3c(=C2)c(ncn3)NCc4cccc(c4)NC(=O)C5=CCC(C=C5)OC)C(=O)N	Q96GD4	P23443	7.657577319177793	5.552841968657781	2.104735350520013	Different Group
[P23443, Q96GD4]	CN1CCN(CC1)CCCOc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	Q96GD4	P23443	8.207608310501746	6.860120913598763	1.3474873969029826	Different Group
[P23443, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	7.481486060122113	6.920818753952375	0.560667306169738	Different Group
[P23443, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	6.431798275933005	7.481486060122113	1.049687784189108	Different Group
[P23443, Q96GD4]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	Q96GD4	P23443	8.236572006437063	7.214670164989233	1.0219018414478303	Different Group
[P23443, Q96GD4]	CNC(=O)c1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	5.7447274948966935	6.7544873321858505	1.009759837289157	Different Group
[P23443, Q96GD4]	CNCCOc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.886056647693163	7.443697499232713	0.4423591484604499	Different Group
[P23443, Q96GD4]	CNc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.585026652029182	7.180456064458132	2.40457058757105	Different Group
[P23443, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.508638306165727	7.698970004336019	0.8096683018297082	Different Group
[P23443, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.886056647693163	8.045757490560675	0.8402991571324883	Different Group
[P23443, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.275724130399212	7.2839966563652006	0.9917274740340112	Different Group
[P23443, Q96GD4]	COCCCOC1CC=CC(=C1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.142667503568732	7.443697499232713	0.30102999566398125	Different Group
[P23443, Q96GD4]	COCCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	Q96GD4	P23443	6.769551078621726	7.623423042943488	0.8538719643217618	Different Group
[P23443, Q96GD4]	COCCNc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.698970004336019	7.0655015487564325	0.6334684555795862	Different Group
[P23443, Q96GD4]	COCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	P23443	8.568636235841012	6.0	2.568636235841012	Different Group
[P23443, Q96GD4]	COc1cc(cc(c1)OC)CNc2cncc3c2cccc3C(=O)N	Q96GD4	P23443	8.086186147616283	6.954677021213342	1.1315091264029409	Different Group
[P23443, Q96GD4]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	Q96GD4	P23443	8.769551078621726	8.769551078621726	0.0	Different Group
[P23443, Q96GD4]	COc1ccc(c(c1)OC)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.443697499232712	7.142667503568732	1.3010299956639804	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2ccc3c(c2)CN(CC3)c4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	7.698970004336019	5.853871964321762	1.845098040014257	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.221848749616356	6.6777807052660805	1.5440680443502757	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.55284196865778	6.631403678647631	1.9214382900101494	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.823908740944319	6.456109291095229	2.3677994498490893	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CCCCO	Q96GD4	P23443	7.920818753952375	6.508638306165727	1.412180447786648	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CN5CCOCC5	Q96GD4	P23443	6.853871964321762	5.00436480540245	1.8495071589193115	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CO	Q96GD4	P23443	9.017728766960431	5.508638306165727	3.509090460794704	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncc3C(=O)N)C(=O)N	Q96GD4	P23443	7.886056647693163	5.552841968657781	2.3332146790353825	Different Group
[P23443, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.455931955649724	7.694648630553377	1.7612833250963478	Different Group
[P23443, Q96GD4]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.744727494896694	7.0	1.7447274948966935	Different Group
[P23443, Q96GD4]	COc1ccc(cc1F)C(=O)Nc2cccc(c2)CNc3ccnc4c3cccc4C(=O)N	Q96GD4	P23443	9.301029995663981	7.070581074285707	2.230448921378274	Different Group
[P23443, Q96GD4]	COc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	10.3767507096021	7.468521082957745	2.9082296266443546	Different Group
[P23443, Q96GD4]	COc1ccccc1C(CN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	7.318758762624412	8.244125144327509	0.9253663817030962	Different Group
[P23443, Q96GD4]	COc1ccccc1NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.602059991327963	6.806875401645539	1.7951845896824237	Different Group
[P23443, Q96GD4]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.823908740944319	7.275724130399211	1.5481846105451078	Different Group
[P23443, Q96GD4]	Cc1cc(c(o1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.0268721464003	7.337242168318426	1.689629978081875	Different Group
[P23443, Q96GD4]	Cc1cc(ccc1N2CCOCC2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.657577319177793	6.6777807052660805	1.979796613911713	Different Group
[P23443, Q96GD4]	Cc1cc(ccc1OC)C(N=C2CC(CC=C2)CNc3c4cccc(c4ncn3)C(=O)N)O	Q96GD4	P23443	8.522878745280337	7.522878745280337	1.0	Different Group
[P23443, Q96GD4]	Cc1cc(nn1CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)C(F)(F)F	Q96GD4	P23443	8.356547323513812	6.301029995663981	2.055517327849831	Different Group
[P23443, Q96GD4]	Cc1ccc(cn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.494850021680094	8.154017448616319	1.340832573063775	Different Group
[P23443, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.366531544420413	7.080921907623926	1.2856096367964867	Different Group
[P23443, Q96GD4]	Cc1ccnc(c1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.4089353929735	6.4089353929735005	3.0	Different Group
[P23443, Q96GD4]	Cn1cnc2c1ccnc2Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	7.366531544420414	7.42021640338319	0.05368485896277608	Different Group
[P23443, Q96GD4]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	Q96GD4	P23443	6.795880017344075	6.055517327849832	0.7403626894942432	Different Group
[P23443, Q96GD4]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)N)C(F)(F)F)Cl	Q96GD4	P23443	7.886056647693163	7.140861702705469	0.745194944987694	Different Group
[P23443, Q96GD4]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)NC(=O)c4ccncc4)C(F)(F)F)Cl	Q96GD4	P23443	6.167491087293763	6.448550002027125	0.28105891473336175	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)C(=O)N)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.387216143280265	7.31695296176115	1.0702631815191141	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	P23443	6.958607314841775	5.0	1.9586073148417746	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)C(F)(F)F)CNc2ccnc3c2cccc3C(=O)N	Q96GD4	P23443	7.920818753952375	6.87942606879415	1.0413926851582245	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)F)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.823908740944319	7.5003129173815966	1.323595823562722	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)C2=CC(C(C=C2)Cl)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.327902142064282	7.823908740944319	1.5039934011199634	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)Cc2ccc(cc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.795880017344075	7.037630664329979	1.7582493530140964	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)N2CCCCC2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.657577319177793	6.7594507517174005	1.8981265674603929	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.2518119729938	7.252588192113577	0.9992237808802225	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.958607314841775	8.346787486224656	0.6118198286171186	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	7.6777807052660805	7.721246399047171	0.043465693781090664	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(n[nH]2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.292429823902063	7.42021640338319	1.8722134205188734	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)C(F)(F)F)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.638272163982407	6.6777807052660805	1.9604914587163265	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.522878745280337	7.619788758288394	1.9030899869919438	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.522878745280337	7.835647144215563	0.6872316010647745	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.346787486224656	7.795880017344075	0.5509074688805811	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	Q96GD4	P23443	8.853871964321762	7.6777807052660805	1.1760912590556813	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	9.086186147616283	7.142667503568732	1.9435186440475514	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.148741651280925	8.045757490560675	1.1029841607202506	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	7.958607314841775	7.102372908709558	0.8562344061322165	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	6.481486060122113	7.844663962534939	1.3631779024128257	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)SC(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.920818753952375	6.910094888560602	2.010723865391773	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.455931955649724	8.397940008672037	1.0579919469776868	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.602059991327963	8.455931955649724	1.1461280356782382	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(nc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.337242168318426	7.939302159646388	1.3979400086720375	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(nc2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	9.09151498112135	6.481486060122113	2.6100289209992367	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)CCO3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	9.337242168318426	7.568636235841013	1.7686059324774126	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)OCO3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.920818753952375	8.013228265733755	0.9075904882186201	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)OCCCO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.886056647693163	7.585026652029182	0.30102999566398125	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(n2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.537602002101044	6.701146923590294	1.8364550785107507	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.6020599913279625	7.6020599913279625	0.0	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.67778070526608	7.6777807052660805	1.0	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.638272163982407	7.3872161432802645	1.2510560207021424	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.7447274948966935	7.187086643357144	0.5576408515395492	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(=O)c2cnn3c2CNCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.795880017344075	6.761953896871205	2.03392612047287	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)NC(c2cc(ccc2F)C(F)(F)F)O)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.769551078621726	7.769551078621726	2.0	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)C4CCCNC4	Q96GD4	P23443	7.4089353929735005	5.795880017344075	1.6130553756294255	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)c4ccc(cc4)C(F)(F)F	Q96GD4	P23443	8.327902142064282	6.795880017344075	1.532022124720207	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2cc(ccn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.744727494896694	6.180456064458132	3.564271430438562	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2ccc(cn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.119186407719209	6.552841968657781	2.566344439061428	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2ncc(s2)CN)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	9.130768280269024	6.0	3.1307682802690238	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)Nc2ncccn2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.481486060122112	6.301029995663981	2.180456064458131	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)O)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	5.6020599913279625	7.614393726401688	2.0123337350737254	Different Group
[P23443, Q96GD4]	c1cc(cc(c1)OCCN(CCO)CCO)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	7.055517327849832	5.920818753952375	1.1346985738974569	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)O)C(F)(F)F	Q96GD4	P23443	9.619788758288394	7.636388020107856	1.9834007381805376	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCC(C4)O)C(F)(F)F	Q96GD4	P23443	5.97469413473523	6.728158393463501	0.7534642587282718	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCCC4CO)C(F)(F)F	Q96GD4	P23443	7.568636235841013	6.690369832574102	0.8782664032669114	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCN(CC4)CCO)C(F)(F)F	Q96GD4	P23443	8.397940008672037	6.841637507904751	1.5563025007672868	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCOCC4)C(F)(F)F	Q96GD4	P23443	6.221848749616356	6.6020599913279625	0.38021124171160636	Different Group
[P23443, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCNCCO)C(F)(F)F	Q96GD4	P23443	8.795880017344075	7.221125527997261	1.5747544893468142	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC(=CC=C3)NC=O	Q96GD4	P23443	9.236572006437063	7.376750709602099	1.8598212968349639	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CCCO3	P23443	Q96GD4	5.3655227298392685	8.301029995663981	2.9355072658247128	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(cc(c3)F)F	Q96GD4	P23443	8.4089353929735	7.035269078946371	1.3736663140271297	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)C(F)(F)F)Cl	Q96GD4	P23443	6.301029995663981	8.920818753952375	2.6197887582883936	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)Br)F	Q96GD4	P23443	9.161150909262744	7.853871964321762	1.3072789449409825	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)OC(F)(F)F)F	Q96GD4	P23443	8.744727494896694	6.698970004336019	2.045757490560675	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	Q96GD4	P23443	6.154901959985743	8.602059991327963	2.4471580313422194	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)NC(=O)c4cc(n[nH]4)C(F)(F)F	Q96GD4	P23443	10.346787486224656	7.142667503568732	3.204119982655924	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3F)F	Q96GD4	P23443	9.229147988357855	6.995678626217358	2.2334693621404975	Different Group
[P23443, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc4c(c3)OCO4	Q96GD4	P23443	8.4089353929735	7.565431095965801	0.8435042970076996	Different Group
[P23443, Q96GD4]	c1ccc(c(c1)C(F)(F)F)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.657577319177793	7.328827157284917	0.3287501618928763	Different Group
[P23443, Q96GD4]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)C(F)(F)F	Q96GD4	P23443	8.119186407719209	6.328827157284917	1.7903592504342916	Different Group
[P23443, Q96GD4]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	Q96GD4	P23443	7.040958607678906	7.040958607678906	0.0	Different Group
[P23443, Q96GD4]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	Q96GD4	P23443	6.698970004336019	7.106238237942057	0.4072682336060378	Different Group
[P23443, Q96GD4]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q96GD4	P23443	8.638272163982407	9.1249387366083	0.48666657262589297	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(=O)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	6.376750709602099	6.958607314841775	0.5818566052396754	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	Q96GD4	P23443	8.602059991327963	7.031517051446065	1.5705429398818973	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(CCN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.017728766960431	8.060480747381382	0.04275198042095063	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	8.853871964321762	9.221848749616356	0.3679767852945943	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(CN2CCCC2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	7.795880017344075	7.075720713938118	0.720159303405957	Different Group
[P23443, Q96GD4]	c1ccc(cc1)C(Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N)O	Q96GD4	P23443	8.823908740944319	6.721246399047171	2.1026623418971475	Different Group
[P23443, Q96GD4]	c1ccc(cc1)CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.67778070526608	7.087777943467585	1.5900027617984955	Different Group
[P23443, Q96GD4]	c1ccc(cc1)CNCCNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	P23443	7.638272163982407	6.047691990337875	1.5905801736445317	Different Group
[P23443, Q96GD4]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	Q96GD4	P23443	5.6020599913279625	6.364516253185088	0.7624562618571256	Different Group
[P23443, Q96GD4]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4cccc(c4)NC(=O)c5ccnc(c5)N6CCCC6	Q96GD4	P23443	6.3979400086720375	5.0	1.3979400086720375	Different Group
[P23443, Q96GD4]	c1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	8.823908740944319	6.818156412055227	2.0057523288890913	Different Group
[P23443, Q96GD4]	c1ccc2c(c1)CCCC2Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	6.301029995663981	5.895631561442797	0.40539843422118427	Different Group
[P23443, Q96GD4]	c1ccc2c(c1)cccc2CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	P23443	6.411168274405793	7.211124884224583	0.79995660981879	Different Group
[P23443, Q96GD4]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.301029995663981	6.167491087293763	2.133538908370218	Different Group
[P23443, Q96GD4]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	P23443	8.823908740944319	6.1249387366083	2.6989700043360187	Different Group
[O14965, Q96GD4]	CC(=O)NCC(c1ccccc1OC)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.148741651280925	8.721246399047171	0.5725047477662457	Same Family
[O14965, Q96GD4]	CC(=O)NCc1cccc(c1)c2c3cc(cnc3[nH]c2c4ccc(cc4)OC)Cl	Q96GD4	O14965	5.963770455913705	6.129011186239425	0.16524073032571973	Same Family
[O14965, Q96GD4]	CC(=O)NCc1cccc(c1)c2c3cc(cnc3[nH]c2c4cnn(c4)C)Cl	Q96GD4	O14965	7.013228265733755	6.928117992693875	0.08511027303987984	Same Family
[O14965, Q96GD4]	CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.301029995663981	9.187086643357144	0.11394335230683694	Same Family
[O14965, Q96GD4]	CC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(F)(F)F)O	Q96GD4	O14965	4.661543506395395	5.380906669373258	0.7193631629778627	Same Family
[O14965, Q96GD4]	CC(=O)ON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q96GD4	O14965	5.6777807052660805	5.638272163982407	0.03950854128367354	Same Family
[O14965, Q96GD4]	CC(=O)ON=C1c2ccccc2NC1=C3c4cccc(c4NC3=O)F	Q96GD4	O14965	5.096910013008056	4.698970004336019	0.3979400086720375	Same Family
[O14965, Q96GD4]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q96GD4	O14965	4.366531544420414	4.522878745280337	0.1563472008599236	Same Family
[O14965, Q96GD4]	CC(C)(C)n1c(c(cn1)c2ccnc3c2cc[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	Q96GD4	O14965	7.3979400086720375	5.238824186844268	2.1591158218277693	Same Family
[O14965, Q96GD4]	CC(C)(C)n1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc[nH]5	Q96GD4	O14965	7.301029995663981	5.0885227828938975	2.2125072127700838	Same Family
[O14965, Q96GD4]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	Q96GD4	O14965	7.828566099056991	5.441309425467385	2.387256673589606	Same Family
[O14965, Q96GD4]	CC(C)N1CCC(CC1)C(=O)Nc2cccc(c2)CNC3=NC=NC4C3=CCC=C4C(=O)N	Q96GD4	O14965	8.721246399047171	7.494850021680094	1.2263963773670774	Same Family
[O14965, Q96GD4]	CC(C)c1cc([nH]n1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.568636235841012	10.372363747448347	0.8037275116073346	Same Family
[O14965, Q96GD4]	CC(C)c1cc([nH]n1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.481486060122112	9.920818753952375	0.43933269383026285	Same Family
[O14965, Q96GD4]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	O14965	7.7447274948966935	6.920818753952375	0.8239087409443187	Same Family
[O14965, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)C2(CCC2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.0268721464003	8.795880017344075	0.7690078709437742	Same Family
[O14965, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.366531544420414	7.853871964321762	0.487340419901348	Same Family
[O14965, Q96GD4]	CC(C1=CC(=CCC1)NC(=O)c2ccnc(c2)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.638272163982407	9.275724130399212	0.6374519664168048	Same Family
[O14965, Q96GD4]	CC(C1CNC(=O)O1)Oc2c3c(cc(n2)c4cnn(c4)C(F)F)ncs3	Q96GD4	O14965	6.958607314841775	7.2441251443275085	0.2855178294857339	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)C(C(F)(F)F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	7.823908740944319	8.744727494896694	0.9208187539523749	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)C2=CCC(C=C2)Br)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.18045606445813	9.585026652029182	0.404570587571051	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)C2=CCC(N=C2)Cl)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.397940008672037	8.886056647693163	0.5118833609788744	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)C2CC(=O)NC2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.42021640338319	7.455931955649724	0.035715552266534445	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.187086643357144	9.065501548756432	0.8784149053992873	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)CC(F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.3767507096021	8.508638306165727	0.1318875965636277	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2cc(n[nH]2)C(C)(C)C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.886056647693163	10.309894379144197	1.4238377314510338	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(=O)[nH]c2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.167491087293763	8.568636235841012	0.4011451485472488	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)Cl)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.920818753952375	9.698970004336019	0.7781512503836439	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)O)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.853871964321762	8.0	0.14612803567823818	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.315670643803887	9.744058319510563	0.42838767570667535	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN(C)C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.207608310501746	8.508638306165727	0.6989700043360187	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.481486060122112	8.377243666092925	0.10424239402918722	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCCO3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.050609993355087	8.958607314841775	0.09200267851331212	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCO3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.366531544420413	7.823908740944319	1.5426228034760943	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.619788758288394	9.040958607678906	0.4211698493905125	Same Family
[O14965, Q96GD4]	CC(c1cccc(c1)NC(=O)c2ccoc2CN3CCOCC3)N	Q96GD4	O14965	7.795880017344075	7.6020599913279625	0.19382002601611248	Same Family
[O14965, Q96GD4]	CC(c1cccc2c1cccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.958607314841775	9.18045606445813	1.2218487496163561	Same Family
[O14965, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	O14965	8.564089641766962	8.160579629225387	0.4035100125415756	Same Family
[O14965, Q96GD4]	CC1CCCCN1CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.705533773838407	7.086186147616283	0.38065237377787664	Same Family
[O14965, Q96GD4]	CC1CCCCN1CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NCc5ccccc5	Q96GD4	O14965	6.764471553092451	7.214670164989233	0.45019861189678156	Same Family
[O14965, Q96GD4]	CC1CCN(CC1)CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.634512015109101	6.804100347590766	0.16958833248166538	Same Family
[O14965, Q96GD4]	CC1CCN(CC1)CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NCc5ccccc5	Q96GD4	O14965	6.534617148551582	6.6595558851598815	0.1249387366082999	Same Family
[O14965, Q96GD4]	CCC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.301029995663981	8.744727494896694	0.5563025007672877	Same Family
[O14965, Q96GD4]	CCC(c1cccc(c1)NC(=O)C2CC2(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.267606240177031	8.602059991327963	0.6655462488490684	Same Family
[O14965, Q96GD4]	CCC(c1cccc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.853871964321762	8.958607314841775	0.10473535052001282	Same Family
[O14965, Q96GD4]	CCN(CC)CCCOc1ccc2c(c1)ncnc2Nc3ccc(cc3)NC(=O)NC4CCCCC4	Q96GD4	O14965	6.7544873321858505	6.910094888560602	0.15560755637475143	Same Family
[O14965, Q96GD4]	CCN(CC)CCCOc1ccc2c(c1)ncnc2Nc3ccc(cc3)NC(=O)NCc4ccccc4	Q96GD4	O14965	6.707743928643524	6.892790030352131	0.18504610170860758	Same Family
[O14965, Q96GD4]	CCN(CC)CCOC1CC=C(C=C1)C(Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)O	Q96GD4	O14965	7.229147988357856	8.008773924307505	0.7796259359496487	Same Family
[O14965, Q96GD4]	CCN(CC)CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	O14965	8.187086643357144	8.318758762624412	0.13167211926726807	Same Family
[O14965, Q96GD4]	CCN(CC)Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)S(=O)(=O)C)Cl	Q96GD4	O14965	6.406381691870464	7.108462542327436	0.702080850456972	Same Family
[O14965, Q96GD4]	CCN(CC)Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)SC)Cl	Q96GD4	O14965	7.005243055412372	7.064996848546345	0.05975379313397333	Same Family
[O14965, Q96GD4]	CCN(CC)Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)Sc5ccc(cc5)NC(=O)C6CC6)Cl	Q96GD4	O14965	6.372531727540291	6.604149623981219	0.23161789644092856	Same Family
[O14965, Q96GD4]	CCN(CC)c1ccc(cc1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	10.337242168318426	9.431798275933005	0.9054438923854207	Same Family
[O14965, Q96GD4]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3ccc(cc3)NC(=O)NC4CCCCC4)CCO	Q96GD4	O14965	6.412289034981089	6.505845405981558	0.09355637100046899	Same Family
[O14965, Q96GD4]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3ccc(cc3)NC(=O)NCc4ccccc4)CCO	Q96GD4	O14965	6.24184537803261	6.329754146925876	0.08790876889326604	Same Family
[O14965, Q96GD4]	CCN1CC2=C(C(c3c[nH]c(c3N2)C(=O)OCC)c4ccc(o4)Sc5[nH]c6ccccc6n5)C(=O)C1	Q96GD4	O14965	8.221848749616356	8.096910013008056	0.1249387366082999	Same Family
[O14965, Q96GD4]	CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C	Q96GD4	O14965	6.7543191530828635	6.946395015176066	0.19207586209320215	Same Family
[O14965, Q96GD4]	CCNC(=O)Cn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc[nH]5	Q96GD4	O14965	7.1938200260161125	5.469544156415324	1.7242758696007883	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN(C)C	Q96GD4	O14965	8.769551078621726	7.4089353929735005	1.3606156856482254	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN6CCCC6	Q96GD4	O14965	8.823908740944319	7.376750709602099	1.4471580313422194	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN6CCOCC6	Q96GD4	O14965	8.327902142064282	7.638272163982407	0.6896299780818751	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5cccc(c5)CN(C)C	Q96GD4	O14965	8.522878745280337	6.892790030352131	1.6300887149282062	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5cccc(c5)CN6CCCC6	Q96GD4	O14965	8.853871964321762	7.236572006437063	1.6172999578846987	Same Family
[O14965, Q96GD4]	CCNC(=O)Nc1ccc(cc1)c2c(cn(n2)CC)c3ccnc4c3cc([nH]4)c5cccc(c5)CN6CCOCC6	Q96GD4	O14965	8.301029995663981	7.154901959985743	1.1461280356782382	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CC(CC3=O)(C)C)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	7.508638306165727	7.769551078621726	0.260912772455999	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4cc(cs4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.698970004336019	7.958607314841775	0.7403626894942441	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6c(n5)ccc(c6F)F	Q96GD4	O14965	8.154901959985743	8.0	0.15490195998574308	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6c(n5)cccc6Cl	Q96GD4	O14965	8.154901959985743	8.397940008672037	0.24303804868629442	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6c(n5)cccc6F	Q96GD4	O14965	8.221848749616356	8.397940008672037	0.17609125905568135	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6c(n5)cccn6	Q96GD4	O14965	7.920818753952375	7.508638306165727	0.412180447786648	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6cc(c(c(c6n5)F)F)F	Q96GD4	O14965	8.154901959985743	7.657577319177793	0.4973246408079497	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6cc(c(cc6n5)F)F	Q96GD4	O14965	8.221848749616356	7.657577319177793	0.5642714304385628	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6cc(cc(c6n5)F)F	Q96GD4	O14965	8.397940008672037	8.096910013008056	0.30102999566398125	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6ccc(cc6n5)Cl	Q96GD4	O14965	8.0	7.468521082957745	0.5314789170422554	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6ccc(cc6n5)F	Q96GD4	O14965	7.958607314841775	7.823908740944319	0.134698573897456	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6cccc(c6n5)N	Q96GD4	O14965	7.6020599913279625	7.221848749616356	0.38021124171160636	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6cccc(c6n5)O	Q96GD4	O14965	8.096910013008056	7.6020599913279625	0.49485002168009373	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(s4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	6.7447274948966935	5.638272163982407	1.1064553309142866	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4cccc(c4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.154901959985743	7.154901959985743	1.0	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4cccc(n4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.154901959985743	7.508638306165727	0.6462636538200162	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccnc(c4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	5.958607314841775	5.2839966563652006	0.6746106584765741	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CN(CC3=O)C(=O)CN)c4ccc(o4)Sc5[nH]c6cccc(c6n5)F	Q96GD4	O14965	8.698970004336019	7.823908740944319	0.8750612633917001	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CN(CC3=O)C(=O)CN)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.397940008672037	7.698970004336019	0.6989700043360187	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CN(CC3=O)C(=O)OC(C)(C)C)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	7.585026652029182	8.221848749616356	0.6368220975871743	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CN(CC3=O)Cc4ccccc4)c5ccc(o5)Sc6[nH]c7ccccc7n6	Q96GD4	O14965	8.096910013008056	7.958607314841775	0.1383026981662816	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CNCC3=O)c4ccc(o4)Sc5[nH]c6c(n5)cccc6Cl	Q96GD4	O14965	8.301029995663981	7.657577319177793	0.6434526764861879	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CNCC3=O)c4ccc(o4)Sc5[nH]c6cccc(c6n5)F	Q96GD4	O14965	8.522878745280337	7.6777807052660805	0.8450980400142569	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(c[nH]1)C(C3=C(N2)CNCC3=O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[O14965, Q96GD4]	CCOC(=O)c1c2c(n[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	7.481486060122113	6.151195298948196	1.3302907611739165	Same Family
[O14965, Q96GD4]	CCOC(=O)c1cnc(s1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.698970004336019	9.795880017344075	1.0969100130080562	Same Family
[O14965, Q96GD4]	CCOc1cc(ccn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.67778070526608	9.327902142064282	0.6501214367982016	Same Family
[O14965, Q96GD4]	CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	Q96GD4	O14965	8.10790539730952	9.200659450546418	1.0927540532368987	Same Family
[O14965, Q96GD4]	CCOc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.744727494896694	9.886056647693163	1.1413291527964695	Same Family
[O14965, Q96GD4]	CCc1cccc(c1NC(=O)N2Cc3c([nH]nc3NC(=O)c4ccc(cc4)N5CCN(CC5)C)C2)CC	Q96GD4	O14965	6.8696662315049934	7.568636235841013	0.6989700043360196	Same Family
[O14965, Q96GD4]	CCc1ccccc1C(C(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)N(C)C	Q96GD4	O14965	6.318758762624412	6.3979400086720375	0.07918124604762511	Same Family
[O14965, Q96GD4]	CCn1c(c(cn1)c2ccnc3c2cc[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	Q96GD4	O14965	7.6020599913279625	5.251811972993799	2.350248018334163	Same Family
[O14965, Q96GD4]	CCn1c(cc(n1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.236572006437063	8.537602002101044	0.6989700043360187	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN(C)C	Q96GD4	O14965	8.443697499232712	6.289036881004725	2.1546606182279877	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN6CCCC6	Q96GD4	O14965	8.346787486224656	6.382999658879101	1.9637878273455547	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5ccc(cc5)CN6CCOCC6	Q96GD4	O14965	8.09151498112135	6.6020599913279625	1.489454989793387	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5cccc(c5)CN(C)C	Q96GD4	O14965	8.301029995663981	5.899974269892137	2.401055725771844	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5cccc(c5)CN6CCCC6	Q96GD4	O14965	8.67778070526608	6.436518914605589	2.2412617906604915	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)N(C)C)c3ccnc4c3cc([nH]4)c5cccc(c5)CN6CCOCC6	Q96GD4	O14965	8.327902142064282	6.305394801066432	2.0225073409978505	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)C(=O)NCCCN6CCN(CC6)C	Q96GD4	O14965	8.096910013008056	6.642065152999546	1.4548448600085102	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)C(=O)NCCN6CCN(CC6)C	Q96GD4	O14965	8.301029995663981	6.692503962086787	1.6085260335771938	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)C(=O)NCCN6CCOCC6	Q96GD4	O14965	8.301029995663981	6.705533773838407	1.5954962218255746	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CN(C)C	Q96GD4	O14965	7.236572006437063	5.769295686387431	1.4672763200496322	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CNCCCN6CCN(CC6)C	Q96GD4	O14965	7.080921907623926	5.291494119044763	1.7894277885791636	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CNCCN(C)C	Q96GD4	O14965	6.559090917934783	5.261457259071215	1.2976336588635675	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CNCCN6CCOCC6	Q96GD4	O14965	7.657577319177793	5.6117211365403605	2.045856182637433	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CNCCO	Q96GD4	O14965	7.337242168318426	5.5499049241283975	1.7873372441900282	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)CNCCS(=O)(=O)C	Q96GD4	O14965	7.619788758288394	6.2373214362725635	1.3824673220158301	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6cc(ccc6C)CN(C)C	Q96GD4	O14965	7.221848749616356	6.94692155651658	0.2749271930997761	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6ccc(cc6)CN(C)C	Q96GD4	O14965	7.638272163982407	7.346787486224656	0.2914846777577509	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6ccc(cc6)CN7CCOCC7	Q96GD4	O14965	7.180456064458132	7.229147988357856	0.04869192389972454	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6ccc(cc6)NC(=O)C	Q96GD4	O14965	7.356547323513813	7.2076083105017466	0.14893901301206647	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6ccc(cc6C)CN(C)C	Q96GD4	O14965	7.585026652029182	7.376750709602099	0.20827594242708258	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6cccc(c6)CN(C)C	Q96GD4	O14965	7.698970004336019	7.275724130399211	0.4232458739368079	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6cccc(c6)CN7CCCC7	Q96GD4	O14965	7.958607314841775	7.657577319177793	0.30102999566398125	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6cccc(c6)CN7CCOCC7	Q96GD4	O14965	7.2441251443275085	7.026872146400302	0.21725299792720687	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc([nH]5)c6cccc(c6)NC(=O)C	Q96GD4	O14965	7.356547323513813	6.8996294548824375	0.4569178686313755	Same Family
[O14965, Q96GD4]	CCn1cc(c(n1)c2ccc(cc2)NC(=O)Nc3ccccc3)c4ccnc5c4cc[nH]5	Q96GD4	O14965	8.698970004336019	6.199970640755866	2.498999363580153	Same Family
[O14965, Q96GD4]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4=CCCC(=c4ncn3)C(=O)N	Q96GD4	O14965	8.721246399047171	8.886056647693163	0.16481024864599192	Same Family
[O14965, Q96GD4]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)N3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.853871964321762	9.568636235841012	0.7147642715192504	Same Family
[O14965, Q96GD4]	CN(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.619788758288394	6.886056647693163	1.7337321105952306	Same Family
[O14965, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.229147988357855	8.958607314841775	0.7294593264839193	Same Family
[O14965, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.638272163982407	8.853871964321762	0.21559980033935489	Same Family
[O14965, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2cccc(c2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.602059991327963	8.4089353929735	0.19312459835446205	Same Family
[O14965, Q96GD4]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccccc2F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.10790539730952	7.721246399047171	0.38665899826234806	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2cc(ccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.036212172654444	8.259637310505756	0.22342513785131146	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.455931955649724	9.920818753952375	0.46488679830265056	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.795880017344075	9.00436480540245	0.20848478805837445	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.657577319177793	9.3767507096021	0.7191733904243058	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.0	9.09151498112135	0.09151498112134959	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.366531544420413	8.638272163982407	0.271740619561994	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.721246399047171	9.744727494896694	1.0234810958495224	Same Family
[O14965, Q96GD4]	CN(C)CCC(c1cccc(c1)NC(c2cc(n[nH]2)C3CC3)O)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.958607314841775	9.356547323513812	0.3979400086720375	Same Family
[O14965, Q96GD4]	CN(C)CCCOC1CC=C(C=C1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.568636235841013	8.18045606445813	0.6118198286171177	Same Family
[O14965, Q96GD4]	CN(C)CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	O14965	8.275724130399212	8.958607314841775	0.6828831844425629	Same Family
[O14965, Q96GD4]	CN(C)CCOc1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.7447274948966935	7.292429823902063	0.5477023290053697	Same Family
[O14965, Q96GD4]	CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5	Q96GD4	O14965	7.275724130399211	7.619788758288394	0.3440646278891828	Same Family
[O14965, Q96GD4]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	Q96GD4	O14965	5.769551078621726	5.494850021680094	0.27470105694163216	Same Family
[O14965, Q96GD4]	CN(C)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.585026652029182	8.823908740944319	0.23888208891513685	Same Family
[O14965, Q96GD4]	CN(C)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.2839966563652	9.958607314841775	0.6746106584765741	Same Family
[O14965, Q96GD4]	CN(C)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.0268721464003	9.013228265733755	0.013643880666545982	Same Family
[O14965, Q96GD4]	CN(C)c1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4=CCCC(=c4ncn3)C(=O)N	Q96GD4	O14965	8.769551078621726	9.657577319177793	0.8880262405560675	Same Family
[O14965, Q96GD4]	CN(C)c1cccc(n1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.136677139879545	8.200659450546418	0.9360176893331271	Same Family
[O14965, Q96GD4]	CN(CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N)CC=C	Q96GD4	O14965	8.744727494896694	9.795880017344075	1.0511525224473814	Same Family
[O14965, Q96GD4]	CN(CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F)CCOC	Q96GD4	O14965	9.0	8.455931955649724	0.5440680443502757	Same Family
[O14965, Q96GD4]	CN(CCO)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.958607314841775	9.161150909262744	1.2025435944209697	Same Family
[O14965, Q96GD4]	CN(CCOC)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.455931955649724	8.301029995663981	0.15490195998574308	Same Family
[O14965, Q96GD4]	CN(Cc1cccc(c1)NC(=O)c2ccc(cc2)OC)c3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.886056647693163	8.481486060122112	0.595429412428949	Same Family
[O14965, Q96GD4]	CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)NC4CCCC4)F	Q96GD4	O14965	6.403402904373539	7.366531544420414	0.9631286400468744	Same Family
[O14965, Q96GD4]	CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3ncc(c(n3)NC4CCCC4)Br	Q96GD4	O14965	6.366531544420414	7.920818753952375	1.554287209531961	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)CC2CC(=c3c(=C2)c(ncn3)NCc4cccc(c4)NC(=O)C5=CCC(C=C5)OC)C(=O)N	Q96GD4	O14965	7.657577319177793	7.161150909262744	0.49642640991504905	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)CCCOc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	8.207608310501746	8.167491087293763	0.04011722320798228	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.497572880015567	6.694648630553377	0.19707575053780957	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)CCCOc2ccc3c(c2)ncnc3Nc4ccc(cc4)NC(=O)NCc5ccccc5	Q96GD4	O14965	6.539102157243452	6.709965388637482	0.17086323139402992	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.481486060122113	8.136677139879543	0.6551910797574303	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q96GD4	O14965	6.910094888560602	6.966576244513051	0.05648135595244863	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q96GD4	O14965	6.471083299722345	6.667561540084395	0.1964782403620502	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)F	Q96GD4	O14965	6.522878745280337	8.045757490560675	1.5228787452803374	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)O	Q96GD4	O14965	7.318758762624412	8.221848749616356	0.9030899869919438	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.468521082957745	7.920818753952375	0.45229767099463025	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	6.431798275933005	7.3979400086720375	0.9661417327390325	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	Q96GD4	O14965	8.236572006437063	8.468521082957745	0.23194907652068153	Same Family
[O14965, Q96GD4]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	Q96GD4	O14965	6.6777807052660805	6.431798275933005	0.24598242933307546	Same Family
[O14965, Q96GD4]	CNC(=O)c1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	5.7447274948966935	5.920818753952375	0.17609125905568135	Same Family
[O14965, Q96GD4]	CNCCOc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.886056647693163	7.698970004336019	0.1870866433571443	Same Family
[O14965, Q96GD4]	CNc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.585026652029182	9.161150909262744	0.42387574276643747	Same Family
[O14965, Q96GD4]	CNc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.823908740944319	8.0	0.17609125905568135	Same Family
[O14965, Q96GD4]	COC(=O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Q96GD4	O14965	8.698970004336019	8.698970004336019	0.0	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CCNc4c5c(ccs5)ncn4	Q96GD4	O14965	6.438898616350944	5.527243550682788	0.9116550656681559	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CCNc4ncccn4	Q96GD4	O14965	4.818156412055227	5.115204636051019	0.2970482239957919	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CNc4c5c(ccs5)ncn4	Q96GD4	O14965	4.696803942579511	6.096367483915762	1.399563541336251	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CNc4ccccc4	Q96GD4	O14965	4.437707135543525	5.288192770958809	0.8504856354152839	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CNc4ccccn4	Q96GD4	O14965	4.493494967595128	5.191789027075778	0.6982940594806504	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CNc4nc5ccccc5o4	Q96GD4	O14965	4.991399828238082	5.453457336521869	0.4620575082837872	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)CNc4ncccn4	Q96GD4	O14965	4.39040559077478	4.8124792791635365	0.4220736883887568	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)c4ccc5c(c4)OCO5	Q96GD4	O14965	5.6595558851598815	6.195179321278838	0.5356234361189562	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)c4ccc5c(c4)nccn5	Q96GD4	O14965	5.136677139879544	6.2168113089247425	1.0801341690451984	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)c4cccc(c4)[N+](=O)[O-]	Q96GD4	O14965	5.876148359032914	6.546681659952962	0.6705333009200478	Same Family
[O14965, Q96GD4]	COC(=O)c1cccc(c1)c2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(F)(F)F)O	Q96GD4	O14965	4.199282921717615	5.739928612014925	1.5406456902973096	Same Family
[O14965, Q96GD4]	COC(=O)c1csc2c1NC3=C(C2c4ccc(o4)Sc5[nH]c6ccccc6n5)C(=O)CCC3	Q96GD4	O14965	8.301029995663981	7.958607314841775	0.3424226808222066	Same Family
[O14965, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.508638306165727	9.698970004336019	1.1903316981702918	Same Family
[O14965, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.886056647693163	9.744727494896694	0.8586708472035305	Same Family
[O14965, Q96GD4]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.275724130399212	10.301029995663981	2.0253058652647695	Same Family
[O14965, Q96GD4]	COCCCOC1CC=CC(=C1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.142667503568732	8.346787486224656	1.2041199826559241	Same Family
[O14965, Q96GD4]	COCCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	Q96GD4	O14965	6.769551078621726	7.107905397309519	0.3383543186877933	Same Family
[O14965, Q96GD4]	COCCNC(=O)c1ccc(cc1)Nc2nccc(n2)Nc3ccccc3Cl	Q96GD4	O14965	6.0	6.0	0.0	Same Family
[O14965, Q96GD4]	COCCNc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.698970004336019	8.148741651280925	0.4497716469449067	Same Family
[O14965, Q96GD4]	COCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	Q96GD4	O14965	8.568636235841012	10.221848749616356	1.653212513775344	Same Family
[O14965, Q96GD4]	COCCOc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.7447274948966935	9.0	1.2552725051033065	Same Family
[O14965, Q96GD4]	COCCOc1ccccc1C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.154901959985743	8.136677139879543	0.9817751798938001	Same Family
[O14965, Q96GD4]	CON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q96GD4	O14965	5.522878745280337	5.366531544420414	0.1563472008599236	Same Family
[O14965, Q96GD4]	COc1cc(c(c(c1)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	Q96GD4	O14965	9.657577319177793	9.958607314841775	0.30102999566398125	Same Family
[O14965, Q96GD4]	COc1cc(c(cc1c2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(F)(F)F)O)Cl)OC	Q96GD4	O14965	4.496209316942819	6.142667503568732	1.646458186625913	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1)OC)CNc2cncc3c2cccc3C(=O)N	Q96GD4	O14965	8.086186147616283	8.142667503568731	0.05648135595244774	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1)OC)c2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(=O)OC)O	Q96GD4	O14965	5.336165264187466	6.273218527950746	0.9370532637632802	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1)OC)c2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)Cl)O	Q96GD4	O14965	4.323306390375134	5.723538195826756	1.4002318054516225	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O14965	5.6777807052660805	5.494850021680094	0.18293068358598674	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	O14965	4.685805534974844	5.135985522789741	0.4501799878148969	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q96GD4	O14965	4.337242168318426	4.795880017344075	0.4586378490256493	Same Family
[O14965, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q96GD4	O14965	4.698970004336019	5.187086643357144	0.48811663902112556	Same Family
[O14965, Q96GD4]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	Q96GD4	O14965	8.769551078621726	9.397940008672037	0.6283889300503116	Same Family
[O14965, Q96GD4]	COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	Q96GD4	O14965	5.903089986991944	6.405607449624573	0.5025174626326292	Same Family
[O14965, Q96GD4]	COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	Q96GD4	O14965	6.996340468310191	6.8156064319183125	0.18073403639187813	Same Family
[O14965, Q96GD4]	COc1ccc(c(c1)OC)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.443697499232712	9.113509274827518	0.6698117755948054	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)NCc2cccc(c2)Nc3c4cc(cc(c4ncn3)C(=O)N)O	Q96GD4	O14965	8.060480747381382	6.958607314841775	1.1018734325396071	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2ccc(c(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	Q96GD4	O14965	8.568636235841012	8.537602002101044	0.03103423373996783	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2ccc3c(c2)CN(CC3)c4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.698970004336019	7.721246399047171	0.022276394711152392	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.221848749616356	8.229147988357855	0.007299238741499181	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.55284196865778	9.110707336068518	0.5578653674107379	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.823908740944319	9.113106777509403	0.28919803656508414	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CCCCO	Q96GD4	O14965	7.920818753952375	9.698970004336019	1.7781512503836439	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CN5CCOCC5	Q96GD4	O14965	6.853871964321762	7.568636235841013	0.7147642715192513	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CO	Q96GD4	O14965	9.017728766960431	9.236572006437063	0.21884323947663198	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)O	Q96GD4	O14965	9.221848749616356	9.920818753952375	0.6989700043360187	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncc3C(=O)N)C(=O)N	Q96GD4	O14965	7.886056647693163	7.443697499232713	0.4423591484604499	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.455931955649724	9.537602002101044	0.08167004645132003	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O14965	5.309803919971486	4.795880017344075	0.5139239026274112	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	Q96GD4	O14965	7.5386515663520175	6.244018488604927	1.2946330777470907	Same Family
[O14965, Q96GD4]	COc1ccc(cc1)c2c(c3cc(cnc3[nH]2)Cl)c4cccc(c4)CNS(=O)(=O)C	Q96GD4	O14965	5.149047600206507	5.711974464611637	0.5629268644051297	Same Family
[O14965, Q96GD4]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.744727494896694	9.920818753952375	1.1760912590556813	Same Family
[O14965, Q96GD4]	COc1ccc(cc1F)C(=O)Nc2cccc(c2)CNc3ccnc4c3cccc4C(=O)N	Q96GD4	O14965	9.301029995663981	9.136677139879545	0.16435285578443626	Same Family
[O14965, Q96GD4]	COc1ccc(cc1OC)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.508638306165727	9.508638306165727	0.0	Same Family
[O14965, Q96GD4]	COc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	10.3767507096021	9.18045606445813	1.1962946451439684	Same Family
[O14965, Q96GD4]	COc1ccc2c(c1)sc(n2)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.795880017344075	8.638272163982407	0.842392146638332	Same Family
[O14965, Q96GD4]	COc1cccc(c1C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4)F	Q96GD4	O14965	9.0	8.522878745280337	0.4771212547196626	Same Family
[O14965, Q96GD4]	COc1cccc(c1C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)OC	Q96GD4	O14965	8.008773924307505	8.267606240177031	0.25883231586952604	Same Family
[O14965, Q96GD4]	COc1cccc(c1C2=NCc3cnc(nc3-c4c2c(ccc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	Q96GD4	O14965	7.045757490560675	9.221848749616356	2.1760912590556813	Same Family
[O14965, Q96GD4]	COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F	Q96GD4	O14965	5.6020599913279625	7.7447274948966935	2.142667503568731	Same Family
[O14965, Q96GD4]	COc1ccccc1C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	Q96GD4	O14965	8.698970004336019	8.154901959985743	0.5440680443502757	Same Family
[O14965, Q96GD4]	COc1ccccc1C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.337242168318426	9.431798275933005	1.0945561076145793	Same Family
[O14965, Q96GD4]	COc1ccccc1C(CN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	7.318758762624412	5.823908740944319	1.4948500216800937	Same Family
[O14965, Q96GD4]	COc1ccccc1NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.602059991327963	8.585026652029182	0.017033339298780703	Same Family
[O14965, Q96GD4]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.823908740944319	8.853871964321762	0.02996322337744317	Same Family
[O14965, Q96GD4]	CS(=O)(=O)c1nc(cc(n1)Cl)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)CN5CCOCC5	Q96GD4	O14965	8.657577319177793	7.539102157243452	1.1184751619343416	Same Family
[O14965, Q96GD4]	CSc1nc(cc(n1)Cl)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)CN5CCOCC5	Q96GD4	O14965	6.841939206063395	7.1432711096171175	0.30133190355372275	Same Family
[O14965, Q96GD4]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	Q96GD4	O14965	8.229147988357855	6.692503962086787	1.5366440262710679	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N(C)Cc4ccccc4	Q96GD4	O14965	6.772113295386326	6.5934598195660445	0.17865347582028157	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCC(C4)CNC(=O)C	Q96GD4	O14965	8.154901959985743	8.045757490560675	0.10914446942506828	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCCC(C4)CN(C)S(=O)(=O)C	Q96GD4	O14965	8.045757490560675	8.301029995663981	0.25527250510330646	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCCC(C4)CNS(=O)(=O)C	Q96GD4	O14965	7.933230545814891	8.227965977824862	0.2947354320099711	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CCN(CC4)Cc5ccc(cc5)Cl	Q96GD4	O14965	6.8297382846050425	7.471547574331764	0.6418092897267211	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Nc4ccc(cc4)C(=O)Nc5ccccc5	Q96GD4	O14965	5.057636860490362	6.809894379144197	1.7522575186538347	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)N5CCCC5	Q96GD4	O14965	5.740645072691966	7.346787486224656	1.60614241353269	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)NC5CCC5	Q96GD4	O14965	5.065940043768428	7.474169400054258	2.4082293562858297	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)NCc5ccccc5	Q96GD4	O14965	5.407823242604133	6.690369832574102	1.2825465899699688	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)Nc5ccccc5	Q96GD4	O14965	4.5394833898810285	7.217307516268037	2.6778241263870086	Same Family
[O14965, Q96GD4]	Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)Oc4ccc(cc4)C(=O)Nc5ccncc5	Q96GD4	O14965	5.083605784129217	6.478909202742117	1.3953034186129	Same Family
[O14965, Q96GD4]	Cc1cc([nH]n1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.638272163982407	9.327902142064282	0.6896299780818751	Same Family
[O14965, Q96GD4]	Cc1cc(c(o1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.0268721464003	8.795880017344075	0.2309921290562258	Same Family
[O14965, Q96GD4]	Cc1cc(ccc1N2CCOCC2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.657577319177793	9.522878745280337	0.865301426102544	Same Family
[O14965, Q96GD4]	Cc1cc(ccc1OC)C(N=C2CC(CC=C2)CNc3c4cccc(c4ncn3)C(=O)N)O	Q96GD4	O14965	8.522878745280337	9.698970004336019	1.1760912590556813	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)NCc2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(=O)OC)O	Q96GD4	O14965	4.305394801066432	4.863279432843593	0.5578846317771617	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4Cl)Cl)C(=O)O)F	Q96GD4	O14965	6.853871964321762	9.397940008672037	2.5440680443502757	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)C(F)(F)F)C(=O)O)F	Q96GD4	O14965	6.468521082957745	9.301029995663981	2.8325089127062366	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)N5CCC5)F	Q96GD4	O14965	6.055517327849832	9.0	2.9444826721501682	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)NC)F	Q96GD4	O14965	6.337242168318426	9.045757490560675	2.708515322242249	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)NC5CC5)F	Q96GD4	O14965	6.045757490560675	9.045757490560675	3.0	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)O)Cl	Q96GD4	O14965	6.585026652029182	9.397940008672037	2.8129133566428557	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)O)F	Q96GD4	O14965	6.7447274948966935	9.397940008672037	2.653212513775344	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)C(=O)O)OC	Q96GD4	O14965	6.031517051446065	9.221848749616356	3.190331698170291	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)c5nc(no5)C)F	Q96GD4	O14965	6.4089353929735005	9.096910013008056	2.687974620034556	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)c5nc(on5)C)F	Q96GD4	O14965	6.42021640338319	9.154901959985743	2.734685556602553	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)c5ncon5)F	Q96GD4	O14965	6.721246399047171	9.301029995663981	2.57978359661681	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c(ccc(n2)CC3(CCN(CC3)C(=O)c4cccc(c4F)Cl)c5nnc(o5)C)F	Q96GD4	O14965	6.346787486224656	9.154901959985743	2.808114473761087	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c3cccn3nc(n2)Sc4ccc(cc4)NC(=O)CN5CCC(C5)C(=O)N6CCC(C6)(F)F	Q96GD4	O14965	8.214670164989233	9.0	0.7853298350107671	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2c3cccn3nc(n2)Sc4ccc(cc4)NC(=O)CN5CCC(C5)C(=O)NC6CCCC6	Q96GD4	O14965	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[O14965, Q96GD4]	Cc1cc(n[nH]1)Nc2cc(nc(n2)C=Cc3ccccc3)N4CCN(CC4)C	Q96GD4	O14965	6.496766978875384	7.853871964321762	1.3571049854463775	Same Family
[O14965, Q96GD4]	Cc1cc(nn1CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)C(F)(F)F	Q96GD4	O14965	8.356547323513812	7.721246399047171	0.635300924466641	Same Family
[O14965, Q96GD4]	Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3nc([nH]4)N5CCN(CC5)C)Br	Q96GD4	O14965	7.6020599913279625	7.823908740944319	0.22184874961635614	Same Family
[O14965, Q96GD4]	Cc1cc(no1)NCc2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(=O)OC)O	Q96GD4	O14965	4.261219441515631	4.906578314837765	0.6453588733221345	Same Family
[O14965, Q96GD4]	Cc1cc(on1)NC(=O)c2ccc(cc2)Oc3c(cnc4c3nc([nH]4)c5cn(nc5C)C)Cl	Q96GD4	O14965	5.733209923055481	7.085509022996039	1.3522990999405575	Same Family
[O14965, Q96GD4]	Cc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	Q96GD4	O14965	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[O14965, Q96GD4]	Cc1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3cccc4c3c(no4)N	Q96GD4	O14965	8.397940008672037	6.23210238398191	2.165837624690128	Same Family
[O14965, Q96GD4]	Cc1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3ccn4c3c(ncn4)N	Q96GD4	O14965	9.0	7.337242168318426	1.6627578316815743	Same Family
[O14965, Q96GD4]	Cc1ccc(cc1CNc2c3cccc(c3ncn2)C(=O)N)NC(=O)c4ccc(cc4)OC	Q96GD4	O14965	7.494850021680094	8.040958607678906	0.5461085859988124	Same Family
[O14965, Q96GD4]	Cc1ccc(cc1NC(=O)c2ccc(cc2)OC)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.096910013008056	9.481486060122112	0.3845760471140558	Same Family
[O14965, Q96GD4]	Cc1ccc(cn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.494850021680094	9.296729909783021	0.19812011189707235	Same Family
[O14965, Q96GD4]	Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)C)Cl	Q96GD4	O14965	6.858236769724212	7.040481623027002	0.18224485330279006	Same Family
[O14965, Q96GD4]	Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)S(=O)(=O)C)Cl	Q96GD4	O14965	8.638272163982407	7.345823458122039	1.2924487058603678	Same Family
[O14965, Q96GD4]	Cc1ccc2c(c1)nc([nH]2)c3c(c[nH]n3)Nc4cc(nc(n4)SC)Cl	Q96GD4	O14965	6.635824367229381	6.493089274448482	0.14273509278089858	Same Family
[O14965, Q96GD4]	Cc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	10.214670164989233	9.769551078621726	0.44511908636750697	Same Family
[O14965, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	Q96GD4	O14965	7.42021640338319	6.767003889607846	0.653212513775344	Same Family
[O14965, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	Q96GD4	O14965	8.073657553374344	6.4470885497834916	1.6265690035908529	Same Family
[O14965, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	Q96GD4	O14965	7.9503943874050265	6.605005790081489	1.345388597323537	Same Family
[O14965, Q96GD4]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.366531544420413	8.67778070526608	0.31124916084566756	Same Family
[O14965, Q96GD4]	Cc1ccccc1C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.920818753952375	10.0	1.079181246047625	Same Family
[O14965, Q96GD4]	Cc1ccnc(c1)NCc2cn(nn2)c3ccc(c(c3)C(=O)Nc4cccc(c4)C(=O)OC)O	Q96GD4	O14965	4.787812395596042	5.2168113089247425	0.42899891332870066	Same Family
[O14965, Q96GD4]	Cc1ccnc(c1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.4089353929735	9.070581074285707	0.3383543186877933	Same Family
[O14965, Q96GD4]	Cc1nc(cc(n1)Cl)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)CN5CCOCC5	Q96GD4	O14965	7.037157318798758	7.164309428507575	0.12715210970881685	Same Family
[O14965, Q96GD4]	Cc1nc(no1)c2cccc(c2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.301029995663981	8.769551078621726	0.5314789170422554	Same Family
[O14965, Q96GD4]	Cn1c2cccc(c2c(n1)N)C(=O)Nc3cccc(c3)CNC(=O)Nc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	6.764471553092451	4.903089986991944	1.8613815661005075	Same Family
[O14965, Q96GD4]	Cn1c2cccc(c2c(n1)N)C(=O)Nc3cccc(c3)CNC(=O)Nc4cccc(c4)F	Q96GD4	O14965	6.027797161620936	4.903089986991944	1.124707174628992	Same Family
[O14965, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	O14965	5.008773924307505	5.494850021680094	0.48607609737258883	Same Family
[O14965, Q96GD4]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	Q96GD4	O14965	7.376750709602099	8.522878745280337	1.1461280356782382	Same Family
[O14965, Q96GD4]	Cn1cc(cn1)c2c(c3cc(cnc3[nH]2)Cl)c4cccc(c4)CNS(=O)(=O)C	Q96GD4	O14965	6.355561410532162	6.675717544702307	0.3201561341701451	Same Family
[O14965, Q96GD4]	Cn1cnc2c1ccnc2Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.366531544420414	8.292429823902063	0.9258982794816495	Same Family
[O14965, Q96GD4]	Cn1cncc1c2cc3cnc(cc3[nH]2)Nc4ccccc4OC	Q96GD4	O14965	4.327902142064283	4.142667503568732	0.185234638495551	Same Family
[O14965, Q96GD4]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	Q96GD4	O14965	6.795880017344075	6.1938200260161125	0.6020599913279625	Same Family
[O14965, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	O14965	5.6020599913279625	5.605548319173784	0.003488327845821537	Same Family
[O14965, Q96GD4]	c1c2cc(c(c1Oc3c(cc(cc3Br)CCNC(=O)C(=NO)Cc4cc(c(c(c4)Br)O)Oc5c(cc(cc5Br)CC(=NO)C(=O)NCC2)Br)Br)O)Br	Q96GD4	O14965	5.5376020021010435	5.769551078621726	0.23194907652068242	Same Family
[O14965, Q96GD4]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	Q96GD4	O14965	7.6020599913279625	6.258139605934736	1.3439203853932264	Same Family
[O14965, Q96GD4]	c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F	Q96GD4	O14965	5.306772951257182	6.924346468822515	1.617573517565333	Same Family
[O14965, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	O14965	6.301029995663981	7.0	0.6989700043360187	Same Family
[O14965, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	O14965	5.638272163982407	5.585026652029182	0.05324551195322513	Same Family
[O14965, Q96GD4]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)N)C(F)(F)F)Cl	Q96GD4	O14965	7.886056647693163	8.309803919971486	0.4237472722783231	Same Family
[O14965, Q96GD4]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)NC(=O)c4ccncc4)C(F)(F)F)Cl	Q96GD4	O14965	6.167491087293763	6.022276394711152	0.145214692582611	Same Family
[O14965, Q96GD4]	c1cc(c2cc1CCNC(=O)C(=NO)Cc3cc(c(c(c3)Br)Oc4cc(cc(c4O)Br)CC(=NO)C(=O)NCCc5cc(c(c(c5)Br)O2)Br)Br)O	Q96GD4	O14965	5.795880017344075	5.886056647693163	0.09017663034908807	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)C(=O)N)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.387216143280265	7.886056647693163	0.5011594955871015	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	Q96GD4	O14965	6.958607314841775	6.130768280269024	0.8278390345727509	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)C(F)(F)F)CNc2ccnc3c2cccc3C(=O)N	Q96GD4	O14965	7.920818753952375	8.4089353929735	0.48811663902112556	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)F)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.823908740944319	6.119186407719209	2.70472233322511	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	Q96GD4	O14965	8.1436373878009	5.747181901218205	2.3964554865826955	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)C2=CC(C(C=C2)Cl)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.327902142064282	9.455931955649724	0.1280298135854423	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)C2=CCC(C=C2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.161150909262744	10.096910013008056	1.935759103745312	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)C2CCCCC2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.958607314841775	9.795880017344075	0.8372727025023003	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)C2CCCNC2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.795880017344075	8.522878745280337	0.2730012720637376	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)Cc2ccc(cc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.795880017344075	8.075720713938118	0.720159303405957	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)N2CCCCC2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.657577319177793	8.075720713938118	0.5818566052396754	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.2518119729938	8.958607314841775	0.7067953418479753	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2c(cccc2F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.05551732784983	9.508638306165727	0.45312097831589604	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2c3c(n[nH]2)CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.522878745280337	9.619788758288394	0.09691001300805624	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2c3cc(ccc3[nH]n2)Br)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.193820026016112	7.292429823902063	0.9013902021140492	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2c3cc(ccc3[nH]n2)Cl)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.301029995663981	7.698970004336019	0.6020599913279625	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(ccc2O)n3cc(nn3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C(F)(F)F	Q96GD4	O14965	4.860120913598763	6.161150909262744	1.3010299956639813	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.958607314841775	9.468521082957745	0.50991376811597	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.6777807052660805	8.356547323513812	0.6787666182477317	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(n[nH]2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.292429823902063	9.657577319177793	0.3651474952757301	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cc(n[nH]2)C3CC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	10.050609993355087	9.638272163982407	0.4123378293726798	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)C(F)(F)F)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.2839966563652	10.096910013008056	0.8129133566428557	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)C(F)(F)F)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.638272163982407	8.853871964321762	0.21559980033935489	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.522878745280337	9.537602002101044	0.014723256820706965	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.522878745280337	8.958607314841775	0.43572856956143724	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.346787486224656	9.236572006437063	0.8897845202124071	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	Q96GD4	O14965	8.853871964321762	9.0	0.14612803567823818	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.086186147616283	9.3767507096021	0.29056456198581593	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.148741651280925	9.187086643357144	0.03834499207621889	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)C#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.619788758288394	9.200659450546418	0.5808706922580242	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CNc3c4=CCCC(=c4ncn3)C(=O)N	Q96GD4	O14965	9.167491087293763	9.744727494896694	0.5772364076029302	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.958607314841775	8.130768280269024	0.17216096542724912	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)CO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.136677139879545	9.080921907623926	0.055755232255618736	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.744727494896694	10.096910013008056	0.3521825181113627	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.481486060122113	6.236572006437063	0.24491405368504982	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)N3CCCCC3=O)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	7.769551078621726	8.823908740944319	1.0543576623225928	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)SC(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.920818753952375	9.4089353929735	0.48811663902112556	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2)c3[nH]ccn3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.0	9.537602002101044	0.5376020021010444	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.455931955649724	9.920818753952375	0.46488679830265056	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.67778070526608	9.920818753952375	0.24303804868629442	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.602059991327963	9.795880017344075	0.19382002601611248	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.42021640338319	9.958607314841775	0.5383909114585848	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(nc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.337242168318426	9.187086643357144	0.15015552496128137	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc(nc2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.09151498112135	9.397940008672037	0.3064250275506879	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)CCO3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.337242168318426	9.638272163982407	0.30102999566398125	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)OC(O3)(F)F)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	9.698970004336019	10.221848749616356	0.5228787452803374	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)OCO3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.920818753952375	9.292429823902063	0.3716110699496884	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)[nH]cn3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.327902142064282	9.0	0.672097857935718	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)Br)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.102372908709558	9.267606240177031	0.16523333146747277	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.42021640338319	9.769551078621726	0.349334675238536	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.259637310505756	8.744727494896694	0.48509018439093765	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)OC(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.698970004336019	9.142667503568731	0.4436974992327123	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(c2)OCCCO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.886056647693163	8.568636235841012	0.6825795881478491	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc(n2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.537602002101044	8.301029995663981	0.2365720064370631	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(n[nH]3)N)CNC(=O)Nc4ccc(c(c4)F)F	Q96GD4	O14965	7.552841968657781	5.789681480173768	1.7631604884840124	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(n[nH]3)N)CNC(=O)Nc4cccc(c4)F	Q96GD4	O14965	7.7447274948966935	5.893129455521346	1.8515980393753475	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(no3)N)CNC(=O)Nc4ccc(c(c4)F)F	Q96GD4	O14965	8.154901959985743	5.320572103387881	2.8343298565978623	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(no3)N)CNC(=O)Nc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	7.920818753952375	4.903089986991944	3.017728766960431	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(no3)N)CNC(=O)Nc4ccc(cc4)Cl	Q96GD4	O14965	8.522878745280337	6.779891911959945	1.7429868333203924	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(no3)N)CNC(=O)Nc4ccc(cc4)F	Q96GD4	O14965	7.3872161432802645	4.913640169325252	2.473575973955013	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(no3)N)CNC(=O)Nc4cccc(c4)F	Q96GD4	O14965	7.229147988357856	5.497572880015567	1.7315751083422892	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(ns3)N)CNC(=O)Nc4ccc(c(c4)F)F	Q96GD4	O14965	7.443697499232713	4.903089986991944	2.5406075122407694	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(ns3)N)CNC(=O)Nc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	7.920818753952375	4.903089986991944	3.017728766960431	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cccc3c2c(ns3)N)CNC(=O)Nc4cccc(c4)F	Q96GD4	O14965	7.301029995663981	4.903089986991944	2.3979400086720375	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccn3c2c(ncn3)N)CNC(=O)Nc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	7.619788758288394	6.104577453960592	1.515211304327802	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccn3c2c(ncn3)N)CNC(=O)Nc4ccc(cc4)Cl	Q96GD4	O14965	9.045757490560675	7.337242168318426	1.7085153222422491	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccn3c2c(ncn3)N)CNC(=O)Nc4cccc(c4)Cl	Q96GD4	O14965	8.0	6.730487055782084	1.269512944217916	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccn3c2c(ncn3)N)CNC(=O)Nc4cccc(c4)F	Q96GD4	O14965	8.397940008672037	7.173925197299173	1.2240148113728644	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.6020599913279625	7.5376020021010435	0.06445798922691903	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.67778070526608	8.744727494896694	0.06694678963061307	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.638272163982407	9.050609993355087	0.4123378293726798	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.7447274948966935	8.356547323513812	0.6118198286171186	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cn[nH]c2N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.920818753952375	9.721246399047171	0.8004276450947962	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(=O)c2cnn3c2CNCC3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.795880017344075	8.045757490560675	0.7501225267834002	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)NC(c2cc(ccc2F)C(F)(F)F)O)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.769551078621726	9.769551078621726	0.0	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2[nH]c3cc(ccc3n2)C(F)(F)F)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.301029995663981	7.958607314841775	0.3424226808222066	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)C4CCCNC4	Q96GD4	O14965	7.4089353929735005	7.3979400086720375	0.010995384301462963	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)c4ccc(cc4)C(F)(F)F	Q96GD4	O14965	8.327902142064282	8.3767507096021	0.04884856753781719	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2cc(ccn2)C#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	10.221848749616356	9.657577319177793	0.5642714304385628	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2cc(ccn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.744727494896694	8.638272163982407	1.1064553309142866	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2ccc(cn2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.823908740944319	8.443697499232712	0.6197887582883936	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2ccc(cn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.119186407719209	9.0	0.11918640771920863	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2ncc(s2)CN)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.130768280269024	9.657577319177793	0.5268090389087696	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2ncccn2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.481486060122112	7.958607314841775	0.5228787452803374	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)Nc2nccs2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.0	9.721246399047171	0.7212463990471711	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)O)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	5.6020599913279625	5.721246399047171	0.11918640771920863	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)OCCN(CCO)CCO)CNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	7.055517327849832	7.236572006437063	0.18105467858723134	Same Family
[O14965, Q96GD4]	c1cc(cc(c1)S(=O)(=O)N)c2c3cc(ccc3[nH]n2)NC(=O)C(c4ccsc4)N5CCCC5	Q96GD4	O14965	6.142667503568732	6.045757490560675	0.09691001300805713	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)O)C(F)(F)F	Q96GD4	O14965	9.619788758288394	9.494850021680094	0.1249387366082999	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCC(C4)O)C(F)(F)F	Q96GD4	O14965	5.97469413473523	5.886056647693163	0.08863748704206653	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCCC4CO)C(F)(F)F	Q96GD4	O14965	7.568636235841013	8.173925197299173	0.60528896145816	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCN(CC4)CCO)C(F)(F)F	Q96GD4	O14965	8.397940008672037	8.468521082957745	0.07058107428570715	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCOCC4)C(F)(F)F	Q96GD4	O14965	6.221848749616356	7.055517327849832	0.8336685782334756	Same Family
[O14965, Q96GD4]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCNCCO)C(F)(F)F	Q96GD4	O14965	8.795880017344075	8.236572006437063	0.5593080109070119	Same Family
[O14965, Q96GD4]	c1cc(ccc1NC(=O)C2CC2)Sc3nc(cc(n3)Cl)Nc4c[nH]nc4c5[nH]c6ccc(cc6n5)CN7CCCCC7	Q96GD4	O14965	6.718966632752273	6.903437561625864	0.1844709288735915	Same Family
[O14965, Q96GD4]	c1cc(ccc1NC(=O)C2CC2)Sc3nc(cc(n3)Cl)Nc4c[nH]nc4c5[nH]c6ccc(cc6n5)CN7CCOCC7	Q96GD4	O14965	6.384786665198641	6.667763584508557	0.28297691930991586	Same Family
[O14965, Q96GD4]	c1cc(ccc1NC(=O)c2ccn3c2c(ncn3)N)NC(=O)NC4CCCC4	Q96GD4	O14965	7.481486060122113	7.431798275933005	0.04968778418910791	Same Family
[O14965, Q96GD4]	c1cc(ccc1NC(=O)c2ccn3c2c(ncn3)N)NC(=O)Nc4ccc(cc4)F	Q96GD4	O14965	7.443697499232713	7.055517327849832	0.3881801713828814	Same Family
[O14965, Q96GD4]	c1cc(ccc1NC(=O)c2ccn3c2c(ncn3)N)NC(=O)Nc4ccsc4	Q96GD4	O14965	7.769551078621726	8.096910013008056	0.32735893438633035	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2c3ccc(cc3ncn2)OCCCN4CCC(CC4)CO)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.073143291050307	6.099086932262331	0.02594364121202375	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2c3ccc(cc3ncn2)OCCCN4CCCC4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.7423214251308154	6.939302159646388	0.19698073451557274	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2c3ccc(cc3ncn2)OCCCN4CCCCC4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.655607726314889	6.987162775294828	0.33155504897993904	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2c3ccc(cc3ncn2)OCCCN4CCN(CC4)CCO)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.229884705212898	6.360513510731414	0.13062880551851563	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2c3ccc(cc3ncn2)OCCCN4CCOCC4)NC(=O)NC5CCCCC5	Q96GD4	O14965	6.578396073130169	6.714442690992226	0.13604661786205696	Same Family
[O14965, Q96GD4]	c1cc(ccc1Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2)OCCN5CCOCC5	Q96GD4	O14965	5.346787486224656	5.0915149811213505	0.25527250510330557	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC(=CC=C3)NC=O	Q96GD4	O14965	9.236572006437063	9.309803919971486	0.07323191353442304	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC=CC(=C3)NC(=O)c4ccncc4	Q96GD4	O14965	8.050609993355087	8.259637310505756	0.20902731715066913	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC=CC(=NC(c4c[nH]c5c4cccn5)O)C3	Q96GD4	O14965	7.886056647693163	8.3767507096021	0.49069406190893616	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC=CC(=NC(c4ccn[nH]4)O)C3	Q96GD4	O14965	8.301029995663981	8.55284196865778	0.2518119729937993	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CCCO3	O14965	Q96GD4	5.236572006437063	8.301029995663981	3.064457989226918	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(cc(c3)F)F	Q96GD4	O14965	8.4089353929735	9.065501548756432	0.6565661557829312	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)C(F)(F)F)Cl	Q96GD4	O14965	6.301029995663981	6.130768280269024	0.1702617153949575	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)Br)F	Q96GD4	O14965	9.161150909262744	9.136677139879545	0.02447376938319934	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)OC(F)(F)F)F	Q96GD4	O14965	8.744727494896694	9.657577319177793	0.9128498242810998	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	Q96GD4	O14965	6.154901959985743	6.259637310505756	0.10473535052001282	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)NC(=O)c4cc(n[nH]4)C(F)(F)F	Q96GD4	O14965	10.346787486224656	9.244125144327509	1.1026623418971475	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3F)F	Q96GD4	O14965	9.229147988357855	8.657577319177793	0.5715706691800619	Same Family
[O14965, Q96GD4]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc4c(c3)OCO4	Q96GD4	O14965	8.4089353929735	9.431798275933005	1.0228628829595046	Same Family
[O14965, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	O14965	5.585026652029182	5.4089353929735005	0.17609125905568135	Same Family
[O14965, Q96GD4]	c1cc2c(cc1CN3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5	Q96GD4	O14965	8.568636235841012	8.481486060122112	0.08715017571890016	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)C#N)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.886056647693163	8.10790539730952	1.2218487496163561	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)C(F)(F)F	Q96GD4	O14965	8.42021640338319	9.657577319177793	1.2373609157946035	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	Q96GD4	O14965	8.698970004336019	8.795880017344075	0.09691001300805624	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)OCCO	Q96GD4	O14965	7.795880017344075	9.040958607678906	1.2450785903348311	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)C(F)(F)F)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.657577319177793	8.327902142064282	0.6703248228864886	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)C(F)(F)F	Q96GD4	O14965	8.119186407719209	8.09151498112135	0.02767142659785904	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	Q96GD4	O14965	7.040958607678906	6.886056647693163	0.15490195998574308	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	Q96GD4	O14965	6.698970004336019	6.508638306165727	0.19033169817029183	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl)Cl	Q96GD4	O14965	6.0	5.522878745280337	0.4771212547196626	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCOCC4)Cl	Q96GD4	O14965	6.0	6.0	0.0	Same Family
[O14965, Q96GD4]	c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc4c(c3)[nH]c(=O)[nH]4)Cl	Q96GD4	O14965	6.0	5.522878745280337	0.4771212547196626	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(=O)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.376750709602099	6.080921907623926	0.29582880197817296	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(=O)Nc2ccc(cn2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	Q96GD4	O14965	7.886056647693163	7.154901959985743	0.73115468770742	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(=O)Nc2ccc(nc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	Q96GD4	O14965	7.102372908709558	6.211124884224583	0.891248024484975	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	Q96GD4	O14965	8.602059991327963	7.920818753952375	0.6812412373755876	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(=O)Nc2ncc(cn2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	Q96GD4	O14965	7.6777807052660805	7.055517327849832	0.6222633774162487	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(CCN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.017728766960431	6.958607314841775	1.0591214521186565	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	8.853871964321762	6.508638306165727	2.345233658156035	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(CN2CCCC2)Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	7.795880017344075	6.161150909262744	1.6347291080813307	Same Family
[O14965, Q96GD4]	c1ccc(cc1)C(Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N)O	Q96GD4	O14965	8.823908740944319	8.1249387366083	0.6989700043360187	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.67778070526608	8.585026652029182	0.09275405323689867	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncn3)OCCCN5CCC(CC5)CO	Q96GD4	O14965	6.106238237942057	6.248720896016658	0.14248265807460125	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncn3)OCCCN5CCCC5	Q96GD4	O14965	6.555955204081924	6.844663962534939	0.2887087584530148	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncn3)OCCCN5CCCCC5	Q96GD4	O14965	6.714442690992226	7.107905397309519	0.3934627063172931	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncn3)OCCCN5CCN(CC5)CCO	Q96GD4	O14965	6.20690839982342	6.304518323509803	0.09760992368638277	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncn3)OCCCN5CCOCC5	Q96GD4	O14965	6.43533393574791	6.673664139071248	0.2383302033233381	Same Family
[O14965, Q96GD4]	c1ccc(cc1)CNCCNc2c3cccc(c3ncn2)C(=O)N	Q96GD4	O14965	7.638272163982407	7.5376020021010435	0.10067016188136346	Same Family
[O14965, Q96GD4]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	Q96GD4	O14965	5.6020599913279625	5.585026652029182	0.017033339298780703	Same Family
[O14965, Q96GD4]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4cccc(c4)NC(=O)c5ccnc(c5)N6CCCC6	Q96GD4	O14965	6.3979400086720375	7.619788758288394	1.2218487496163561	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3cccc4c3c(no4)N	Q96GD4	O14965	7.7447274948966935	5.421360790031928	2.3233667048647657	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O	Q96GD4	O14965	7.769551078621726	7.3872161432802645	0.38233493534146135	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(c[nH]n3)c4ccnc5c4cc[nH]5	Q96GD4	O14965	7.494850021680094	5.414764936634224	2.0800850850458694	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CC(=O)N)c4ccnc5c4cc[nH]5	Q96GD4	O14965	7.1938200260161125	5.245957613214563	1.9478624128015491	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CC(=O)N4CCOCC4)c5ccnc6c5cc[nH]6	Q96GD4	O14965	7.070581074285707	5.166852888087215	1.9037281861984923	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CC(CO)O)c4ccnc5c4cc[nH]5	Q96GD4	O14965	9.0	6.423658649794207	2.5763413502057926	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CC(F)(F)F)c4ccnc5c4cc[nH]5	Q96GD4	O14965	7.795880017344075	5.667561540084395	2.12831847725968	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CC4CCCO4)c5ccnc6c5cc[nH]6	Q96GD4	O14965	7.013228265733755	5.207958689287918	1.8052695764458369	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CCCO)c4ccnc5c4cc[nH]5	Q96GD4	O14965	8.698970004336019	6.013676222949234	2.6852937813867843	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(cn(n3)CCO)c4ccnc5c4cc[nH]5	Q96GD4	O14965	8.522878745280337	6.101274818410507	2.421603926869831	Same Family
[O14965, Q96GD4]	c1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	8.823908740944319	8.795880017344075	0.028028723600243666	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	Q96GD4	O14965	6.045757490560675	6.221848749616356	0.17609125905568135	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q96GD4	O14965	6.133712660915805	5.872895201635193	0.26081745928061206	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)CCCC2Nc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.301029995663981	5.449126463026817	0.8519035326371647	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)C4c5c(c([nH]n5)C(=O)N)NC6=C4C(=O)CCC6	Q96GD4	O14965	7.721246399047171	5.630042392653947	2.091204006393224	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)C4c5c[nH]c(c5NC6=C4C(=O)CCC6)C(=O)O	Q96GD4	O14965	7.795880017344075	7.1249387366083	0.6709412807357751	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)C4c5c[nH]cc5NC6=C4C(=O)CCC6	Q96GD4	O14965	6.896196279044043	6.423658649794207	0.47253762924983533	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)C4c5cn[nH]c5NC6=C4C(=O)CCC6	Q96GD4	O14965	8.301029995663981	7.7447274948966935	0.5563025007672877	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c(c([nH]2)O)c3c(c4ccccc4[nH]3)N=O	Q96GD4	O14965	5.638272163982407	5.3979400086720375	0.24033215531036944	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)Br)N=O	Q96GD4	O14965	5.337242168318426	4.0	1.3372421683184257	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)F)N=O	Q96GD4	O14965	5.154901959985743	5.698970004336019	0.5440680443502757	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Cl	Q96GD4	O14965	5.841637507904751	5.521433504406157	0.3202040034985938	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)N	Q96GD4	O14965	6.7594507517174005	5.939302159646388	0.8201485920710123	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5c(cccc5F)F	Q96GD4	O14965	9.221848749616356	8.301029995663981	0.9208187539523749	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5cc(cc(c5)F)F	Q96GD4	O14965	9.154901959985743	8.154901959985743	1.0	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(c(c5)F)F	Q96GD4	O14965	9.096910013008056	8.154901959985743	0.9420080530223132	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5)C(F)(F)F	Q96GD4	O14965	8.221848749616356	7.568636235841013	0.6532125137753431	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5)F	Q96GD4	O14965	9.0	8.397940008672037	0.6020599913279625	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5F)F	Q96GD4	O14965	9.0	8.698970004336019	0.30102999566398125	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5cccc(c5)F	Q96GD4	O14965	9.0	8.154901959985743	0.8450980400142569	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5cccc(c5F)C(F)(F)F	Q96GD4	O14965	9.0	8.154901959985743	0.8450980400142569	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5cccc(c5F)F	Q96GD4	O14965	9.301029995663981	8.698970004336019	0.6020599913279625	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccccc5C(F)(F)F	Q96GD4	O14965	9.0	8.397940008672037	0.6020599913279625	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccccc5F	Q96GD4	O14965	8.698970004336019	8.045757490560675	0.653212513775344	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)cccc2CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	6.411168274405793	6.468521082957745	0.05735280855195146	Same Family
[O14965, Q96GD4]	c1ccc2c(c1)nc(s2)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.602059991327963	8.638272163982407	0.03621217265444443	Same Family
[O14965, Q96GD4]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.301029995663981	7.5376020021010435	0.7634279935629378	Same Family
[O14965, Q96GD4]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	Q96GD4	O14965	8.823908740944319	7.823908740944319	1.0	Same Family
[O14965, Q96GD4]	c1ccnc(c1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	Q96GD4	O14965	9.0268721464003	9.823908740944319	0.7970365945440179	Same Family
[O14965, Q96GD4]	c1cnn(c1)Cc2ccc(cc2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	Q96GD4	O14965	5.638272163982407	5.376750709602099	0.2615214543803077	Same Family
[Q96GD4, Q9UHD2]	CC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	4.91721462968355	5.968333320524126	1.0511186908405756	Different Family
[Q96GD4, Q9UHD2]	CC(C)(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	5.841637507904751	7.299299729609228	1.457662221704477	Different Family
[Q96GD4, Q9UHD2]	CC(C)(CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2)CO	Q96GD4	Q9UHD2	5.774690718274137	6.933230545814891	1.1585398275407544	Different Family
[Q96GD4, Q9UHD2]	CC(C)CCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	4.72584215073632	6.9762846799222284	2.250442529185908	Different Family
[Q96GD4, Q9UHD2]	CC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	5.22767829327708	7.272653775380261	2.0449754821031814	Different Family
[Q96GD4, Q9UHD2]	CC(C)CNC(=O)c1csc(n1)c2cnc3c(c2NCCCNC(=O)C4CCCC4)nc([nH]3)c5ccc(cc5)OC	Q96GD4	Q9UHD2	5.607303046740334	6.651979152378962	1.0446761056386276	Different Family
[Q96GD4, Q9UHD2]	CCC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	5.549750891680639	6.855082939257484	1.3053320475768446	Different Family
[Q96GD4, Q9UHD2]	COCCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q96GD4	Q9UHD2	5.860120913598763	6.889162501464615	1.0290415878658523	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCC4	Q96GD4	Q9UHD2	7.42021640338319	8.309894379144197	0.8896779757610069	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCCC4	Q96GD4	Q9UHD2	7.031517051446065	8.048455006504028	1.016937955057963	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)OCCCNC(=O)C4CCCC4	Q96GD4	Q9UHD2	6.806875401645539	6.11975822410452	0.687117177541019	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)C(=S)N)NCCCNC(=O)C4CCCC4	Q96GD4	Q9UHD2	6.051098239029787	7.0598791120522595	1.0087808730224728	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4cc(sc4)C(=O)O)OCCCNC(=O)C5CCCC5	Q96GD4	Q9UHD2	5.886056647693163	6.337242168318426	0.4511855206252626	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)N)NCCCNC(=O)C5CCCC5	Q96GD4	Q9UHD2	6.546681659952962	8.100329725273209	1.553648065320247	Different Family
[Q96GD4, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(sc4)C(=O)N	Q96GD4	Q9UHD2	5.638272163982407	7.047371975625774	1.409099811643367	Different Family
[O60285, Q96GD4]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q96GD4	O60285	8.564089641766962	8.096910013008056	0.46717962875890606	Different Group
[O60285, Q96GD4]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q96GD4	O60285	5.410050398674292	4.531652669587842	0.8783977290864495	Different Group
[O60285, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O60285	5.6777807052660805	5.7447274948966935	0.06694678963061307	Different Group
[O60285, Q96GD4]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q96GD4	O60285	4.685805534974844	4.366531544420414	0.3192739905544304	Different Group
[O60285, Q96GD4]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q96GD4	O60285	5.309803919971486	5.698970004336019	0.3891660843645326	Different Group
[O60285, Q96GD4]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q96GD4	O60285	5.600326278518962	5.600326278518962	0.0	Different Group
[O60285, Q96GD4]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q96GD4	O60285	5.137272471682025	5.423658649794207	0.28638617811218214	Different Group
[O60285, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q96GD4	O60285	5.060980223551334	5.0	0.0609802235513337	Different Group
[O60285, Q96GD4]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q96GD4	O60285	4.645891560852599	4.525783735923745	0.12010782492885408	Different Group
[O60285, Q96GD4]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q96GD4	O60285	5.008773924307505	5.309803919971486	0.30102999566398125	Different Group
[O60285, Q96GD4]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q96GD4	O60285	5.6020599913279625	6.292429823902063	0.6903698325741008	Different Group
[O60285, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q96GD4	O60285	6.301029995663981	5.7447274948966935	0.5563025007672877	Different Group
[O60285, Q96GD4]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q96GD4	O60285	5.638272163982407	5.769551078621726	0.13127891463931896	Different Group
[O60285, Q96GD4]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q96GD4	O60285	6.040958607678906	5.293282217663241	0.7476763900156653	Different Group
[O60285, Q96GD4]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q96GD4	O60285	5.585026652029182	5.494850021680094	0.09017663034908807	Different Group
[P31749, P49137]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P49137	P31749	5.008773924307505	5.585026652029182	0.5762527277216769	Different Group
[P31749, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49137	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49137	P31749	4.522878745280337	4.730954290342377	0.20807554506203996	Different Group
[P31749, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49137	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49137	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49137]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49137	P31749	4.73118809626022	5.508638306165727	0.7774502099055072	Different Group
[P31749, P49137]	c1ccc(c(c1)CN2c3ccc(cc3Cc4cc(oc4C2=O)c5ccc(cc5)Cl)N6CCNCC6)c7cccnc7	P49137	P31749	7.657577319177793	4.795880017344075	2.8616973018337184	Different Group
[P31749, P49137]	c1ccc(cc1)CNC(=O)c2cc3c([nH]nc3s2)c4ccccc4	P49137	P31749	4.769551078621726	4.823908740944319	0.05435766232259276	Different Group
[P31749, P49137]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P49137	P31749	5.173925197299174	7.698970004336019	2.5250448070368448	Different Group
[P31749, P49137]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P49137	P31749	4.795880017344075	5.443697499232713	0.6478174818886382	Different Group
[O14757, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49137	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49137	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49137	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, P49137]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49137	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, P49137]	CNC1CCC(CC1)Nc2c3nc(cn3c(cn2)C(=O)N)c4ccc(cc4)Cl	P49137	O14757	6.3979400086720375	6.050609993355088	0.34733001531694985	Different Family
[O14757, P49137]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49137	O14757	4.73118809626022	5.863279432843593	1.1320913365833736	Different Family
[O14757, P49137]	c1cc(c(cc1c2cn3c(cnc(c3n2)NC4CCC(CC4)N)C(=O)N)Cl)Cl	P49137	O14757	6.086186147616283	5.294992040666664	0.7911941069496189	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCCNC4)C(=O)N)Cl	P49137	O14757	6.187086643357144	7.4089353929735005	1.2218487496163561	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCCNC4)C(=O)N)F	P49137	O14757	6.040958607678906	7.568636235841013	1.527677628162107	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCNCC4)C(=O)N)Cl	P49137	O14757	5.3819519032879075	6.161150909262744	0.7791990059748368	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(cnc(c3n2)NCCCN)C(=O)N)Cl	P49137	O14757	5.388276691992658	6.537602002101044	1.1493253101083862	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)NC4CCCNC4)Cl	P49137	O14757	6.075720713938118	7.7447274948966935	1.6690067809585756	Different Family
[O14757, P49137]	c1cc(ccc1c2cn3c(n2)c(cnc3NC4CCC(CC4)N)C(=O)N)Cl	P49137	O14757	5.3979400086720375	4.301029995663981	1.0969100130080562	Different Family
[O14757, P49137]	c1ccc2cc(ccc2c1)c3cn4c(cnc(c4n3)NC5CCCNC5)C(=O)N	P49137	O14757	6.040958607678906	7.638272163982407	1.5973135563035008	Different Family
[P45983, Q16539]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	P45983	Q16539	7.034813113848891	6.9528396235763985	0.08197349027249246	Same Family
[P45983, Q16539]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	P45983	Q16539	7.086186147616283	7.431798275933005	0.3456121283167217	Same Family
[P45983, Q16539]	CC(C)Nc1ncc2cc(c(=O)n(c2n1)C)Oc3ccc(cc3F)F	P45983	Q16539	5.374687549038326	8.397940008672037	3.023252459633712	Same Family
[P45983, Q16539]	CC(C)n1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	Q16539	5.297052753818444	5.440931665965463	0.1438789121470192	Same Family
[P45983, Q16539]	CN(C)CCNC(=O)c1ccc(cc1)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	P45983	Q16539	7.346787486224656	8.060480747381382	0.7136932611567257	Same Family
[P45983, Q16539]	CN(C)CCNC(=O)c1cccc(c1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	P45983	Q16539	6.156144577376839	7.795880017344075	1.639735439967236	Same Family
[P45983, Q16539]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P45983	Q16539	5.489488088984207	4.919012953089113	0.5704751358950944	Same Family
[P45983, Q16539]	COc1ccccc1Nc2ccc3c(c2)[nH]nc3c4ccccc4	P45983	Q16539	5.795880017344075	7.337242168318426	1.5413621509743507	Same Family
[P45983, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P45983	Q16539	6.410050398674292	8.522878745280337	2.1128283466060456	Same Family
[P45983, Q16539]	Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO	P45983	Q16539	5.266000713461613	7.853871964321762	2.5878712508601485	Same Family
[P45983, Q16539]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4)F	P45983	Q16539	7.289198036565084	6.305770885887	0.9834271506780841	Same Family
[P45983, Q16539]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4)F	P45983	Q16539	6.818156412055227	6.701146923590294	0.11700948846493375	Same Family
[P45983, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)[nH]nc3c4cccc(c4)C(=O)NC5CCNCC5)Cl	P45983	Q16539	7.1487416512809245	8.356547323513812	1.2078056722328876	Same Family
[P45983, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4ccc(cc4)C(=O)O)Cl	P45983	Q16539	6.609064892896621	7.886056647693163	1.2769917547965424	Same Family
[P45983, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)N)Cl	P45983	Q16539	7.0915149811213505	8.494850021680094	1.4033350405587433	Same Family
[P45983, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)NCCCN5CCOCC5)Cl	P45983	Q16539	6.642065152999546	8.431798275933005	1.789733122933459	Same Family
[P45983, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)O)Cl	P45983	Q16539	7.214670164989233	7.619788758288394	0.4051185932991608	Same Family
[P45983, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4	P45983	Q16539	6.4156687756324695	6.7447274948966935	0.32905871926422403	Same Family
[P45983, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4	P45983	Q16539	6.913640169325252	6.600326278518962	0.31331389080629	Same Family
[P45983, Q16539]	c1ccc(cc1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	P45983	Q16539	5.2716462179787715	7.7447274948966935	2.473081276917922	Same Family
[P45983, P53779]	CC(=O)N1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	P45983	P53779	6.6595558851598815	7.356547323513813	0.6969914383539315	Same Family
[P45983, P53779]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	P45983	P53779	7.034813113848891	8.0416462455361	1.006833131687209	Same Family
[P45983, P53779]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	P45983	P53779	7.086186147616283	8.045757490560675	0.9595713429443915	Same Family
[P45983, P53779]	CC(C)C(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P53779	6.3979400086720375	6.790484985457369	0.39254497678533173	Same Family
[P45983, P53779]	CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)c2c3ccccc3[nH]n2)C(=O)NC(=O)C4COc5cc(ccc5O4)OC	P45983	P53779	6.962573502059376	7.920818753952375	0.9582452518929987	Same Family
[P45983, P53779]	CC(C)NC(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P53779	7.443697499232713	7.552841968657781	0.10914446942506739	Same Family
[P45983, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)[nH]c3n2	P45983	P53779	5.701583619938705	5.664341547710698	0.037242072228006684	Same Family
[P45983, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C	P45983	P53779	6.518557371497695	6.623423042943488	0.10486567144579251	Same Family
[P45983, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P53779	7.6777807052660805	7.823908740944319	0.14612803567823818	Same Family
[P45983, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCCC4	P45983	P53779	8.154901959985743	7.958607314841775	0.19629464514396844	Same Family
[P45983, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCOCC4	P45983	P53779	6.3585258894959	6.690369832574102	0.3318439430782014	Same Family
[P45983, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)N3CCC(CC3)CO	P45983	P53779	5.795880017344075	5.481486060122113	0.31439395722196206	Same Family
[P45983, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)N	P45983	P53779	7.096910013008056	6.696803942579511	0.40010607042854485	Same Family
[P45983, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)NC(=O)NC4CCCC4	P45983	P53779	7.3979400086720375	7.0915149811213505	0.306425027550687	Same Family
[P45983, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)O	P45983	P53779	7.7447274948966935	7.236572006437063	0.5081554884596304	Same Family
[P45983, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCOCC3	P45983	P53779	6.497572880015567	6.274088367704952	0.22348451231061528	Same Family
[P45983, P53779]	CCN(CC)CCNC(=O)c1cccc(c1)n2cc(cn2)NC(=O)Nc3ccccc3Cl	P45983	P53779	5.3472703039307525	6.863279432843593	1.5160091289128408	Same Family
[P45983, P53779]	CCN(CC)CCn1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.903437561625864	7.6777807052660805	1.7743431436402162	Same Family
[P45983, P53779]	CCNC(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P53779	7.070581074285707	7.267606240177032	0.19702516589132468	Same Family
[P45983, P53779]	CCNC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P53779	7.573455235074067	7.337961710130257	0.23549352494381015	Same Family
[P45983, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P53779	7.721246399047171	7.221848749616356	0.499397649430815	Same Family
[P45983, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)Cl	P45983	P53779	7.619788758288394	6.920818753952375	0.6989700043360187	Same Family
[P45983, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccccc2S(=O)(=O)N)N)C#N	P45983	P53779	7.920818753952375	7.431798275933005	0.4890204780193699	Same Family
[P45983, P53779]	CCOc1ccc(cc1OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	P45983	P53779	6.366531544420414	7.337242168318426	0.9707106238980119	Same Family
[P45983, P53779]	CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	P45983	P53779	6.092051478387727	5.973856621321071	0.11819485706665667	Same Family
[P45983, P53779]	CN(C)CCNC(=O)c1ccc(cc1)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	P45983	P53779	7.346787486224656	8.721246399047171	1.374458912822515	Same Family
[P45983, P53779]	CN(C)CCNC(=O)c1cccc(c1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	P45983	P53779	6.156144577376839	7.6777807052660805	1.5216361278892414	Same Family
[P45983, P53779]	CN(C)CCn1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	6.120330794367947	7.468521082957745	1.348190288589798	Same Family
[P45983, P53779]	CN(C)c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4c[nH]nc4	P45983	P53779	6.995678626217358	7.494850021680094	0.4991713954627359	Same Family
[P45983, P53779]	CN1CCN(CC1)CCNC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5c(cccc5Cl)Cl	P45983	P53779	5.920818753952375	7.301029995663981	1.3802112417116064	Same Family
[P45983, P53779]	CNc1c(c(no1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4)c5ccc(cc5)F	P45983	P53779	6.818156412055227	7.568636235841013	0.7504798237857857	Same Family
[P45983, P53779]	COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	P45983	P53779	6.97469413473523	7.494850021680094	0.5201558869448641	Same Family
[P45983, P53779]	COCCC(=O)Nc1cc(ccn1)c2ccnc(c2)Nc3ccccc3	P45983	P53779	6.345823458122039	7.698970004336019	1.3531465462139796	Same Family
[P45983, P53779]	COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5	P45983	P53779	6.698970004336019	7.619788758288394	0.9208187539523749	Same Family
[P45983, P53779]	COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5Cl	P45983	P53779	7.031517051446065	7.920818753952375	0.8893017025063097	Same Family
[P45983, P53779]	COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	P45983	P53779	7.136677139879544	8.045757490560675	0.9090803506811307	Same Family
[P45983, P53779]	COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	P45983	P53779	6.3979400086720375	7.6020599913279625	1.204119982655925	Same Family
[P45983, P53779]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)N4CCOCC4	P45983	P53779	8.522878745280337	9.102407705158788	0.5795289598784503	Same Family
[P45983, P53779]	COc1cc2c(cc1Cl)C(=NCC2)c3ccc(c(c3)Cl)Cl	P45983	P53779	4.0	6.899992934813097	2.8999929348130973	Same Family
[P45983, P53779]	COc1ccccc1Nc2ccc3c(c2)[nH]nc3c4ccccc4	P45983	P53779	5.795880017344075	6.694648630553377	0.8987686132093016	Same Family
[P45983, P53779]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3c4ccccc4nn3	P45983	P53779	7.619788758288394	6.943095148663527	0.6766936096248664	Same Family
[P45983, P53779]	CS(=O)(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)n4ccnn4	P45983	P53779	7.795880017344075	8.397940008672037	0.6020599913279625	Same Family
[P45983, P53779]	Cc1c(c(n[nH]1)C)c2conc2c3ccnc(c3)Nc4ccc(cc4)n5cnc(n5)C	P45983	P53779	7.008773924307505	6.728158393463501	0.2806155308440035	Same Family
[P45983, P53779]	Cc1c(cccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.570409197776699	6.85078088734462	1.2803716895679216	Same Family
[P45983, P53779]	Cc1c(cn(n1)C)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.891434976267165	6.935542010773082	1.0441070345059167	Same Family
[P45983, P53779]	Cc1c(cn[nH]1)c2conc2c3ccnc(c3)Nc4ccc(cc4)n5cnc(n5)C	P45983	P53779	7.886056647693163	7.795880017344075	0.09017663034908807	Same Family
[P45983, P53779]	Cc1cc(ccc1N2CCOCC2)NC(=O)c3cccc(c3)n4c5ccc(cc5cn4)Nc6ccccc6Cl	P45983	P53779	6.795880017344075	7.494850021680094	0.6989700043360187	Same Family
[P45983, P53779]	Cc1cc(ccc1N2CCOCC2)NC(=O)c3cccc(c3)n4c5ccc(cc5cn4)Nc6ccccc6F	P45983	P53779	6.769551078621726	7.42021640338319	0.650665324761464	Same Family
[P45983, P53779]	Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.562249437179612	6.535628016145079	0.973378578965467	Same Family
[P45983, P53779]	Cc1cc(cnc1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.6637404479858064	6.931814138253839	1.2680736902680323	Same Family
[P45983, P53779]	Cc1ccc(c(n1)C)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.988006885340743	6.85078088734462	0.862774002003877	Same Family
[P45983, P53779]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NC(=O)C=CCN(C)C	P45983	P53779	5.1090204030103115	5.110698297493689	0.0016778944833779619	Same Family
[P45983, P53779]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P45983	P53779	6.410050398674292	6.838631997765025	0.4285815990907329	Same Family
[P45983, P53779]	Cc1ccc(cn1)CNC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.108406795651034	6.275295515883979	1.1668887202329445	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cc(ccc2F)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	6.7447274948966935	7.1487416512809245	0.404014156384231	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2ccc(c(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl)F	P45983	P53779	5.625434939277235	7.096910013008056	1.4714750737308213	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F	P45983	P53779	6.3979400086720375	6.790484985457369	0.39254497678533173	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4cccc(c4)F	P45983	P53779	6.185086818724926	6.856985199745905	0.6718983810209789	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	P45983	P53779	6.860120913598763	6.939302159646388	0.07918124604762511	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	6.769551078621726	7.42021640338319	0.650665324761464	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4F	P45983	P53779	5.793984123236656	6.504455662453552	0.7104715392168961	Same Family
[P45983, P53779]	Cc1ccc(cn1)NC(=O)c2cccc(c2F)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.432855954804343	6.638272163982407	1.2054162091780638	Same Family
[P45983, P53779]	Cc1ccc(cn1)c2ncn(n2)c3ccc(cc3)Nc4nccc(n4)c5cccc(c5)N6CCOCC6	P45983	P53779	7.173925197299173	6.798602875679548	0.37532232161962487	Same Family
[P45983, P53779]	Cc1cccc(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cc(c(c(c4)OC)OC)OC	P45983	P53779	7.769551078621726	8.154901959985743	0.3853508813640172	Same Family
[P45983, P53779]	Cc1cccc(c1)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	P45983	P53779	6.327902142064283	6.920818753952375	0.592916611888092	Same Family
[P45983, P53779]	Cc1cccc(c1Cl)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCN5CCN(CC5)C6CCC6	P45983	P53779	6.013228265733755	7.3979400086720375	1.3847117429382827	Same Family
[P45983, P53779]	Cc1cnc(cn1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	P45983	P53779	6.583359492661719	7.481486060122113	0.8981265674603938	Same Family
[P45983, P53779]	Cc1ncc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	6.270025714300444	7.2076083105017466	0.9375825962013025	Same Family
[P45983, P53779]	Cc1ncn(n1)c2ccc(cc2)Nc3cc(ccn3)c4c(con4)c5c[nH]nc5	P45983	P53779	7.568636235841013	7.619788758288394	0.051152522447380555	Same Family
[P45983, P53779]	Cc1ncn(n1)c2ccc(cc2)Nc3cc(ccn3)c4c(con4)c5cc[nH]n5	P45983	P53779	6.328827157284917	6.231361898752386	0.09746525853253107	Same Family
[P45983, P53779]	Cn1c(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.50003813440381	6.790484985457369	1.2904468510535594	Same Family
[P45983, P53779]	Cn1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.686765708305276	6.876148359032914	1.1893826507276382	Same Family
[P45983, P53779]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCCOCC5	P45983	P53779	6.779891911959945	6.889410289700751	0.1095183777408062	Same Family
[P45983, P53779]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCOCC5	P45983	P53779	7.130768280269024	7.070581074285707	0.060187205983316616	Same Family
[P45983, P53779]	Cn1ccc(n1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.580870692258024	6.692503962086787	1.1116332698287632	Same Family
[P45983, P53779]	Cn1cnc(n1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P53779	5.268814292366	6.2262135550188065	0.9573992626528067	Same Family
[P45983, P53779]	c1cc(cc(c1)n2c3ccc(cc3cn2)Nc4c(cccc4Cl)Cl)C(=O)NCCN5CCOCC5	P45983	P53779	5.860120913598763	7.113509274827518	1.2533883612287546	Same Family
[P45983, P53779]	c1cc(ccc1N=c2[nH]ccc(n2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	P45983	P53779	7.00436480540245	6.8297382846050425	0.1746265207974078	Same Family
[P45983, P53779]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4)F	P45983	P53779	7.289198036565084	8.284318117920506	0.995120081355422	Same Family
[P45983, P53779]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4)F	P45983	P53779	6.818156412055227	8.221848749616356	1.4036923375611288	Same Family
[P45983, P53779]	c1cc(ccc1c2c(noc2O)c3ccnc(c3)Nc4ccc(cc4)N5CCOCC5)F	P45983	P53779	7.481486060122113	9.0	1.518513939877887	Same Family
[P45983, P53779]	c1cc(ccc1c2conc2c3ccnc(c3)Nc4ccc(cc4)N5CCOCC5)F	P45983	P53779	6.795880017344075	7.585026652029182	0.7891466346851068	Same Family
[P45983, P53779]	c1cc(nc2c1cnc(n2)NC3CCC(CC3)O)C4CC4	P45983	P53779	6.180456064458132	6.0655015487564325	0.11495451570169912	Same Family
[P45983, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCCC4=O)Cl	P45983	P53779	9.619788758288394	9.795880017344075	0.17609125905568135	Same Family
[P45983, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P45983	P53779	9.0	9.537860356969059	0.537860356969059	Same Family
[P45983, P53779]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)NC4CCNC4)Cl	P45983	P53779	5.559720786764411	7.5376020021010435	1.977881215336632	Same Family
[P45983, P53779]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)NC4CNC4)Cl	P45983	P53779	5.727462222624762	7.468521082957745	1.7410588603329824	Same Family
[P45983, P53779]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)NCCCN4CCCC4)Cl	P45983	P53779	5.325322532126801	7.0	1.6746774678731988	Same Family
[P45983, P53779]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)CCN5CCCC5)Cl	P45983	P53779	5.911509529817604	7.638272163982407	1.7267626341648032	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2cc3cnn(c3cn2)c4cccc(c4)C(=O)NCCN5CCOCC5)Cl	P45983	P53779	5.886056647693163	7.096910013008056	1.2108533653148932	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)[nH]nc3c4cccc(c4)C(=O)NC5CCNCC5)Cl	P45983	P53779	7.1487416512809245	8.853871964321762	1.7051303130408373	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cc(ccn4)C(=O)NCCN5CCOCC5)Cl	P45983	P53779	5.638272163982407	6.920818753952375	1.282546589969968	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4ccc(cc4)C(=O)NCCCN5CCOCC5)Cl	P45983	P53779	6.036212172654444	7.481486060122113	1.4452738874676685	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)N)F	P45983	P53779	6.136677139879544	7.200659450546419	1.0639823106668747	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCCN5CCOCC5)Cl	P45983	P53779	6.3872161432802645	7.823908740944319	1.436692597664054	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCN5CCN(CC5)C6CCC6)Cl	P45983	P53779	6.013228265733755	7.3979400086720375	1.3847117429382827	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCN5CCOCC5)Cl	P45983	P53779	6.1249387366083	7.267606240177032	1.142667503568732	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCO)Cl	P45983	P53779	6.096910013008056	7.455931955649724	1.359021942641668	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)cnn3c4cccc(n4)C(=O)NCCN5CCOCC5)Cl	P45983	P53779	5.154281982033341	6.1938200260161125	1.0395380439827715	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4ccc(cc4)C(=O)O)Cl	P45983	P53779	6.609064892896621	7.494850021680094	0.885785128783473	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)N)Cl	P45983	P53779	7.0915149811213505	8.481486060122112	1.3899710790007616	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)NCCCN5CCOCC5)Cl	P45983	P53779	6.642065152999546	8.468521082957745	1.8264559299581986	Same Family
[P45983, P53779]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)O)Cl	P45983	P53779	7.214670164989233	8.275724130399212	1.0610539654099789	Same Family
[P45983, P53779]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4	P45983	P53779	6.4156687756324695	8.154901959985743	1.7392331843532736	Same Family
[P45983, P53779]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4	P45983	P53779	6.913640169325252	8.096910013008056	1.1832698436828046	Same Family
[P45983, P53779]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)c4cccnc4	P45983	P53779	6.107905397309519	6.756961951313706	0.6490565540041864	Same Family
[P45983, P53779]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)c4ccco4	P45983	P53779	7.376750709602099	7.7447274948966935	0.3679767852945943	Same Family
[P45983, P53779]	c1ccc(cc1)Nc2cc3cnn(c3nc2)c4cccc(c4)C(=O)NCCN5CCOCC5	P45983	P53779	5.920818753952375	6.769551078621726	0.848732324669351	Same Family
[P45983, P53779]	c1ccc(cc1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	P45983	P53779	5.2716462179787715	7.522878745280337	2.251232527301566	Same Family
[P45983, P53779]	c1ccnc(c1)Nc2ccc3c(c2)cnn3c4cccc(c4)C(=O)NCCN5CCOCC5	P45983	P53779	5.1487416512809245	5.853871964321762	0.7051303130408373	Same Family
[P45983, P53779]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	P45983	P53779	6.889410289700751	6.438898616350944	0.4505116733498076	Same Family
[P45983, P53779]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P45983	P53779	5.982966660701219	5.6777807052660805	0.3051859554351388	Same Family
[P45983, P45984]	CC(=O)NC1CCC(CC1)Nc2nccc(n2)n3c4ccccc4nn3	P45983	P45984	7.4089353929735005	6.638272163982407	0.7706632289910935	Same Family
[P45983, P45984]	CC(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCC(CC5)S(=O)(=O)C	P45983	P45984	7.8808370350555474	7.309803919971486	0.5710331150840613	Same Family
[P45983, P45984]	CC(=O)NCCNc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.229147988357856	7.0915149811213505	0.13763300723650573	Same Family
[P45983, P45984]	CC(=O)Nc1cc(c(c(n1)OC)C#N)N	P45983	P45984	5.657577319177793	5.346787486224656	0.31078983295313733	Same Family
[P45983, P45984]	CC(=O)Nc1cc(c(c(n1)OC2CCOC2)C#N)N	P45983	P45984	6.050609993355088	5.5376020021010435	0.5130079912540442	Same Family
[P45983, P45984]	CC(=O)Nc1cc(c(c(n1)OCCC(=O)O)C#N)N	P45983	P45984	5.318758762624412	5.309803919971486	0.008954842652926231	Same Family
[P45983, P45984]	CC(=O)Nc1cc(c(c(n1)c2ccccc2)C#N)N	P45983	P45984	5.721246399047171	5.113509274827518	0.6077371242196534	Same Family
[P45983, P45984]	CC(C(C)(C)C)Nc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C	P45983	P45984	6.958607314841775	6.657577319177793	0.30102999566398125	Same Family
[P45983, P45984]	CC(C)(C1CCC(CC1)Nc2nccc(n2)n3c4cccc(c4cn3)OCCCS(=O)(=O)C)O	P45983	P45984	8.397940008672037	7.6777807052660805	0.720159303405957	Same Family
[P45983, P45984]	CC(C)(C1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4OCCCS(=O)(=O)C)O	P45983	P45984	8.397940008672037	7.568636235841013	0.8293037728310244	Same Family
[P45983, P45984]	CC(C)C(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P45984	6.3979400086720375	6.795880017344075	0.3979400086720375	Same Family
[P45983, P45984]	CC(C)C(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P45984	7.042881326116129	7.191132982317991	0.14825165620186187	Same Family
[P45983, P45984]	CC(C)C(CO)Nc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	5.823908740944319	5.853871964321762	0.02996322337744317	Same Family
[P45983, P45984]	CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)c2c3ccccc3[nH]n2)C(=O)NC(=O)C4COc5cc(ccc5O4)OC	P45983	P45984	6.962573502059376	6.473660722610156	0.48891277944921985	Same Family
[P45983, P45984]	CC(C)COc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.055517327849832	6.431798275933005	0.6237190519168267	Same Family
[P45983, P45984]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)[nH]c3n2	P45983	P45984	5.701583619938705	5.462180904926726	0.23940271501197952	Same Family
[P45983, P45984]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C	P45983	P45984	6.518557371497695	6.334419008982047	0.18413836251564852	Same Family
[P45983, P45984]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P45984	7.6777807052660805	7.180456064458132	0.4973246408079488	Same Family
[P45983, P45984]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCCC4	P45983	P45984	8.154901959985743	7.920818753952375	0.23408320603336819	Same Family
[P45983, P45984]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCOCC4	P45983	P45984	6.3585258894959	6.36251027048749	0.003984380991589376	Same Family
[P45983, P45984]	CC(C)NC(=O)c1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	6.366531544420414	6.920818753952375	0.5542872095319611	Same Family
[P45983, P45984]	CC(C)Nc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.173925197299173	7.075720713938118	0.09820448336105514	Same Family
[P45983, P45984]	CC(C)Nc1c(c(cc(n1)NC(=O)C)N)C#N	P45983	P45984	6.040958607678906	5.522878745280337	0.5180798623985687	Same Family
[P45983, P45984]	CC(C)Oc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.823908740944319	7.42021640338319	0.40369233756112877	Same Family
[P45983, P45984]	CC(C)Oc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)Cl	P45983	P45984	7.1249387366083	7.167491087293763	0.04255235068546348	Same Family
[P45983, P45984]	CC(C)Oc1c(c(cc(n1)NC(=O)C)N)C#N	P45983	P45984	6.508638306165727	6.327902142064283	0.180736164101444	Same Family
[P45983, P45984]	CC(C)Oc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)S(=O)(=O)C)OC)N)C#N	P45983	P45984	7.853871964321762	7.1938200260161125	0.6600519383056493	Same Family
[P45983, P45984]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)NC(=O)NC4CCCC4	P45983	P45984	7.3979400086720375	7.187086643357144	0.21085336531489318	Same Family
[P45983, P45984]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)O	P45983	P45984	7.7447274948966935	7.7447274948966935	0.0	Same Family
[P45983, P45984]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCOCC3	P45983	P45984	6.497572880015567	6.617982957425132	0.12041007740956466	Same Family
[P45983, P45984]	CC(C)n1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P45984	5.297052753818444	6.801342913045577	1.504290159227133	Same Family
[P45983, P45984]	CC(c1ccccc1)Nc2cc(ccn2)c3c(nc(s3)C4CCN(CC4)C)c5ccc(cc5)F	P45983	P45984	5.721246399047171	6.583359492661719	0.862113093614548	Same Family
[P45983, P45984]	CC1(CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCC(CC5)S(=O)(=O)C)O	P45983	P45984	7.685030330381988	7.180456064458132	0.5045742659238561	Same Family
[P45983, P45984]	CC1CCC(CC1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	P45983	P45984	3.7569619513137056	3.779891911959945	0.022929960646239422	Same Family
[P45983, P45984]	CC=Cc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.0713337517843655	6.611649408005794	0.45968434377857115	Same Family
[P45983, P45984]	CCCCC(=O)Nc1cc(c(c(n1)OCC)C#N)N	P45983	P45984	6.455931955649724	6.161150909262744	0.29478104638698	Same Family
[P45983, P45984]	CCCCNC(=O)C1CCN(CC1)CC(=O)Nc2cc(c(c(n2)OCC)C#N)N	P45983	P45984	7.161150909262744	6.7447274948966935	0.4164234143660508	Same Family
[P45983, P45984]	CCCCOc1c(c(cc(n1)NC(=O)C)N)C#N	P45983	P45984	5.6777807052660805	5.331334584545508	0.34644612072057246	Same Family
[P45983, P45984]	CCCN(CCO)CC(=O)Nc1cc(c(c(n1)OCC)C#N)N	P45983	P45984	6.795880017344075	6.130768280269024	0.6651117370750512	Same Family
[P45983, P45984]	CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.920818753952375	7.102372908709558	0.8184458452428167	Same Family
[P45983, P45984]	CCN(CC)C(=O)C1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4OCCCS(=O)(=O)C	P45983	P45984	7.853871964321762	7.2441251443275085	0.6097468199942533	Same Family
[P45983, P45984]	CCN(CC)CC(=O)Nc1cc(c(c(n1)OCC)C#N)N	P45983	P45984	5.568636235841013	5.200659450546418	0.3679767852945952	Same Family
[P45983, P45984]	CCNC(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P45984	7.070581074285707	6.943095148663527	0.12748592562217986	Same Family
[P45983, P45984]	CCNC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P45983	P45984	7.573455235074067	7.399848408509207	0.1736068265648596	Same Family
[P45983, P45984]	CCNC(=O)c1ccc(cc1)Cc2c(=O)c3ccc(cc3n(c2C(=O)OC)c4ccccc4)Cl	P45983	P45984	7.42021640338319	7.026872146400302	0.3933442569828882	Same Family
[P45983, P45984]	CCNC(=O)c1ccc(cc1)Cc2c(=O)c3ccc(nc3n(c2C(=O)OC)c4ccccc4)C	P45983	P45984	7.346787486224656	7.060480747381382	0.2863067388432743	Same Family
[P45983, P45984]	CCOC(=O)C1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4OCc5ccccc5	P45983	P45984	7.31069114087638	6.981715691573469	0.3289754493029111	Same Family
[P45983, P45984]	CCOC(=O)C1CCC(CC1)Nc2nccc(n2)n3c4cccc(c4cn3)N5CCC(CC5)S(=O)(=O)C	P45983	P45984	7.5718652059712115	7.568636235841013	0.0032289701301984053	Same Family
[P45983, P45984]	CCOC(=O)C1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCC(CC5)S(=O)(=O)C	P45983	P45984	7.906416224886441	7.3979400086720375	0.5084762162144036	Same Family
[P45983, P45984]	CCOC1CCN(C1)C(=O)C2CCC(CC2)Nc3nccc(n3)n4ccc5c4cccc5N6CCC(CC6)S(=O)(=O)C	P45983	P45984	7.634774302517809	7.0655015487564325	0.5692727537613766	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NC)N)C#N	P45983	P45984	5.920818753952375	6.214670164989233	0.29385141103685797	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2cc(ccc2OC)OC)N)C#N	P45983	P45984	7.1487416512809245	6.920818753952375	0.22792289732854965	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#C	P45983	P45984	6.455931955649724	6.522878745280337	0.06694678963061307	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#CC=CCO	P45983	P45984	5.809668301829708	5.364516253185088	0.4451520486446201	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#CCCO	P45983	P45984	5.649751981665837	5.336299074610352	0.3134529070554848	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	7.721246399047171	6.920818753952375	0.8004276450947962	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C(=O)N	P45983	P45984	6.497572880015567	6.013676222949234	0.48389665706633256	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C=C	P45983	P45984	5.928117992693875	5.835647144215563	0.0924708484783121	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C=CC#C	P45983	P45984	7.102372908709558	6.522878745280337	0.5794941634292208	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C=CC#N	P45983	P45984	6.3872161432802645	5.747146969020107	0.6400691742601579	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C=CC(C)(C)C	P45983	P45984	5.533132379645891	5.380906669373258	0.1522257102726332	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C=Cc3ccccc3	P45983	P45984	5.614393726401688	5.384049948343599	0.2303437780580886	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)Cl	P45983	P45984	7.619788758288394	7.130768280269024	0.4890204780193699	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(nc2)c3ccc(cc3)C(=O)O)N)C#N	P45983	P45984	8.397940008672037	7.958607314841775	0.43933269383026285	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccccc2)N)C#N	P45983	P45984	6.568636235841013	6.721246399047171	0.15261016320615806	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2ccccc2S(=O)(=O)N)N)C#N	P45983	P45984	7.920818753952375	7.275724130399211	0.645094623553164	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)C(=O)NCc2cccnc2)N)C#N	P45983	P45984	7.585026652029182	7.3872161432802645	0.19781050874891726	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)C(C)C)N)C#N	P45983	P45984	5.3979400086720375	5.075720713938118	0.3222192947339195	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)C)N)C#N	P45983	P45984	6.100329725273209	5.958607314841775	0.1417224104314343	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)CC(C)C)N)C#N	P45983	P45984	5.853871964321762	5.455931955649724	0.3979400086720375	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C)N)C#N	P45983	P45984	7.060480747381382	6.886056647693163	0.1744240996882187	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)CN2CCC(CC2)O)N)C#N	P45983	P45984	6.522878745280337	6.1938200260161125	0.3290587192642249	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)CN2CCCCC2)N)C#N	P45983	P45984	6.292429823902063	5.468521082957745	0.8239087409443187	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)CN2CCOCC2)N)C#N	P45983	P45984	6.568636235841013	5.920818753952375	0.6478174818886382	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N	P45983	P45984	7.113509274827518	6.795880017344075	0.31762925748344273	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)NC(=O)C)OC)N)C#N	P45983	P45984	7.455931955649724	7.585026652029182	0.12909469637945747	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)S(=O)(=O)C)OC)N)C#N	P45983	P45984	7.42021640338319	6.823908740944319	0.5963076624388712	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)S(=O)(=O)C)OC)N)Cl	P45983	P45984	7.443697499232713	7.154901959985743	0.2887955392469701	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)[N+](=O)[O-])OC)N)C#N	P45983	P45984	7.161150909262744	7.0	0.16115090926274434	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cc(ccc2OC)OC)N)C#N	P45983	P45984	7.346787486224656	6.795880017344075	0.5509074688805811	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccc(cc2)C)N)C#N	P45983	P45984	6.721246399047171	6.443697499232713	0.27754889981445796	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccc(cc2)Cl)N)C#N	P45983	P45984	6.236572006437063	6.214670164989233	0.02190184144783025	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccc(cc2)OC)N)C#N	P45983	P45984	6.7447274948966935	6.562249437179612	0.18247805771708148	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cccc(c2)C)N)C#N	P45983	P45984	6.376750709602099	6.102372908709558	0.27437780089254105	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cccc(c2)Cl)N)C#N	P45983	P45984	6.522878745280337	6.045757490560675	0.4771212547196626	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2cccc(c2)OC)N)C#N	P45983	P45984	6.6777807052660805	6.508638306165727	0.16914239910035356	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccccc2)N)C#N	P45983	P45984	6.2441251443275085	6.113509274827518	0.13061586949999082	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccccc2C)N)C#N	P45983	P45984	6.3979400086720375	6.130768280269024	0.26717172840301373	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccccc2Cl)N)C#N	P45983	P45984	5.958607314841775	5.309803919971486	0.6488033948702885	Same Family
[P45983, P45984]	CCOc1c(c(cc(n1)NC(=O)Cc2ccccc2OC)N)C#N	P45983	P45984	6.920818753952375	6.585026652029182	0.3357921019231931	Same Family
[P45983, P45984]	CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	P45983	P45984	6.092051478387727	5.943095148663527	0.14895632972420003	Same Family
[P45983, P45984]	CN(C)CC=CC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4c5ccccn5nc4c6ccccc6	P45983	P45984	8.886056647693163	9.301029995663981	0.4149733479708182	Same Family
[P45983, P45984]	CN(C)CC=CC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4	P45983	P45984	8.823908740944319	9.154901959985743	0.3309932190414244	Same Family
[P45983, P45984]	CN(C)CCNc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	5.136677139879544	5.036212172654444	0.10046496722509968	Same Family
[P45983, P45984]	CN(C)CCn1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P45984	6.120330794367947	7.180456064458132	1.060125270090185	Same Family
[P45983, P45984]	CN(C)S(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3c4ccccc4nn3	P45983	P45984	7.721246399047171	7.119186407719209	0.6020599913279625	Same Family
[P45983, P45984]	CN(C)c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4c[nH]nc4	P45983	P45984	6.995678626217358	7.229147988357856	0.2334693621404984	Same Family
[P45983, P45984]	CN1CCN(CC1)c2ccc3c(n2)nc(n3c4ccnc(n4)NC5CCCC5)c6ccc(cc6)F	P45983	P45984	5.823908740944319	7.327902142064283	1.5039934011199643	Same Family
[P45983, P45984]	CNS(=O)(=O)c1ccc(cc1)Cc2c(=O)c3ccc(cc3n(c2C(=O)OC)c4ccccc4)Cl	P45983	P45984	7.327902142064283	6.769551078621726	0.558351063442557	Same Family
[P45983, P45984]	CNc1nccc(n1)c2c([nH]c(n2)C3CCNCC3)c4cccc(c4)C(F)(F)F	P45983	P45984	3.4145392704914994	3.393618634889395	0.020920635602104554	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)Cl)Cc4ccc(cc4)C(=O)NCCO	P45983	P45984	7.2076083105017466	6.769551078621726	0.43805723188002066	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)Cl)Cc4ccc(cc4)S(=O)(=O)N5CCNCC5	P45983	P45984	7.522878745280337	7.301029995663981	0.22184874961635614	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)Cl)Cc4ccccc4	P45983	P45984	6.431798275933005	6.017728766960432	0.414069508972573	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)CN4CCC(C4)S(=O)(=O)C	P45983	P45984	7.080890389046187	6.077187461161504	1.0037029278846834	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)CN4CCC(CC4)S(=O)(=O)C	P45983	P45984	7.638272163982407	6.853871964321762	0.7844001996606451	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)CN4CCN(CC4)S(=O)(=O)C	P45983	P45984	7.187086643357144	6.294992040666664	0.8920946026904799	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)CN4CCOCC4	P45983	P45984	6.943095148663527	6.045757490560675	0.8973376581028525	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO	P45983	P45984	7.236572006437063	6.6595558851598815	0.5770161212771816	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)N5CCC(CC5)O	P45983	P45984	7.301029995663981	6.698970004336019	0.6020599913279625	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(cc2n1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)N5CCNCC5	P45983	P45984	7.522878745280337	7.154901959985743	0.3679767852945943	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(nc2n1c3ccccc3)C(F)(F)F)Cc4ccc(cc4)C(=O)NCCO	P45983	P45984	7.096910013008056	6.7544873321858505	0.3424226808222057	Same Family
[P45983, P45984]	COC(=O)c1c(c(=O)c2ccc(nc2n1c3ccccc3)C(F)(F)F)Cc4ccc(cc4)S(=O)(=O)C	P45983	P45984	7.086186147616283	6.657577319177793	0.4286088284384899	Same Family
[P45983, P45984]	COC(=O)c1c(c2cc(ccc2c(=O)n1Cc3ccc(cc3)S(=O)(=O)C)Br)c4ccccc4	P45983	P45984	7.444705144850376	7.142667503568732	0.3020376412816441	Same Family
[P45983, P45984]	COC1CCN(CC1)C(=O)C2CCC(CC2)Nc3nccc(n3)n4ccc5c4cccc5OCCCS(=O)(=O)C	P45983	P45984	8.327902142064282	7.552841968657781	0.7750601734065015	Same Family
[P45983, P45984]	COCCNc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P45983	P45984	6.920818753952375	6.6777807052660805	0.24303804868629442	Same Family
[P45983, P45984]	COCCOc1c(c(cc(n1)NC(=O)Cc2cc(ccc2OC)OC)N)C#N	P45983	P45984	6.958607314841775	6.568636235841013	0.38997107900076156	Same Family
[P45983, P45984]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)N4CCOCC4	P45983	P45984	8.522878745280337	8.522878745280337	0.0	Same Family
[P45983, P45984]	COc1cc2c(cc1Cl)C(=NCC2)c3ccc(c(c3)Cl)Cl	P45983	P45984	4.0	6.0999990348465305	2.0999990348465305	Same Family
[P45983, P45984]	COc1ccc(c(c1)CC(=O)Nc2cc(c(c(n2)OCCO)C#N)N)OC	P45983	P45984	7.130768280269024	6.619788758288394	0.5109795219806301	Same Family
[P45983, P45984]	COc1ccc(c(c1)CC(=O)Nc2cc(c(c(n2)OCCS(=O)(=O)C)C#N)N)OC	P45983	P45984	6.3979400086720375	6.130768280269024	0.26717172840301373	Same Family
[P45983, P45984]	COc1ccc(c(c1)CC(=O)Nc2cc(c(cn2)C#N)N)OC	P45983	P45984	5.585026652029182	5.292429823902063	0.2925968281271185	Same Family
[P45983, P45984]	COc1ccc(cc1)Oc2c(c(cc(n2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)N)C#N	P45983	P45984	6.376750709602099	6.346787486224656	0.02996322337744317	Same Family
[P45983, P45984]	COc1cccc(c1)c2c(c(cc(n2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)N)C#N	P45983	P45984	6.366531544420414	6.221848749616356	0.14468279480405766	Same Family
[P45983, P45984]	COc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.638272163982407	6.749579997691106	0.8886921662913005	Same Family
[P45983, P45984]	CS(=O)(=O)C1CCN(C1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)NS(=O)(=O)C	P45983	P45984	7.356547323513813	6.552841968657781	0.8037053548560325	Same Family
[P45983, P45984]	CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)C(=O)N6CCC(CC6)O	P45983	P45984	7.885564612309315	7.481486060122113	0.4040785521872019	Same Family
[P45983, P45984]	CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)C(=O)N6CCn7cnnc7C6	P45983	P45984	7.931814138253839	7.920818753952375	0.01099538430146385	Same Family
[P45983, P45984]	CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)NS(=O)(=O)C	P45983	P45984	8.0759054415043	7.619788758288394	0.4561166832159067	Same Family
[P45983, P45984]	CS(=O)(=O)C1CCN(CC1)c2cccc3c2cnn3c4ccnc(n4)NC5CCC(CC5)O	P45983	P45984	8.078568094968611	7.769551078621726	0.3090170163468855	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccc2c1ccn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCC(C5)F	P45983	P45984	7.853871964321762	7.1938200260161125	0.6600519383056493	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccc2c1ccn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCC(C5)O	P45983	P45984	8.013228265733755	7.327902142064283	0.6853261236694719	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccc2c1ccn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCC(CC5)(F)F	P45983	P45984	7.795880017344075	7.292429823902063	0.5034501934420117	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccc2c1ccn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCC(CC5)O	P45983	P45984	7.795880017344075	7.180456064458132	0.6154239528859433	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	8.207608310501746	7.619788758288394	0.587819552213352	Same Family
[P45983, P45984]	CS(=O)(=O)CCCOc1cccn2c1ncc2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCC(CC5)O	P45983	P45984	7.665546248849069	7.298432014944073	0.36711423390499665	Same Family
[P45983, P45984]	CS(=O)(=O)CCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.481486060122113	6.82102305270683	0.6604630074152826	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4	P45983	P45984	7.246416941107094	6.669992299127241	0.5764246419798527	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4OCc5ccccc5	P45983	P45984	7.6252516539898965	7.278189384787454	0.34706226920244276	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3c4ccccc4nn3	P45983	P45984	7.619788758288394	7.013228265733755	0.6065604925546388	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCCCC5	P45983	P45984	7.026872146400302	6.187086643357144	0.8397855030431574	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCN(CC5)C(=O)CC#N	P45983	P45984	8.003309221769282	7.443697499232713	0.5596117225365687	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCN(CC5)C(=O)CO	P45983	P45984	7.583426444043607	7.167491087293763	0.41593535674984405	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4N5CCN(CC5)S(=O)(=O)C	P45983	P45984	7.27022099792062	6.7447274948966935	0.5254935030239265	Same Family
[P45983, P45984]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3ccc4c3cccc4OCC5CCS(=O)(=O)C5	P45983	P45984	8.167491087293763	7.455931955649724	0.7115591316440391	Same Family
[P45983, P45984]	CS(=O)(=O)NCCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.251811972993799	6.609064892896621	0.6427470800971786	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)C=CC(=O)O)C#N)N	P45983	P45984	6.522878745280337	6.366531544420414	0.1563472008599236	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)C=CCCO)C#N)N	P45983	P45984	6.769551078621726	6.619788758288394	0.14976232033333226	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)C=Cc3ccccc3)C#N)N	P45983	P45984	5.838631997765025	5.889410289700751	0.05077829193572647	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)CCC(=O)O)C#N)N	P45983	P45984	5.785156151952302	5.1598939055432425	0.6252622464090596	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)Cl)C#N)N	P45983	P45984	5.823908740944319	5.356547323513812	0.4673614174305065	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NC(CO)CO)C#N)N	P45983	P45984	7.119186407719209	7.0	0.11918640771920863	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NC3CC3)C#N)N	P45983	P45984	7.494850021680094	7.161150909262744	0.3336991124173494	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NC3CCC3)C#N)N	P45983	P45984	7.070581074285707	6.795880017344075	0.27470105694163216	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NC3CCCC3)C#N)N	P45983	P45984	7.017728766960432	6.537602002101044	0.48012676485938766	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NCCC(=O)N)C#N)N	P45983	P45984	7.180456064458132	7.060480747381382	0.11997531707674991	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NCCCO)C#N)N	P45983	P45984	7.267606240177032	6.7447274948966935	0.5228787452803383	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NCCO)C#N)N	P45983	P45984	7.031517051446065	6.823908740944319	0.20760831050174655	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NCCc3ccccc3)C#N)N	P45983	P45984	6.585026652029182	6.0	0.5850266520291818	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)NCc3ccccc3)C#N)N	P45983	P45984	6.086186147616283	5.327902142064283	0.7582840055520004	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)OCC3CC3)C#N)N	P45983	P45984	7.638272163982407	7.327902142064283	0.310370021918124	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)OCC3CCCC3)C#N)N	P45983	P45984	6.4089353929735005	6.214670164989233	0.1942652279842676	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3ccc(s3)C(=O)O)C#N)N	P45983	P45984	6.6020599913279625	6.795880017344075	0.19382002601611248	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3cccc(c3)Cl)C#N)N	P45983	P45984	5.928117992693875	6.075720713938118	0.147602721244243	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3cccc(c3)O)C#N)N	P45983	P45984	6.698970004336019	6.619788758288394	0.07918124604762511	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3cccc(c3)S(=O)(=O)C)C#N)N	P45983	P45984	7.366531544420414	7.013228265733755	0.353303278686659	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3cccnc3)C#N)N	P45983	P45984	6.494850021680094	6.468521082957745	0.026328938722349093	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3ccncc3)C#N)N	P45983	P45984	6.275724130399211	6.180456064458132	0.09526806594107917	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3ccoc3)C#N)N	P45983	P45984	6.568636235841013	6.275724130399211	0.29291210544180224	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3ccsc3)C#N)N	P45983	P45984	7.0915149811213505	6.4089353929735005	0.68257958814785	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3ccsc3CO)C#N)N	P45983	P45984	6.2441251443275085	6.167491087293763	0.07663405703374515	Same Family
[P45983, P45984]	CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc(c(c(n2)c3cncnc3)C#N)N	P45983	P45984	6.2076083105017466	6.0655015487564325	0.142106761745314	Same Family
[P45983, P45984]	Cc1c2c(=O)c3cc(ccc3n(c2n(n1)C)O)Cl	P45983	P45984	5.913640169325252	5.508638306165727	0.4050018631595247	Same Family
[P45983, P45984]	Cc1cc(cc(n1)C)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P45984	5.342561677297038	6.251037138743839	0.9084754614468009	Same Family
[P45983, P45984]	Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)NC(=O)C=CCN(C)C	P45983	P45984	8.327902142064282	9.0	0.672097857935718	Same Family
[P45983, P45984]	Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P45984	5.562249437179612	5.547293773488971	0.01495566369064072	Same Family
[P45983, P45984]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NC(=O)C=CCN(C)C	P45983	P45984	5.1090204030103115	5.373659632624958	0.26463922961464625	Same Family
[P45983, P45984]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P45983	P45984	6.410050398674292	6.761953896871205	0.35190349819691313	Same Family
[P45983, P45984]	Cc1ccc(cn1)CNC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P45983	P45984	5.108406795651034	6.368556230986828	1.2601494353357934	Same Family
[P45983, P45984]	Cc1ccc(cn1)NC(=O)c2ccc(c(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl)F	P45983	P45984	5.625434939277235	6.8297382846050425	1.2043033453278076	Same Family
[P45983, P45984]	Cc1ccc(cn1)c2ncn(n2)c3ccc(cc3)Nc4nccc(n4)c5cccc(c5)N6CCOCC6	P45983	P45984	7.173925197299173	6.54821356447571	0.6257116328234629	Same Family
[P45983, P45984]	Cc1ccc2c(=O)c(c(n(c2n1)c3cccc(c3)N)C(=O)OC)Cc4ccc(cc4)S(=O)(=O)C	P45983	P45984	7.853871964321762	7.494850021680094	0.3590219426416681	Same Family
[P45983, P45984]	Cc1ccc2c(=O)c(c(n(c2n1)c3ccccc3)C(=O)OC)Cc4ccc(cc4)C(=O)NCCO	P45983	P45984	7.522878745280337	7.1938200260161125	0.3290587192642249	Same Family
[P45983, P45984]	Cc1ccc2c(=O)c(c(n(c2n1)c3ccccc3)C(=O)OC)Cc4ccc(cc4)S(=O)(=O)N5CCNCC5	P45983	P45984	7.7447274948966935	7.552841968657781	0.19188552623891297	Same Family
[P45983, P45984]	Cn1c2c(c(=O)c3cc(ccc3n2O)Cl)c(n1)C(F)(F)F	P45983	P45984	6.008773924307505	5.522878745280337	0.4858951790271675	Same Family
[P45983, P45984]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCCOCC5	P45983	P45984	6.779891911959945	6.4698003017969175	0.31009161016302755	Same Family
[P45983, P45984]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCOCC5	P45983	P45984	7.130768280269024	6.910094888560602	0.22067339170842182	Same Family
[P45983, P45984]	Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)n5cnc(n5)N6CCOCC6	P45983	P45984	7.301029995663981	7.045757490560675	0.25527250510330646	Same Family
[P45983, P45984]	c1cc(ccc1CC2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F	P45983	P45984	7.327902142064283	6.920818753952375	0.40708338811190803	Same Family
[P45983, P45984]	c1cc(ccc1N=c2[nH]ccc(n2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	P45983	P45984	7.00436480540245	7.00436480540245	0.0	Same Family
[P45983, P45984]	c1cc(ccc1c2c(oc(n2)C3(CCNCC3)O)c4ccnc(c4)NC5CCCCC5)F	P45983	P45984	6.823908740944319	7.522878745280337	0.6989700043360187	Same Family
[P45983, P45984]	c1cc2c(cnn2c3ccnc(n3)NC4CCC(CC4)O)c(c1)OCC(CO)O	P45983	P45984	7.468521082957745	6.7121982700697735	0.7563228128879711	Same Family
[P45983, P45984]	c1cc2c(cnn2c3ccnc(n3)NC4CCC(CC4)O)c(c1)OCCCO	P45983	P45984	7.619788758288394	6.856985199745905	0.7628035585424886	Same Family
[P45983, P45984]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCCC4=O)Cl	P45983	P45984	9.619788758288394	9.619788758288394	0.0	Same Family
[P45983, P45984]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P45983	P45984	9.0	9.0	0.0	Same Family
[P45983, P45984]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)C5CCNC5)Cl	P45983	P45984	6.277366077466188	6.6777807052660805	0.40041462779989256	Same Family
[P45983, P45984]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)C5CCNCC5)Cl	P45983	P45984	6.168130225719499	7.6020599913279625	1.4339297656084637	Same Family
[P45983, P45984]	c1ccc(cc1)COc2cccn3c2ncc3c4ccnc(n4)NC5CCC(CC5)C(=O)N6CCC(CC6)O	P45983	P45984	7.47755576649368	7.252588192113577	0.22496757438010295	Same Family
[P45983, P45984]	c1ccc(cc1)COc2cccn3c2ncc3c4ccnc(n4)NC5CCC(CC5)O	P45983	P45984	7.570247719997592	7.306273051076353	0.26397466892123944	Same Family
[P45983, P45984]	c1ccc(cc1)Cn2c(=O)c3ccc(cc3n(c2=O)c4ccccc4)Cl	P45983	P45984	5.638272163982407	5.42021640338319	0.21805576059921705	Same Family
[P45983, P45984]	c1ccc(cc1)Cn2c(=O)c3ccccc3n(c2=O)c4ccccc4	P45983	P45984	5.552841968657781	5.031517051446065	0.5213249172117154	Same Family
[P45983, P45984]	c1ccc2c(c1)CCN2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	6.113509274827518	5.5376020021010435	0.5759072727264742	Same Family
[P45983, P45984]	c1ccc2c(c1)c(c[nH]2)c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	6.853871964321762	6.142667503568732	0.7112044607530299	Same Family
[P45983, P45984]	c1ccc2c(c1)c(n[nH]2)c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	6.6020599913279625	6.187086643357144	0.4149733479708182	Same Family
[P45983, P45984]	c1ccc2c(c1)c3c4c(c2O)cccc4N=N3	P45983	P45984	7.178273661756906	7.3979400086720375	0.21966634691513143	Same Family
[P45983, P45984]	c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.259637310505756	6.455931955649724	0.8037053548560316	Same Family
[P45983, P45984]	c1ccc2c(c1)nnn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCCC5	P45983	P45984	6.920818753952375	6.3979400086720375	0.5228787452803374	Same Family
[P45983, P45984]	c1ccc2c(c1)nnn2c3ccnc(n3)NC4CCC(CC4)C(=O)N5CCOCC5	P45983	P45984	7.200659450546419	6.7447274948966935	0.4559319556497252	Same Family
[P45983, P45984]	c1ccc2c(c1)nnn2c3ccnc(n3)NC4CCC(CC4)N	P45983	P45984	7.130768280269024	6.769551078621726	0.36121720164729787	Same Family
[P45983, P45984]	c1ccc2c(c1)nnn2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.5376020021010435	6.958607314841775	0.5789946872592688	Same Family
[P45983, P45984]	c1ccc2c(c1)nnn2c3ccnc(n3)NC4CCCCC4	P45983	P45984	7.0	6.4089353929735005	0.5910646070264995	Same Family
[P45983, P45984]	c1ccn2c(c1)ncc2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	7.0614814276820175	6.599041013829304	0.46244041385271384	Same Family
[P45983, P45984]	c1ccn2c(c1)nnc2c3ccnc(n3)NC4CCC(CC4)O	P45983	P45984	6.2441251443275085	5.920818753952375	0.32330639037513365	Same Family
[P45983, P45984]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	P45983	P45984	6.889410289700751	6.289036881004725	0.6003734086960266	Same Family
[P45983, P45984]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P45983	P45984	5.982966660701219	5.301029995663981	0.681936665037238	Same Family
[P50750, Q13627]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	Q13627	P50750	5.258748182114252	6.638272163982407	1.3795239818681546	Different Family
[P50750, Q13627]	COc1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	Q13627	P50750	7.4089353929735005	6.6777807052660805	0.73115468770742	Different Family
[P50750, Q13627]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q13627	P50750	7.7447274948966935	5.823908740944319	1.920818753952375	Different Family
[P50750, Q13627]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Cl)C(=O)O	Q13627	P50750	7.638272163982407	6.0	1.638272163982407	Different Family
[P50750, Q13627]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q13627	P50750	7.3872161432802645	5.508638306165727	1.8785778371145376	Different Family
[P50750, Q13627]	COc1cccc2c1[nH]c3c2c(nc4c3cccc4)C(=O)O	Q13627	P50750	7.494850021680094	6.920818753952375	0.5740312677277188	Different Family
[P50750, Q13627]	c1cc2c3c(c4c(cccn4)nc3C(=O)O)[nH]c2c(c1)Br	Q13627	P50750	6.886056647693163	5.698970004336019	1.1870866433571443	Different Family
[P50750, Q13627]	c1cc2c3c(c4c(ccs4)nc3C(=O)O)[nH]c2c(c1)Cl	Q13627	P50750	6.769551078621726	6.455931955649724	0.31361912297200156	Different Family
[P50750, Q13627]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	Q13627	P50750	6.920818753952375	5.823908740944319	1.0969100130080562	Different Family
[P50750, Q13627]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	Q13627	P50750	6.7447274948966935	5.657577319177793	1.0871501757189002	Different Family
[P50750, Q13627]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Br)c(n2)C(=O)O	Q13627	P50750	7.698970004336019	6.795880017344075	0.9030899869919438	Different Family
[P50750, Q13627]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	Q13627	P50750	7.508638306165727	4.823908740944319	2.6847295652214083	Different Family
[Q13627, Q9HAZ1]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	Q9HAZ1	7.1249387366083	6.657577319177793	0.4673614174305065	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1)CNc2ccnc(n2)c3cccc(c3)C#N	Q13627	Q9HAZ1	4.785156151952302	5.036212172654444	0.2510560207021424	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1)CNc2ccnc(n2)c3cccc(c3)OC	Q13627	Q9HAZ1	4.585026652029182	4.634512015109101	0.0494853630799188	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1)CNc2ccnc(n2)c3cccnc3	Q13627	Q9HAZ1	4.484126156288321	4.534617148551582	0.050490992263260814	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	Q9HAZ1	6.314022986429935	6.8569964389602625	0.5429734525303278	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	Q9HAZ1	5.968697727802752	6.516905659521932	0.5482079317191797	Different Family
[Q13627, Q9HAZ1]	COc1ccc(cc1OC)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	Q9HAZ1	4.584692707774432	4.584692707774432	0.0	Different Family
[Q13627, Q9HAZ1]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	Q9HAZ1	5.2836253181997	5.423894979009308	0.1402696608096079	Different Family
[Q13627, Q9HAZ1]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	Q9HAZ1	5.16568531489117	5.20109253529516	0.03540722040399036	Different Family
[Q13627, Q9HAZ1]	COc1cccc(c1)c2nccc(n2)NCc3ccc(cc3)Cl	Q13627	Q9HAZ1	4.684029654543083	4.886056647693163	0.20202699315008044	Different Family
[Q13627, Q9HAZ1]	COc1cccc(c1)c2ncccn2	Q13627	Q9HAZ1	4.585026652029182	4.785156151952302	0.20012949992312024	Different Family
[Q13627, Q9HAZ1]	Cc1ccc(cc1)CNc2ccnc(n2)c3cccc(c3)C#N	Q13627	Q9HAZ1	4.3851027839668655	4.634512015109101	0.24940923114223512	Different Family
[Q13627, Q9HAZ1]	Cc1ccc(cc1)CNc2ccnc(n2)c3cccc(c3)OC	Q13627	Q9HAZ1	4.184422251675732	4.3851027839668655	0.20068053229113314	Different Family
[Q13627, Q9HAZ1]	Cc1ccc(cn1)CNc2ccnc(n2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	4.534617148551582	4.484126156288321	0.050490992263260814	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	Q9HAZ1	5.423390225367713	6.257793131141662	0.834402905773949	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2cc(ncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	Q9HAZ1	4.884722408604099	5.334419008982047	0.4496966003779477	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)OCO4)Br)F	Q13627	Q9HAZ1	5.187086643357144	4.886056647693163	0.30102999566398125	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)OCO4)Cl)F	Q13627	Q9HAZ1	4.835647144215563	5.2839966563652006	0.4483495121496377	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)OCO4)F)Cl	Q13627	Q9HAZ1	4.835647144215563	4.886056647693163	0.050409503477600204	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)OCO4)F)F	Q13627	Q9HAZ1	4.634512015109101	4.982966660701219	0.3484546455921187	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	Q9HAZ1	5.481490845788973	6.5777924797630885	1.0963016339741154	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	Q9HAZ1	7.190453334686628	7.6259059864969	0.43545265181027126	Different Family
[Q13627, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	Q9HAZ1	6.685448174911432	7.522878745280337	0.8374305703689053	Different Family
[Q13627, Q9HAZ1]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q13627	Q9HAZ1	7.5774509799928715	7.265826334793921	0.3116246451989504	Different Family
[Q13627, Q9HAZ1]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q13627	Q9HAZ1	4.961961032123368	5.133670941783116	0.1717099096597483	Different Family
[Q13627, Q9HAZ1]	c1cc(ccc1CNc2cc(ncn2)c3ccc4c(c3)OCO4)Cl	Q13627	Q9HAZ1	5.034798298974088	5.634512015109101	0.599713716135013	Different Family
[Q13627, Q9HAZ1]	c1cc(ccc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl	Q13627	Q9HAZ1	6.585026652029182	7.301029995663981	0.7160033436347994	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2c(cncn2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	4.584692707774432	5.078857521161718	0.494164813387286	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2cc(ncn2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	4.784626847216578	5.184422251675732	0.3997954044591543	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q13627	Q9HAZ1	6.322130608198982	6.5324984242731725	0.2103678160741902	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q13627	Q9HAZ1	5.76374025160565	6.212833862884182	0.4490936112785313	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	7.77642098432889	7.747425010840047	0.02899597348884342	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q13627	Q9HAZ1	7.019289452966776	7.372363747448347	0.353074294481571	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4cn[nH]c4c3	Q13627	Q9HAZ1	6.6777807052660805	7.3979400086720375	0.720159303405957	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)c2nccc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	Q9HAZ1	4.3851027839668655	4.886056647693163	0.5009538637262976	Different Family
[Q13627, Q9HAZ1]	c1cc(cnc1)c2nccc(n2)NCc3ccc(cc3)Cl	Q13627	Q9HAZ1	4.534617148551582	4.785156151952302	0.25053900340072044	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3cc(ncn3)NCc4cc(cc(c4)Cl)Cl)OCO2	Q13627	Q9HAZ1	5.484126156288321	5.785156151952302	0.30102999566398125	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q13627	Q9HAZ1	7.556754637413759	7.721848749616356	0.1650941122025973	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q13627	Q9HAZ1	6.627306439339995	6.975779098224798	0.34847265888480283	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q13627	Q9HAZ1	7.244058319510563	7.022878745280337	0.22117957423022538	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q13627	Q9HAZ1	6.06738877185491	7.026773867493463	0.9593850956385532	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cc(c(c(c4)F)F)F)OCO2	Q13627	Q9HAZ1	4.684029654543083	5.086186147616283	0.40215649307320067	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cc(cc(c4)F)F)OCO2	Q13627	Q9HAZ1	4.886056647693163	5.2839966563652006	0.3979400086720375	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cc(cnc4)Br)OCO2	Q13627	Q9HAZ1	4.585026652029182	5.086186147616283	0.5011594955871015	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cc(cnc4)Cl)OCO2	Q13627	Q9HAZ1	4.585026652029182	4.735182176990463	0.15015552496128137	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cc(cnc4)F)OCO2	Q13627	Q9HAZ1	4.634512015109101	5.086186147616283	0.4516741325071827	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4ccc(nc4)Br)OCO2	Q13627	Q9HAZ1	4.585026652029182	4.585026652029182	0.0	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4ccc(nc4)Cl)OCO2	Q13627	Q9HAZ1	4.534617148551582	4.534617148551582	0.0	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4ccc(nc4)F)OCO2	Q13627	Q9HAZ1	4.484126156288321	4.534617148551582	0.050490992263260814	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4ccncc4)OCO2	Q13627	Q9HAZ1	4.585026652029182	4.634512015109101	0.0494853630799188	Different Family
[Q13627, Q9HAZ1]	c1cc2c(cc1c3nccc(n3)NCc4cncnc4)OCO2	Q13627	Q9HAZ1	4.585026652029182	4.585026652029182	0.0	Different Family
[Q13627, Q9HAZ1]	c1ccc(cc1)CNc2ccnc(n2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	4.585026652029182	4.634512015109101	0.0494853630799188	Different Family
[Q13627, Q9HAZ1]	c1ccc2c(c1)cc(cn2)CNc3ccnc(n3)c4ccc5c(c4)OCO5	Q13627	Q9HAZ1	4.534617148551582	4.3851027839668655	0.14951436458471612	Different Family
[Q13627, Q9HAZ1]	c1ccnc(c1)CNc2ccnc(n2)c3ccc4c(c3)OCO4	Q13627	Q9HAZ1	4.484126156288321	5.036212172654444	0.5520860163661236	Different Family
[P49759, Q13627]	CC(=O)c1cc2cc(ccc2s1)O	Q13627	P49759	6.698970004336019	7.221848749616356	0.5228787452803374	Different Family
[P49759, Q13627]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	P49759	7.1249387366083	6.769551078621726	0.355387657986574	Different Family
[P49759, Q13627]	CC1(C=Cc2c3c(c(=O)c4cccc(c4n3C)O)c5c(c2O1)cco5)C	Q13627	P49759	5.2441251443275085	5.154901959985743	0.08922318434176546	Different Family
[P49759, Q13627]	CC1CC(=Cc2ccc(cc2)OC)C(=O)O1	Q13627	P49759	5.920818753952375	5.359518563029578	0.5613001909227968	Different Family
[P49759, Q13627]	CC1CC(=Cc2ccc3c(c2)scn3)C(=O)O1	Q13627	P49759	5.966576244513051	6.769551078621726	0.8029748341086753	Different Family
[P49759, Q13627]	CCN1c2cc(ccc2SC1=CC(=O)C)OC	Q13627	P49759	6.056219479534995	6.769551078621726	0.7133315990867306	Different Family
[P49759, Q13627]	CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)C(=CN)C#N	Q13627	P49759	7.259637310505756	7.698970004336019	0.43933269383026285	Different Family
[P49759, Q13627]	CN(C(=O)c1cc2cc(ccc2s1)OC)OC	Q13627	P49759	6.045757490560675	7.0	0.9542425094393252	Different Family
[P49759, Q13627]	COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F	Q13627	P49759	7.3979400086720375	7.1487416512809245	0.24919835739111296	Different Family
[P49759, Q13627]	COc1ccc(cc1)C=C2C(=O)NC(=O)N2	Q13627	P49759	5.1938200260161125	5.0	0.19382002601611248	Different Family
[P49759, Q13627]	COc1ccc(cc1)C=C2C(=O)NC(=S)S2	Q13627	P49759	6.6020599913279625	5.2441251443275085	1.357934847000454	Different Family
[P49759, Q13627]	COc1ccc(cc1)C=C2C(=O)SC(=O)N2	Q13627	P49759	5.886056647693163	5.443697499232713	0.4423591484604499	Different Family
[P49759, Q13627]	COc1ccc(cc1)C=C2CCCOC2=O	Q13627	P49759	5.958607314841775	5.123782159408358	0.8348251554334167	Different Family
[P49759, Q13627]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	P49759	6.314022986429935	7.119186407719209	0.805163421289274	Different Family
[P49759, Q13627]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	P49759	5.968697727802752	6.557520230935552	0.5888225031327998	Different Family
[P49759, Q13627]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	P49759	5.2836253181997	5.262886905694039	0.02073841250566133	Different Family
[P49759, Q13627]	Cc1ccc(cc1O)C(=O)c2cc3cc(ccc3s2)O	Q13627	P49759	6.698970004336019	7.301029995663981	0.6020599913279625	Different Family
[P49759, Q13627]	Cn1c2ccc(cc2cc1C(=O)c3cccc(c3)O)O	Q13627	P49759	5.468521082957745	5.6777807052660805	0.20925962230833584	Different Family
[P49759, Q13627]	c1cc(c(cc1C(=O)c2cc3cc(ccc3s2)O)O)F	Q13627	P49759	5.920818753952375	6.522878745280337	0.6020599913279625	Different Family
[P49759, Q13627]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	P49759	5.423390225367713	6.20342566678957	0.7800354414218571	Different Family
[P49759, Q13627]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	P49759	5.481490845788973	5.748848656824645	0.267357811035672	Different Family
[P49759, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	P49759	7.190453334686628	8.096910013008056	0.9064566783214278	Different Family
[P49759, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	P49759	6.685448174911432	7.3872161432802645	0.7017679683688325	Different Family
[P49759, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	Q13627	P49759	6.278634723669314	6.73754891026957	0.4589141866002562	Different Family
[P49759, Q13627]	c1cc(c(cc1O)C(=O)c2cc3cc(ccc3s2)O)F	Q13627	P49759	5.698970004336019	7.301029995663981	1.6020599913279625	Different Family
[P49759, Q13627]	c1cc(cc(c1)C(=O)c2cc3cc(ccc3s2)O)C#N	Q13627	P49759	5.221848749616356	6.3979400086720375	1.1760912590556813	Different Family
[P49759, Q13627]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q13627	P49759	7.5774509799928715	7.468521082957745	0.1089298970351269	Different Family
[P49759, Q13627]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3[nH]2)O	Q13627	P49759	4.823908740944319	5.698970004336019	0.8750612633917001	Different Family
[P49759, Q13627]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3o2)O	Q13627	P49759	5.508638306165727	5.721246399047171	0.21260809288144422	Different Family
[P49759, Q13627]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3s2)O	Q13627	P49759	6.3979400086720375	7.0	0.6020599913279625	Different Family
[P49759, Q13627]	c1cc(cc(c1)O)C(=O)c2ccc3cc(ccc3c2)O	Q13627	P49759	5.5376020021010435	5.721246399047171	0.18364439694612766	Different Family
[P49759, Q13627]	c1cc(ccc1C(=O)c2cc3cc(ccc3o2)O)O	Q13627	P49759	5.013228265733755	6.0	0.9867717342662452	Different Family
[P49759, Q13627]	c1cc(ccc1C(=O)c2cc3cc(ccc3s2)O)O	Q13627	P49759	5.468521082957745	6.522878745280337	1.0543576623225928	Different Family
[P49759, Q13627]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q13627	P49759	4.961961032123368	5.6252516539898965	0.6632906218665289	Different Family
[P49759, Q13627]	c1cc(ccc1Nc2nccc(n2)c3ccc4c(c3)OCO4)Cl	Q13627	P49759	6.423917004662222	5.898940645091884	0.5249763595703376	Different Family
[P49759, Q13627]	c1cc(cnc1)CNc2c(cncn2)c3ccc4c(c3)OCO4	Q13627	P49759	4.584692707774432	5.318306607995436	0.7336139002210036	Different Family
[P49759, Q13627]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q13627	P49759	6.322130608198982	6.015922966097169	0.30620764210181317	Different Family
[P49759, Q13627]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q13627	P49759	5.76374025160565	5.796423225022028	0.03268297341637716	Different Family
[P49759, Q13627]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q13627	P49759	7.77642098432889	7.958607314841775	0.18218633051288435	Different Family
[P49759, Q13627]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q13627	P49759	7.019289452966776	7.136677139879544	0.11738768691276835	Different Family
[P49759, Q13627]	c1cc2c(cc1C=C3C(=O)NC(=S)N3)scn2	Q13627	P49759	6.154901959985743	7.698970004336019	1.5440680443502757	Different Family
[P49759, Q13627]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)CCO2	Q13627	P49759	7.0	6.301029995663981	0.6989700043360187	Different Family
[P49759, Q13627]	c1cc2c(cc1C=C3CCOC3=O)CCCO2	Q13627	P49759	6.031517051446065	5.4089353929735005	0.6225816584725647	Different Family
[P49759, Q13627]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q13627	P49759	7.556754637413759	7.886056647693163	0.3293020102794042	Different Family
[P49759, Q13627]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q13627	P49759	6.627306439339995	6.991399828238082	0.3640933888980866	Different Family
[P49759, Q13627]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q13627	P49759	7.244058319510563	6.7447274948966935	0.49933082461386924	Different Family
[P49759, Q13627]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q13627	P49759	6.06738877185491	7.167491087293763	1.1001023154388534	Different Family
[P49759, Q13627]	c1ccc(cc1)C(=O)c2cc3cc(ccc3s2)O	Q13627	P49759	5.698970004336019	6.698970004336019	1.0	Different Family
[P49759, Q13627]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	Q13627	P49759	7.2839966563652006	5.6777807052660805	1.60621595109912	Different Family
[P49760, Q13627]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	P49760	7.1249387366083	6.167491087293763	0.9574476493145365	Different Family
[P49760, Q13627]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	P49760	6.314022986429935	6.388276691992658	0.07425370556272348	Different Family
[P49760, Q13627]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	P49760	5.968697727802752	5.961777361631282	0.0069203661714700715	Different Family
[P49760, Q13627]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	P49760	5.423390225367713	5.80771138743188	0.38432116206416644	Different Family
[P49760, Q13627]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	P49760	5.481490845788973	6.623423042943488	1.1419321971545147	Different Family
[P49760, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	P49760	7.190453334686628	7.698970004336019	0.5085166696493904	Different Family
[P49760, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	P49760	6.685448174911432	6.721246399047171	0.035798224135739076	Different Family
[P49760, Q13627]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	Q13627	P49760	6.278634723669314	6.367542707815276	0.0889079841459619	Different Family
[P49760, Q13627]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q13627	P49760	7.5774509799928715	7.2839966563652006	0.293454323627671	Different Family
[P49760, Q13627]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q13627	P49760	4.961961032123368	5.055961719945582	0.0940006878222146	Different Family
[P49760, Q13627]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q13627	P49760	6.322130608198982	6.1771783546968955	0.14495225350208685	Different Family
[P49760, Q13627]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q13627	P49760	5.76374025160565	5.72056121171298	0.0431790398926708	Different Family
[P49760, Q13627]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q13627	P49760	7.77642098432889	7.221848749616356	0.5545722347125341	Different Family
[P49760, Q13627]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q13627	P49760	7.019289452966776	6.335358024443875	0.683931428522901	Different Family
[P49760, Q13627]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q13627	P49760	7.556754637413759	7.3872161432802645	0.1695384941334943	Different Family
[P49760, Q13627]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q13627	P49760	6.627306439339995	6.462180904926726	0.16512553441326983	Different Family
[P49760, Q13627]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q13627	P49760	7.244058319510563	6.586700235918748	0.6573580835918147	Different Family
[P49760, Q13627]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q13627	P49760	6.06738877185491	6.636388020107856	0.568999248252946	Different Family
[Q13627, Q92630]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	Q13627	Q92630	7.3979400086720375	7.3979400086720375	0.0	Same Family
[Q13627, Q92630]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	Q92630	7.1249387366083	5.769551078621726	1.355387657986574	Same Family
[Q13627, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	Q13627	Q92630	6.122062572163754	5.761439372640169	0.36062319952358557	Same Family
[Q13627, Q92630]	COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F	Q13627	Q92630	7.3979400086720375	6.275724130399211	1.1222158782728267	Same Family
[Q13627, Q92630]	COc1ccc(cc1)C=C2C(=O)SC(=O)N2	Q13627	Q92630	5.886056647693163	5.036212172654444	0.8498444750387186	Same Family
[Q13627, Q92630]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q13627	Q92630	7.7447274948966935	7.638272163982407	0.1064553309142866	Same Family
[Q13627, Q92630]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Cl)C(=O)O	Q13627	Q92630	7.638272163982407	7.481486060122113	0.156786103860294	Same Family
[Q13627, Q92630]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	Q13627	Q92630	6.494850021680094	5.096910013008056	1.3979400086720375	Same Family
[Q13627, Q92630]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q13627	Q92630	7.3872161432802645	7.102372908709558	0.28484323457070637	Same Family
[Q13627, Q92630]	Cn1cc(c2c1cncc2)c3ccnc(n3)Nc4ccc(cc4OC)N5CCN(CC5)C	Q13627	Q92630	4.522878745280337	3.721246399047171	0.8016323462331663	Same Family
[Q13627, Q92630]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	Q13627	Q92630	7.301029995663981	6.823908740944319	0.4771212547196626	Same Family
[Q13627, Q92630]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	Q13627	Q92630	7.552841968657781	6.886056647693163	0.6667853209646175	Same Family
[Q13627, Q92630]	c1cc(cnc1)c2cc(sc2)c3cncs3	Q13627	Q92630	7.0	7.3979400086720375	0.3979400086720375	Same Family
[Q13627, Q92630]	c1cc2c(cc1Br)c(cn2C(=O)N3CCOCC3)c4ccnc(n4)N	Q13627	Q92630	6.301029995663981	5.853871964321762	0.44715803134221943	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3C(=O)NC(=S)N3)scn2	Q13627	Q92630	6.154901959985743	5.823908740944319	0.3309932190414244	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)CCO2	Q13627	Q92630	7.0	6.0	1.0	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3CCOC3=O)CCO2	Q13627	Q92630	6.017728766960432	6.086186147616283	0.06845738065585127	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3CCOC3=O)OCCO2	Q13627	Q92630	6.055517327849832	5.690369832574102	0.3651474952757301	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3CCOC3=O)OCO2	Q13627	Q92630	6.221848749616356	6.00436480540245	0.21748394421390582	Same Family
[Q13627, Q92630]	c1cc2c(cc1C=C3CCOC3=O)scn2	Q13627	Q92630	6.792513326014591	7.221848749616356	0.42933542360176524	Same Family
[Q13627, Q92630]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	Q13627	Q92630	6.920818753952375	6.886056647693163	0.034762106259211834	Same Family
[Q13627, Q92630]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	Q13627	Q92630	6.7447274948966935	6.657577319177793	0.08715017571890016	Same Family
[Q13627, Q92630]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	Q13627	Q92630	7.386422255129397	7.08339547156902	0.3030267835603775	Same Family
[Q13627, Q92630]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	Q13627	Q92630	7.2839966563652006	5.6777807052660805	1.60621595109912	Same Family
[Q13627, Q92630]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Br)c(n2)C(=O)O	Q13627	Q92630	7.698970004336019	7.795880017344075	0.09691001300805624	Same Family
[Q13627, Q92630]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	Q13627	Q92630	7.508638306165727	7.3979400086720375	0.11069829749368942	Same Family
[O43781, Q13627]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	Q13627	O43781	7.3979400086720375	7.3979400086720375	0.0	Same Family
[O43781, Q13627]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	O43781	7.1249387366083	5.920818753952375	1.204119982655925	Same Family
[O43781, Q13627]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	Q13627	O43781	6.122062572163754	5.853871964321762	0.26819060784199245	Same Family
[O43781, Q13627]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q13627	O43781	7.7447274948966935	5.853871964321762	1.8908555305749317	Same Family
[O43781, Q13627]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	Q13627	O43781	6.494850021680094	5.638272163982407	0.8565778576976868	Same Family
[O43781, Q13627]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q13627	O43781	7.3872161432802645	7.522878745280337	0.13566260200007285	Same Family
[O43781, Q13627]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	Q13627	O43781	7.301029995663981	6.698970004336019	0.6020599913279625	Same Family
[O43781, Q13627]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	Q13627	O43781	7.552841968657781	6.7447274948966935	0.808114473761087	Same Family
[O43781, Q13627]	c1cc2c(cc1Br)c(cn2C(=O)N3CCOCC3)c4ccnc(n4)N	Q13627	O43781	6.301029995663981	5.657577319177793	0.6434526764861879	Same Family
[O43781, Q13627]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	Q13627	O43781	7.386422255129397	6.324875990832918	1.0615462642964788	Same Family
[Q13627, Q9Y463]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	Q13627	Q9Y463	7.3979400086720375	7.3979400086720375	0.0	Same Family
[Q13627, Q9Y463]	CC(=O)c1cc2cc(ccc2s1)O	Q13627	Q9Y463	6.698970004336019	7.0	0.30102999566398125	Same Family
[Q13627, Q9Y463]	CC(C)(C)c1ccc(cc1)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	7.408601448718751	7.027612000892527	0.3809894478262237	Same Family
[Q13627, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q13627	Q9Y463	7.1249387366083	6.455931955649724	0.6690067809585756	Same Family
[Q13627, Q9Y463]	CC1CC(=Cc2ccc(cc2)OC)C(=O)O1	Q13627	Q9Y463	5.920818753952375	4.978810700930062	0.9420080530223132	Same Family
[Q13627, Q9Y463]	CC1CC(=Cc2ccc3c(c2)scn3)C(=O)O1	Q13627	Q9Y463	5.966576244513051	5.774690718274137	0.19188552623891386	Same Family
[Q13627, Q9Y463]	CCOC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc5c(c4)OCO5	Q13627	Q9Y463	8.220403508742175	8.112382699664265	0.10802080907791023	Same Family
[Q13627, Q9Y463]	CN(C(=O)c1cc2cc(ccc2s1)OC)OC	Q13627	Q9Y463	6.045757490560675	5.795880017344075	0.2498774732165998	Same Family
[Q13627, Q9Y463]	CN(C)CCC(c1cccc(c1)Cl)NC(=O)c2ccc(c(c2)NC(=O)c3cc4cnc(nc4[nH]c3=O)OC)Cl	Q13627	Q9Y463	6.806875401645539	6.632644078973981	0.17423132267155772	Same Family
[Q13627, Q9Y463]	CN(C)c1ccc(cc1)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	7.448062304635163	7.191924131908693	0.25613817272646955	Same Family
[Q13627, Q9Y463]	CN(Cc1cccc(c1)Cl)C(=O)c2ccc(c(c2)NC(=O)c3cc4cnc(nc4[nH]c3=O)OC)Cl	Q13627	Q9Y463	6.515700160653214	6.23210238398191	0.2835977766713045	Same Family
[Q13627, Q9Y463]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	Q13627	Q9Y463	6.122062572163754	5.3872161432802645	0.7348464288834897	Same Family
[Q13627, Q9Y463]	CN1CCN(CC1)CCNc2ncc3cc(c(=O)[nH]c3n2)C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c5ccccc5	Q13627	Q9Y463	7.886056647693163	7.508638306165727	0.37741834152743614	Same Family
[Q13627, Q9Y463]	CNC(=O)c1ccc(c(c1)NC(=O)c2cc3cnc(nc3[nH]c2=O)OC)Cl	Q13627	Q9Y463	6.97061622231479	6.605548319173784	0.36506790314100623	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(c(c4)F)O	Q13627	Q9Y463	8.063989204284791	7.958607314841775	0.10538188944301652	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(c(c4)[N+](=O)[O-])O	Q13627	Q9Y463	8.308918507877031	8.245651664288982	0.06326684358804968	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4)C#N	Q13627	Q9Y463	8.410050398674292	8.114073660198569	0.2959767384757228	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4)C(F)(F)F	Q13627	Q9Y463	7.73849922680172	7.598427154323554	0.14007207247816567	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4)Cl	Q13627	Q9Y463	8.94692155651658	8.324221658325914	0.6226998981906657	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4)F	Q13627	Q9Y463	8.217527375833713	8.01592296609717	0.20160440973654303	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Br)F	Q13627	Q9Y463	8.443697499232712	8.183758700008218	0.2599387992244946	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl	Q13627	Q9Y463	9.657577319177793	9.55284196865778	0.10473535052001282	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)F	Q13627	Q9Y463	9.00436480540245	8.787812395596042	0.21655240980640755	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)Br	Q13627	Q9Y463	9.795880017344075	9.619788758288394	0.17609125905568135	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)F	Q13627	Q9Y463	9.0268721464003	8.97061622231479	0.0562559240855105	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc5c(c4)OCO5	Q13627	Q9Y463	8.782516055786093	8.3767507096021	0.40576534618399407	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4cccc(c4)C#N	Q13627	Q9Y463	7.369572124974976	7.142788157683108	0.22678396729186812	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4cccc(c4)Cl	Q13627	Q9Y463	7.86518562967954	7.726304412069908	0.13888121760963212	Same Family
[Q13627, Q9Y463]	COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccccc4	Q13627	Q9Y463	8.742321425130816	8.45842075605342	0.2839006690773971	Same Family
[Q13627, Q9Y463]	COC(=O)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl	Q13627	Q9Y463	8.292429823902063	8.113509274827518	0.17892054907454558	Same Family
[Q13627, Q9Y463]	COc1cc(cc(c1OC)OC)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	6.360413913326574	6.313542489530889	0.0468714237956851	Same Family
[Q13627, Q9Y463]	COc1cc(ccc1Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2)F	Q13627	Q9Y463	9.443697499232712	9.229147988357855	0.21454951087485696	Same Family
[Q13627, Q9Y463]	COc1ccc(c(c1)OC)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	8.020907099361674	7.953504835665291	0.06740226369638247	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)C=C2C(=O)NC(=S)S2	Q13627	Q9Y463	6.6020599913279625	5.823908740944319	0.7781512503836439	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)C=C2C(=O)SC(=O)N2	Q13627	Q9Y463	5.886056647693163	5.2839966563652006	0.6020599913279625	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)C=C2CCCOC2=O	Q13627	Q9Y463	5.958607314841775	5.236572006437063	0.7220353084047115	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)C=C2CCOC2=O	Q13627	Q9Y463	5.7423214251308154	5.42021640338319	0.32210502174762556	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	7.883392256011751	7.7162466166674735	0.16714563934427762	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q13627	Q9Y463	6.314022986429935	6.386158178123931	0.07213519169399607	Same Family
[Q13627, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	Q9Y463	5.968697727802752	6.059981844992337	0.09128411718958507	Same Family
[Q13627, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q13627	Q9Y463	7.7447274948966935	6.638272163982407	1.1064553309142866	Same Family
[Q13627, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Cl)C(=O)O	Q13627	Q9Y463	7.638272163982407	6.0	1.638272163982407	Same Family
[Q13627, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	Q13627	Q9Y463	6.494850021680094	5.522878745280337	0.9719712763997563	Same Family
[Q13627, Q9Y463]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q13627	Q9Y463	7.3872161432802645	5.721246399047171	1.6659697442330934	Same Family
[Q13627, Q9Y463]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q13627	Q9Y463	5.16568531489117	5.1686422145579325	0.0029568996667626024	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)N	Q13627	Q9Y463	7.327902142064283	7.1249387366083	0.20296340545598301	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCCN)c4ccccc4	Q13627	Q9Y463	6.098541678603888	5.997833938243493	0.10070774036039509	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCN)c4ccccc4	Q13627	Q9Y463	7.823908740944319	7.6777807052660805	0.14612803567823818	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)C4CCCCC4	Q13627	Q9Y463	6.521433504406157	6.211124884224583	0.3103086201815737	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c4cccc(c4)Cl	Q13627	Q9Y463	7.920818753952375	7.958607314841775	0.03778856088939975	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CN)c4ccccc4	Q13627	Q9Y463	8.096910013008056	8.045757490560675	0.05115252244738144	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC4(CCNCC4)c5cccc(c5)Cl	Q13627	Q9Y463	5.910448117113546	5.722620025332746	0.1878280917808004	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCCCN	Q13627	Q9Y463	5.79317412396815	6.111259039317107	0.31808491534895733	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCCc4cccc(c4)Cl	Q13627	Q9Y463	6.465973893943865	6.8696662315049934	0.40369233756112877	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCc4cccc(c4)Cl	Q13627	Q9Y463	7.657577319177793	7.167491087293763	0.49008623188403	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCc4ccccc4	Q13627	Q9Y463	6.7447274948966935	7.318758762624412	0.5740312677277188	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCc4cccs4	Q13627	Q9Y463	7.3872161432802645	7.017728766960432	0.36948737631983253	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NCc4ccsc4	Q13627	Q9Y463	7.522878745280337	7.3979400086720375	0.1249387366082999	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)Nc4ccccc4	Q13627	Q9Y463	6.107905397309519	5.527243550682788	0.5806618466267315	Same Family
[Q13627, Q9Y463]	COc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)OC	Q13627	Q9Y463	7.013228265733755	6.872895201635193	0.14033306409856205	Same Family
[Q13627, Q9Y463]	Cc1c2cc(c(=O)[nH]c2nc(n1)OC)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c4ccccc4	Q13627	Q9Y463	7.2839966563652006	6.995678626217358	0.28831803014784274	Same Family
[Q13627, Q9Y463]	Cc1cc(ccc1O)C(=O)c2cc3cc(ccc3s2)O	Q13627	Q9Y463	4.958607314841775	5.154901959985743	0.19629464514396844	Same Family
[Q13627, Q9Y463]	Cc1ccc(cc1)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2	Q13627	Q9Y463	9.008773924307505	8.54821356447571	0.46056035983179555	Same Family
[Q13627, Q9Y463]	Cc1ccc(cc1NC(=O)c2cc3cc(c(cc3[nH]c2=O)OC)OC)C(=O)OC	Q13627	Q9Y463	6.494850021680094	6.251811972993799	0.24303804868629442	Same Family
[Q13627, Q9Y463]	Cc1ccc(cc1NC(=O)c2cc3cnc(nc3[nH]c2=O)OC)C(=O)OC	Q13627	Q9Y463	6.935542010773082	6.598599459218456	0.3369425515546256	Same Family
[Q13627, Q9Y463]	Cc1ccc(cc1O)C(=O)c2cc3cc(ccc3s2)O	Q13627	Q9Y463	6.698970004336019	6.698970004336019	0.0	Same Family
[Q13627, Q9Y463]	Cc1ncc2cc(c(=O)[nH]c2n1)C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c4ccccc4	Q13627	Q9Y463	7.431798275933005	7.7447274948966935	0.3129292189636885	Same Family
[Q13627, Q9Y463]	Cn1c2ccc(cc2cc1C(=O)c3cccc(c3)O)O	Q13627	Q9Y463	5.468521082957745	5.568636235841013	0.10011515288326844	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1C(=O)c2cc3cc(ccc3s2)O)O)F	Q13627	Q9Y463	5.920818753952375	6.3979400086720375	0.4771212547196626	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	Q9Y463	5.481490845788973	6.289036881004725	0.8075460352157515	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q13627	Q9Y463	7.190453334686628	7.42021640338319	0.2297630686965615	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q13627	Q9Y463	6.685448174911432	6.903089986991944	0.2176418120805117	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	Q13627	Q9Y463	6.278634723669314	6.2225731776106885	0.056061546058625567	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1F)Br)Nc2c3c(ccc4c3sc(n4)C(=O)N)ncn2	Q13627	Q9Y463	7.581698708680254	7.501689446210399	0.08000926246985518	Same Family
[Q13627, Q9Y463]	c1cc(c(cc1O)C(=O)c2cc3cc(ccc3s2)O)F	Q13627	Q9Y463	5.698970004336019	6.3979400086720375	0.6989700043360187	Same Family
[Q13627, Q9Y463]	c1cc(cc(c1)C(=O)c2cc3cc(ccc3s2)O)C#N	Q13627	Q9Y463	5.221848749616356	5.638272163982407	0.4164234143660508	Same Family
[Q13627, Q9Y463]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q13627	Q9Y463	7.5774509799928715	7.7447274948966935	0.167276514903822	Same Family
[Q13627, Q9Y463]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3o2)O	Q13627	Q9Y463	5.508638306165727	5.214670164989233	0.29396814117649406	Same Family
[Q13627, Q9Y463]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3s2)O	Q13627	Q9Y463	6.3979400086720375	6.698970004336019	0.30102999566398125	Same Family
[Q13627, Q9Y463]	c1cc(cc(c1)O)C(=O)c2ccc3cc(ccc3c2)O	Q13627	Q9Y463	5.5376020021010435	5.638272163982407	0.10067016188136346	Same Family
[Q13627, Q9Y463]	c1cc(ccc1C(=O)c2cc3cc(ccc3o2)O)O	Q13627	Q9Y463	5.013228265733755	5.886056647693163	0.8728283819594083	Same Family
[Q13627, Q9Y463]	c1cc(ccc1C(=O)c2cc3cc(ccc3s2)O)O	Q13627	Q9Y463	5.468521082957745	6.096910013008056	0.6283889300503116	Same Family
[Q13627, Q9Y463]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q13627	Q9Y463	4.961961032123368	5.052468254304407	0.09050722218103946	Same Family
[Q13627, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	Q13627	Q9Y463	7.301029995663981	6.958607314841775	0.3424226808222066	Same Family
[Q13627, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	Q13627	Q9Y463	7.552841968657781	7.142667503568732	0.41017446508904865	Same Family
[Q13627, Q9Y463]	c1cc(ccc1Nc2nccc(n2)c3ccc4c(c3)OCO4)Cl	Q13627	Q9Y463	6.423917004662222	6.053547734986927	0.3703692696752947	Same Family
[Q13627, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q13627	Q9Y463	6.322130608198982	6.747146969020107	0.4250163608211244	Same Family
[Q13627, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q13627	Q9Y463	5.76374025160565	6.081445469449727	0.31770521784407624	Same Family
[Q13627, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q13627	Q9Y463	7.77642098432889	7.920818753952375	0.1443977696234846	Same Family
[Q13627, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q13627	Q9Y463	7.019289452966776	7.031517051446065	0.012227598479289448	Same Family
[Q13627, Q9Y463]	c1cc(cnc1)c2cc(sc2)c3cncs3	Q13627	Q9Y463	7.0	7.154901959985743	0.15490195998574308	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)N3)scn2	Q13627	Q9Y463	6.154901959985743	6.045757490560675	0.10914446942506828	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)CCO2	Q13627	Q9Y463	7.0	6.522878745280337	0.4771212547196626	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)CCCO2	Q13627	Q9Y463	6.031517051446065	5.173925197299174	0.8575918541468912	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)CCO2	Q13627	Q9Y463	6.017728766960432	5.663540266151471	0.35418850080896114	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)OCCO2	Q13627	Q9Y463	6.055517327849832	5.367542707815276	0.6879746200345558	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)OCO2	Q13627	Q9Y463	6.221848749616356	5.580044251510242	0.6418044981061142	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)scn2	Q13627	Q9Y463	6.792513326014591	5.978810700930062	0.8137026250845292	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q13627	Q9Y463	7.556754637413759	7.7447274948966935	0.18797285748293469	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q13627	Q9Y463	6.627306439339995	6.863279432843593	0.2359729935035979	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q13627	Q9Y463	7.244058319510563	7.376750709602099	0.13269239009153644	Same Family
[Q13627, Q9Y463]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q13627	Q9Y463	6.06738877185491	5.93704216591549	0.13034660593941982	Same Family
[Q13627, Q9Y463]	c1cc2c3c(c4c(cccn4)nc3C(=O)O)[nH]c2c(c1)Br	Q13627	Q9Y463	6.886056647693163	5.886056647693163	1.0	Same Family
[Q13627, Q9Y463]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	Q13627	Q9Y463	6.920818753952375	5.853871964321762	1.066946789630613	Same Family
[Q13627, Q9Y463]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	Q13627	Q9Y463	6.7447274948966935	5.309803919971486	1.4349235749252074	Same Family
[Q13627, Q9Y463]	c1ccc(cc1)C(=O)c2cc3cc(ccc3s2)O	Q13627	Q9Y463	5.698970004336019	6.0	0.30102999566398125	Same Family
[Q13627, Q9Y463]	c1ccc(cc1)C(CCN)NC(=O)c2ccc(c(c2)NC(=O)c3cc4cnc(nc4[nH]c3=O)N5CC6CCC(C5)O6)Cl	Q13627	Q9Y463	8.301029995663981	8.096910013008056	0.20411998265592501	Same Family
[Q13627, Q9Y463]	c1ccc(cc1)C(CCN)NC(=O)c2ccc(c(c2)NC(=O)c3cc4cnc(nc4[nH]c3=O)N5CCC(CC5)N)Cl	Q13627	Q9Y463	8.045757490560675	7.585026652029182	0.460730838531493	Same Family
[Q13627, Q9Y463]	c1ccc(cc1)COC(=N)c2nc3ccc4c(c3s2)c(ncn4)Nc5ccc6c(c5)OCO6	Q13627	Q9Y463	7.469416140354882	7.4278256863869405	0.0415904539679417	Same Family
[Q13627, Q9Y463]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	Q13627	Q9Y463	7.386422255129397	7.235028299170665	0.15139395595873228	Same Family
[Q13627, Q9Y463]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Br)c(n2)C(=O)O	Q13627	Q9Y463	7.698970004336019	7.096910013008056	0.6020599913279625	Same Family
[Q13627, Q9Y463]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	Q13627	Q9Y463	7.508638306165727	6.6777807052660805	0.8308576008996464	Same Family
[O15530, P31751]	CC(=C1c2cc(ccc2NC1=O)NC(=O)N)c3cc(c[nH]3)CNC(=O)C	P31751	O15530	8.096910013008056	6.0	2.0969100130080562	Different Family
[O15530, P31751]	CC(=C1c2cc(ccc2NC1=O)NC(=O)N)c3cc(c[nH]3)CNC(=O)CCN4CCCCC4	P31751	O15530	8.522878745280337	6.0	2.5228787452803374	Different Family
[O15530, P31751]	CC(=C1c2cc(ccc2NC1=O)NC(=O)N)c3cc(c[nH]3)CNC(=O)CO	P31751	O15530	8.0	6.0	2.0	Different Family
[O15530, P31751]	CC(=C1c2cc(ccc2NC1=O)NC(=O)N)c3cc(c[nH]3)CNC(=O)c4cccnc4	P31751	O15530	8.0	6.0	2.0	Different Family
[O15530, P31751]	CC(=O)Nc1cccc(c1)c2cc([nH]c2)C=C3c4cc(ccc4NC3=O)NC(=O)N	P31751	O15530	8.096910013008056	6.0	2.0969100130080562	Different Family
[O15530, P31751]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P31751	O15530	8.009574717087297	8.2839966563652	0.2744219392779037	Different Family
[O15530, P31751]	CN(C)CCNC(=O)c1cccc(c1)c2cc([nH]c2)C=C3c4cc(ccc4NC3=O)NC(=O)N	P31751	O15530	8.397940008672037	7.0	1.3979400086720375	Different Family
[O15530, P31751]	COc1cccc(c1)c2cc([nH]c2)C=C3c4cc(ccc4NC3=O)NC(=O)N	P31751	O15530	7.721246399047171	8.0	0.27875360095282886	Different Family
[O15530, P31751]	c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)C=C4c5cc(ccc5NC4=O)NC(=O)N	P31751	O15530	8.397940008672037	6.0	2.3979400086720375	Different Family
[O15530, P31751]	c1cc(cc(c1)O)c2cc([nH]c2)C=C3c4cc(ccc4NC3=O)NC(=O)N	P31751	O15530	8.221848749616356	7.698970004336019	0.5228787452803374	Different Family
[O15530, P31751]	c1cc(cnc1)c2cc([nH]c2)C=C3c4cc(ccc4NC3=O)NC(=O)N	P31751	O15530	8.096910013008056	7.0	1.0969100130080562	Different Family
[O15530, P31751]	c1cc2c(cc1NC(=O)N)C(=Cc3cc(c[nH]3)C(=O)NCCN4CCCCC4)C(=O)N2	P31751	O15530	7.958607314841775	6.0	1.9586073148417746	Different Family
[P31751, P49841]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P31751	P49841	7.886056647693163	6.860120913598763	1.0259357340944	Different Group
[P31751, P49841]	Cc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.200659450546419	6.552841968657781	0.6478174818886382	Different Group
[P31751, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5Cl)N	P31751	P49841	7.920818753952375	6.522878745280337	1.3979400086720375	Different Group
[P31751, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.721246399047171	6.251811972993799	1.4694344260533718	Different Group
[P31751, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5ccccc5)N	P31751	P49841	6.886056647693163	6.552841968657781	0.3332146790353825	Different Group
[P31751, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(cnc3c4ccoc4C)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.6020599913279625	6.6777807052660805	0.924279286061882	Different Group
[P31751, P49841]	Cc1c2cc(ccc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.823908740944319	6.657577319177793	1.1663314217665253	Different Group
[P31751, P49841]	Cc1c2cc(cnc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.823908740944319	6.327902142064283	1.4960065988800357	Different Group
[P31751, P49841]	Cc1c2cc(ncc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P49841	7.886056647693163	6.167491087293763	1.7185655603993997	Different Group
[P31751, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P31751	P49841	4.180456064458132	3.8601209135987635	0.32033515085936815	Different Group
[P31751, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P31751	P49841	5.022276394711152	4.259637310505756	0.7626390842053965	Different Group
[O75116, P31751]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	5.066613958096946	5.969805214643249	0.903191256546303	Different Family
[O75116, P31751]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	6.46344155742847	6.8696662315049934	0.4062246740765234	Different Family
[O75116, P31751]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	6.094204119632131	5.941573975542995	0.15263014408913644	Different Family
[O75116, P31751]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	6.149353764816934	6.87942606879415	0.7300723039772166	Different Family
[O75116, P31751]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	4.782568700732143	5.501827339363456	0.7192586386313131	Different Family
[O75116, P31751]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	5.090925598599096	5.88706002391592	0.7961344253168239	Different Family
[O75116, P31751]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	7.638272163982407	6.8996294548824375	0.7386427090999694	Different Family
[O75116, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	P31751	O75116	5.6307841425898575	8.18837535480105	2.557591212211192	Different Family
[O75116, P31751]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	7.853871964321762	7.488579694561736	0.36529226976002604	Different Family
[O75116, P31751]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	7.823908740944319	7.1487416512809245	0.6751670896633941	Different Family
[O75116, P31751]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	6.886056647693163	6.690369832574102	0.19568681511906139	Different Family
[O75116, P31751]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	O75116	7.443697499232713	6.815308569182402	0.6283889300503116	Different Family
[O75116, P31751]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	O75116	6.798602875679548	6.454692883534176	0.3439099921453721	Different Family
[O75116, P31751]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.522878745280337	6.583359492661719	0.9395192526186182	Different Family
[O75116, P31751]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.017728766960432	6.982966660701219	0.03476210625921272	Different Family
[O75116, P31751]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.522878745280337	6.950781977329818	0.5720967679505193	Different Family
[O75116, P31751]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.376750709602099	6.872895201635193	0.5038555079669065	Different Family
[O75116, P31751]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	O75116	7.619788758288394	7.119186407719209	0.500602350569185	Different Family
[O75116, P31751]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.508638306165727	7.4089353929735005	0.09970291319222646	Different Family
[O75116, P31751]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	O75116	7.886056647693163	7.468521082957745	0.4175355647354184	Different Family
[O75116, P31751]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	O75116	7.877243666092925	7.101296975161809	0.7759466909311161	Different Family
[O75116, P31751]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	O75116	7.337242168318426	7.050609993355087	0.2866321749633389	Different Family
[O75116, P31751]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	O75116	7.180456064458132	7.012560013496535	0.16789605096159654	Different Family
[O75116, P31751]	c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br	P31751	O75116	6.229147988357856	5.44000006551306	0.789147922844796	Different Family
[O75116, P31751]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	O75116	6.6777807052660805	6.239577516576788	0.4382031886892923	Different Family
[O75116, P31751]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	O75116	6.721246399047171	6.23210238398191	0.4891440150652615	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC4CCNCC4	P31751	Q13464	8.096910013008056	6.0	2.0969100130080562	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P31751	Q13464	7.886056647693163	5.925976453200333	1.9600801944928303	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCNC4	P31751	Q13464	7.886056647693163	6.102372908709558	1.7836837389836049	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCNCC4	P31751	Q13464	8.096910013008056	5.600326278518962	2.4965837344890947	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCC(Cc4ccccc4)N	P31751	Q13464	8.397940008672037	5.8996294548824375	2.4983105537896	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCCN	P31751	Q13464	8.045757490560675	6.301029995663981	1.7447274948966935	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCC(CO)O	P31751	Q13464	8.301029995663981	6.6020599913279625	1.6989700043360187	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCCc4ccc(cc4)OC	P31751	Q13464	8.221848749616356	5.400116927926312	2.8217318216900438	Different Family
[P31751, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCN	P31751	Q13464	7.698970004336019	6.301029995663981	1.3979400086720375	Different Family
[P31751, Q13464]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	P31751	Q13464	6.0	8.096910013008056	2.0969100130080562	Different Family
[P31751, Q13464]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	P31751	Q13464	6.690369832574102	8.522878745280337	1.8325089127062357	Different Family
[P31751, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	P31751	Q13464	5.6307841425898575	8.13557131099318	2.5047871684033227	Different Family
[P31751, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	P31751	Q13464	5.600326278518962	7.698970004336019	2.098643725817057	Different Family
[P31751, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	P31751	Q13464	5.0	7.3979400086720375	2.3979400086720375	Different Family
[P31751, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	P31751	Q13464	5.400116927926312	8.301029995663981	2.900913067737669	Different Family
[P31751, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	P31751	Q13464	6.130181792020672	7.0	0.8698182079793284	Different Family
[P31751, Q13464]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q13464	7.877243666092925	6.327902142064283	1.549341524028642	Different Family
[P28482, P31751]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P31751	P28482	8.301029995663981	4.565431095965801	3.7355988996981804	Different Group
[P28482, P31751]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P31751	P28482	5.721246399047171	4.568636235841013	1.152610163206158	Different Group
[P28482, P31751]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P31751	P28482	4.180456064458132	4.327902142064283	0.14744607760615125	Different Group
[P28482, P31751]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P31751	P28482	5.022276394711152	4.42021640338319	0.6020599913279625	Different Group
[P28482, P31751]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P31751	P28482	6.142667503568732	4.886056647693163	1.2566108558755689	Different Group
[P28482, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P31751	P28482	8.301029995663981	4.431798275933005	3.8692317197309762	Different Group
[P28482, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N	P31751	P28482	6.590066876668706	4.891096872332686	1.6989700043360196	Different Group
[P28482, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P31751	P28482	7.6777807052660805	5.920818753952375	1.7569619513137056	Different Group
[P28482, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P31751	P28482	8.167491087293763	6.040958607678906	2.1265324796148573	Different Group
[P28482, P31751]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P31751	P28482	7.698970004336019	5.3979400086720375	2.3010299956639813	Different Group
[P28482, P31751]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P31751	P28482	5.481486060122113	4.698970004336019	0.7825160557860942	Different Group
[P31749, P31751]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P31751	P31749	8.301029995663981	9.096910013008056	0.795880017344075	Same Family
[P31749, P31751]	C#Cc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.153044674980176	5.780415473785745	0.37262920119443077	Same Family
[P31749, P31751]	C=Cc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.374687549038327	6.522878745280337	0.14819119624201083	Same Family
[P31749, P31751]	C=Cc1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.79805693659835	6.7447274948966935	0.9466705582983437	Same Family
[P31749, P31751]	C=Cc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.20690839982342	5.709742730605482	0.4971656692179378	Same Family
[P31749, P31751]	C=Cc1cnc2n1nc(c(c2)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.486782399932061	7.356547323513813	0.8697649235817524	Same Family
[P31749, P31751]	CC(=C1c2cc(ccc2NC1=O)NC(=O)N)c3ccc[nH]3	P31751	P31749	8.301029995663981	7.0	1.3010299956639813	Same Family
[P31749, P31751]	CC(=N)n1c(=N)ccc2c1cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	7.301029995663981	8.086186147616283	0.785156151952302	Same Family
[P31749, P31751]	CC(=O)Nc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.036212172654444	7.2076083105017466	0.17139613784730212	Same Family
[P31749, P31751]	CC(=O)Nc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.022276394711152	6.2564902352715706	0.7657861594395818	Same Family
[P31749, P31751]	CC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.161150909262744	7.259637310505756	0.09848640124301156	Same Family
[P31749, P31751]	CC(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.259637310505756	6.756961951313706	0.5026753591920503	Same Family
[P31749, P31751]	CC(C)(c1ccc(cc1)c2c(nc3ccccc3n2)c4ccccc4)N	P31751	P31749	4.638272163982407	5.468521082957745	0.8302489189753377	Same Family
[P31749, P31751]	CC(C)Cc1c(nc(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6nc5O)O	P31751	P31749	6.488116639021126	4.673664139071248	1.8144524999498772	Same Family
[P31749, P31751]	CC(C)NC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.554395796726403	5.767512133647013	0.7868836630793892	Same Family
[P31749, P31751]	CC(C)Nc1c(c(nc2n1ccn2)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	7.275724130399211	7.6020599913279625	0.32633586092875166	Same Family
[P31749, P31751]	CC(C)Nc1c(c(nc2n1nc(n2)c3ccccn3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)c8ccccc8	P31751	P31749	7.055517327849832	7.619788758288394	0.5642714304385619	Same Family
[P31749, P31751]	CC(C)Nc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	7.958607314841775	7.657577319177793	0.30102999566398125	Same Family
[P31749, P31751]	CC(C)Oc1ccn2c(c(nc2n1)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.856985199745905	5.911863911299449	0.9451212884464564	Same Family
[P31749, P31751]	CC(C)c1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	7.455931955649724	7.075720713938118	0.38021124171160636	Same Family
[P31749, P31751]	CC(C)c1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6cnc7ccccc7n6	P31751	P31749	6.293282217663241	5.173925197299174	1.1193570203640668	Same Family
[P31749, P31751]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	5.066613958096946	5.923723744595782	0.8571097864988362	Same Family
[P31749, P31751]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	6.46344155742847	8.045757490560675	1.5823159331322048	Same Family
[P31749, P31751]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	6.094204119632131	6.73754891026957	0.643344790637439	Same Family
[P31749, P31751]	CC(c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)O	P31751	P31749	6.114073660198569	6.767003889607846	0.6529302294092769	Same Family
[P31749, P31751]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	6.149353764816934	6.826813731587726	0.6774599667707921	Same Family
[P31749, P31751]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	4.782568700732143	5.56019378860667	0.7776250878745268	Same Family
[P31749, P31751]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	5.090925598599096	5.881735273910521	0.7908096753114249	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(cc4c(n3)ccc5n4c(nn5)C(F)F)c6ccccc6)N)O	P31751	P31749	8.769551078621726	9.42021640338319	0.650665324761464	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(ccc(n5)OC)OC4)c6ccccc6)N)O	P31751	P31749	8.958607314841775	8.259637310505756	0.6989700043360187	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(cccc5F)OC4)c6ccccc6)N)O	P31751	P31749	9.301029995663981	8.337242168318426	0.9637878273455556	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(cccc5F)OC4)c6ccncc6)N)O	P31751	P31749	8.958607314841775	7.6020599913279625	1.3565473235138121	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(cccc5F)OC4)c6ccsc6)N)O	P31751	P31749	9.040958607678906	8.008773924307505	1.0321846833714012	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(cccn5)OC4)c6ccccc6)N)O	P31751	P31749	8.698970004336019	7.958607314841775	0.7403626894942441	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(nccn5)OC4)c6ccccc6)N)O	P31751	P31749	8.397940008672037	8.193820026016112	0.20411998265592501	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C#N)c6ccccc6)N)O	P31751	P31749	9.013228265733755	8.356547323513812	0.6566809422199427	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C(=O)N(C)C)c6ccccc6)N)O	P31751	P31749	8.886056647693163	8.356547323513812	0.5295093241793509	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C(=O)N)c6ccccc6)N)O	P31751	P31749	9.585026652029182	8.795880017344075	0.7891466346851068	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C(=O)NC)c6ccccc6)N)O	P31751	P31749	9.55284196865778	8.823908740944319	0.7289332277134619	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C(=O)NCCO)c6ccccc6)N)O	P31751	P31749	9.244125144327509	8.619788758288394	0.6243363860391149	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)C(=O)O)c6ccccc6)O)O	P31751	P31749	9.040958607678906	8.301029995663981	0.7399286120149249	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)CO)c6ccccc6)N)O	P31751	P31749	9.259637310505756	8.657577319177793	0.6020599913279625	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)F)c6ccccc6)N)O	P31751	P31749	9.0	8.193820026016112	0.8061799739838875	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)OC)c6ccccc6)N)O	P31751	P31749	9.1249387366083	8.537602002101044	0.5873367345072555	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)c6c[nH]nc6)c7ccccc7)N)O	P31751	P31749	9.3767507096021	8.886056647693163	0.49069406190893616	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cc(ccc5OC4)c6ccn[nH]6)c7ccccc7)N)O	P31751	P31749	9.494850021680094	9.096910013008056	0.3979400086720375	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C#N)c6ccccc6)N)O	P31751	P31749	8.920818753952375	8.207608310501746	0.7132104434506292	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C(=O)N(C)C)c6ccccc6)N)O	P31751	P31749	8.455931955649724	7.823908740944319	0.6320232147054057	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C(=O)N)c6ccccc6)N)O	P31751	P31749	9.397940008672037	8.886056647693163	0.5118833609788744	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C(=O)NC)c6ccccc6)N)O	P31751	P31749	9.309803919971486	8.744727494896694	0.5650764250747926	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C(=O)NCCO)c6ccccc6)N)O	P31751	P31749	9.154901959985743	8.508638306165727	0.6462636538200162	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)C(=O)O)c6ccccc6)O)O	P31751	P31749	9.0268721464003	8.508638306165727	0.5182338402345739	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)CO)c6ccccc6)N)O	P31751	P31749	8.568636235841012	8.065501548756432	0.5031346870845805	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)F)c6ccccc6)N)O	P31751	P31749	8.698970004336019	8.070581074285707	0.6283889300503116	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccc(cc5OC4)OC)c6ccccc6)N)O	P31751	P31749	9.040958607678906	8.221848749616356	0.81910985806255	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccccc5OC4)c6ccccc6)N)O	P31751	P31749	8.769551078621726	8.275724130399212	0.49382694822251416	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cccnc5OC4)c6ccccc6)N)O	P31751	P31749	9.013228265733755	8.853871964321762	0.15935630141199297	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5ccncc5OC4)c6ccccc6)N)O	P31751	P31749	9.130768280269024	8.698970004336019	0.431798275933005	Same Family
[P31749, P31751]	CC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cnccc5OC4)c6ccccc6)N)O	P31751	P31749	8.958607314841775	8.18045606445813	0.7781512503836439	Same Family
[P31749, P31751]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN(C)C(C)C)c4ccc(cc4)Cl)O	P31751	P31749	7.508638306165727	7.300856347321299	0.20778195884442763	Same Family
[P31749, P31751]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)c4ccc(c(c4)F)C(F)(F)F)O	P31751	P31749	8.221848749616356	7.774875445840319	0.44697330377603706	Same Family
[P31749, P31751]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)(F)F	P31751	P31749	5.379135524734879	5.500160487673064	0.12102496293818454	Same Family
[P31749, P31751]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC(F)(F)F)c4ccc(cc4)Cl)O	P31751	P31749	5.697885623043799	6.044793462458058	0.34690783941425885	Same Family
[P31749, P31751]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	7.638272163982407	8.154901959985743	0.5166297960033361	Same Family
[P31749, P31751]	CCC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(cccn5)OC4)c6ccccc6)N)O	P31751	P31749	8.337242168318426	7.481486060122113	0.8557561081963128	Same Family
[P31749, P31751]	CCC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5c(nccn5)OC4)c6ccccc6)N)O	P31751	P31749	8.154901959985743	8.096910013008056	0.05799194697768684	Same Family
[P31749, P31751]	CCC1(CC(C1)(c2ccc(cc2)c3c(n4c(n3)-c5cnccc5OC4)c6ccccc6)N)O	P31751	P31749	8.8928430512878	8.148784731777237	0.7440583195105628	Same Family
[P31749, P31751]	CCCOc1ccn2c(c(nc2n1)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.8297382846050425	6.638272163982407	0.19146612062263557	Same Family
[P31749, P31751]	CCNC(=O)NC1CCN(CC1)Cc2ccc(cc2)c3c(cc4cnc(nc4n3)SC)c5ccccc5	P31751	P31749	5.276052023568356	6.0996328713435295	0.8235808477751734	Same Family
[P31749, P31751]	CCNC(=O)c1ccc2c(c1)-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C)O)N	P31751	P31749	9.508638306165727	8.744727494896694	0.7639108112690334	Same Family
[P31749, P31751]	CCNC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.812479279163537	6.424812155072339	0.3876671240911982	Same Family
[P31749, P31751]	CCNC(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.337242168318426	6.221125527997261	1.1161166403211649	Same Family
[P31749, P31751]	CCNc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5ccccc5)N	P31751	P31749	5.200659450546418	6.301029995663981	1.1003705451175634	Same Family
[P31749, P31751]	CCOC(=O)c1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)Br	P31751	P31749	6.991399828238082	7.769551078621726	0.7781512503836439	Same Family
[P31749, P31751]	CCOC(=O)c1cc(cnc1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.958607314841775	8.154901959985743	1.1962946451439684	Same Family
[P31749, P31751]	CCOC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.847711655616943	7.031517051446065	0.18380539582912192	Same Family
[P31749, P31751]	CCOC(=O)c1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.632644078973981	7.2076083105017466	0.5749642315277654	Same Family
[P31749, P31751]	CCOC(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.657577319177793	7.0655015487564325	0.5920757704213608	Same Family
[P31749, P31751]	CCONC(=O)c1ccc-2c(c1)OCn3c2nc(c3c4ccccc4)c5ccc(cc5)C6(CC(C6)(C)O)N	P31751	P31749	9.275724130399212	8.67778070526608	0.5979434251331313	Same Family
[P31749, P31751]	CCONC(=O)c1ccc2c(c1)-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C)O)N	P31751	P31749	9.397940008672037	8.744727494896694	0.653212513775344	Same Family
[P31749, P31751]	CCOc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.154901959985743	6.690369832574102	0.4645321274116414	Same Family
[P31749, P31751]	CCOc1cccc2c1-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C)O)N	P31751	P31749	8.744727494896694	7.522878745280337	1.2218487496163561	Same Family
[P31749, P31751]	CCOc1cccc2c1-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.769551078621726	7.552841968657781	1.2167091099639453	Same Family
[P31749, P31751]	CCOc1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.97469413473523	6.886056647693163	0.08863748704206653	Same Family
[P31749, P31751]	CCOc1cnc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.484126156288321	6.632644078973981	0.14851792268566033	Same Family
[P31749, P31751]	CCc1c(nc2n1nc(c(c2)c3ccccc3)c4ccc(cc4)C5(CCC5)N)C	P31751	P31749	4.698970004336019	4.698970004336019	0.0	Same Family
[P31749, P31751]	CCc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)OC	P31751	P31749	7.301029995663981	6.8297382846050425	0.47129171105893874	Same Family
[P31749, P31751]	CCc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.716698771296451	6.585026652029182	0.13167211926726896	Same Family
[P31749, P31751]	CCc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.275724130399211	5.780677491580663	1.4950466388185477	Same Family
[P31749, P31751]	CCc1cnc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.79317412396815	6.421360790031928	0.3718133339362222	Same Family
[P31749, P31751]	CCc1cnn2c1nc(c(c2)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7cccc(n7)C	P31751	P31749	7.721246399047171	8.301029995663981	0.5797835966168101	Same Family
[P31749, P31751]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCC(CO)O	P31751	P31749	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[P31749, P31751]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	P31751	P31749	6.0	7.102372908709558	1.1023729087095582	Same Family
[P31749, P31751]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	P31751	P31749	6.690369832574102	7.251811972993799	0.5614421404196976	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	P31751	P31749	5.6307841425898575	6.480172006224281	0.8493878636344236	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	P31751	P31749	5.600326278518962	6.300162274132754	0.6998359956137925	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	P31751	P31749	5.0	6.199970640755866	1.1999706407558657	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCNCC4	P31751	P31749	5.590066876668706	6.250263684430939	0.6601968077622331	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	P31751	P31749	5.400116927926312	6.8996294548824375	1.4995125269561251	Same Family
[P31749, P31751]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	P31751	P31749	6.130181792020672	6.698970004336019	0.5687882123153472	Same Family
[P31749, P31751]	CN(C(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)OC	P31751	P31749	6.515700160653214	5.668572703479257	0.8471274571739569	Same Family
[P31749, P31751]	CN(C)C(=O)COc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.013228265733755	6.58838029403677	0.42484797169698485	Same Family
[P31749, P31751]	CN(C)C(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.828858848971618	5.720333055951545	0.10852579302007292	Same Family
[P31749, P31751]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	7.853871964321762	8.610924374808178	0.7570524104864162	Same Family
[P31749, P31751]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	7.823908740944319	8.522878745280337	0.6989700043360187	Same Family
[P31749, P31751]	CN(C)c1c(cc(c(n1)c2ccc(cc2)CN3CCC(CC3)n4c5ccccc5[nH]c4=O)c6ccccc6)C#N	P31751	P31749	4.812761380168522	5.072783669408735	0.2600222892402133	Same Family
[P31749, P31751]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P31751	P31749	5.721246399047171	5.585026652029182	0.13621974701798933	Same Family
[P31749, P31751]	CN1CCN(CC1)Cc2nnc3n2ccc4c3cc(c(n4)c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8)c9ccccc9	P31751	P31749	7.258848401148215	8.00436480540245	0.7455164042542348	Same Family
[P31749, P31751]	CNC(=O)Nc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.511449283499556	6.485452247339714	0.0259970361598425	Same Family
[P31749, P31751]	CNC(=O)Nc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.835647144215563	6.230622673923862	0.6050244702917009	Same Family
[P31749, P31751]	CNC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.935542010773082	6.841637507904751	0.09390450286833119	Same Family
[P31749, P31751]	CNC(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.275724130399211	6.388276691992658	0.8874474384065527	Same Family
[P31749, P31751]	CNc1c(c(nc2n1c(cn2)Br)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	6.892790030352131	7.376750709602099	0.483960679249968	Same Family
[P31749, P31751]	CNc1c(c(nc2n1ccn2)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	6.3223930472795065	7.522878745280337	1.200485698000831	Same Family
[P31749, P31751]	CNc1c(c(nc2n1nc(n2)c3ccccn3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)c8ccccc8	P31751	P31749	6.838631997765025	7.5376020021010435	0.6989700043360187	Same Family
[P31749, P31751]	CNc1c(cc(c(n1)c2ccc(cc2)CN3CCC(CC3)n4c5ccccc5[nH]c4=O)c6ccccc6)C#N	P31751	P31749	5.089322245257295	5.648010544564368	0.5586882993070734	Same Family
[P31749, P31751]	CNc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5[nH]c(nn5)c6ccccn6)c7ccccc7	P31751	P31749	6.046240308266771	7.692503962086787	1.6462636538200162	Same Family
[P31749, P31751]	CNc1nccc(n1)c2ccc(s2)C(=O)NC(Cc3ccc(cc3Cl)Cl)CN	P31751	P31749	7.638272163982407	8.221848749616356	0.5835765856339492	Same Family
[P31749, P31751]	COC(=O)C=Cc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.692503962086787	6.707743928643524	0.015239966556736206	Same Family
[P31749, P31751]	COC(=O)C=Cc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.2839966563652006	6.462180904926726	0.821815751438475	Same Family
[P31749, P31751]	COC(=O)CCc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.1249387366083	5.4639468448407955	1.6609918917675044	Same Family
[P31749, P31751]	COC(=O)COc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.313363730737707	6.747146969020107	0.43378323828240006	Same Family
[P31749, P31751]	COC(=O)COc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.086186147616283	6.801342913045577	0.28484323457070637	Same Family
[P31749, P31751]	COC(=O)c1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)Cl	P31751	P31749	6.935542010773082	7.508638306165727	0.5730962953926451	Same Family
[P31749, P31751]	COC(=O)c1ccc(cn1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.939302159646388	7.721246399047171	0.781944239400783	Same Family
[P31749, P31751]	COC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.703334809738469	7.214670164989233	0.5113353552507638	Same Family
[P31749, P31751]	COC(=O)c1cccc(c1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.236572006437063	8.397940008672037	1.1613680022349744	Same Family
[P31749, P31751]	COC(=O)c1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.690369832574102	7.327902142064283	0.6375323094901812	Same Family
[P31749, P31751]	COC(=O)c1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.1938200260161125	6.645891560852599	0.5479284651635137	Same Family
[P31749, P31751]	COC(=O)c1cn2cc(c(nc2n1)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	7.769551078621726	8.0	0.2304489213782741	Same Family
[P31749, P31751]	COC(=O)c1cnn2c1nc(c(c2)c3c(cccc3F)F)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.118615343229427	7.853871964321762	1.7352566210923346	Same Family
[P31749, P31751]	COC(=O)c1cnn2c1nc(c(c2)c3c(cccc3F)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.692503962086787	8.301029995663981	1.6085260335771938	Same Family
[P31749, P31751]	COC(=O)c1cnn2c1nc(c(c2)c3ccc(cc3F)F)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.669586226650809	8.154901959985743	1.485315733334934	Same Family
[P31749, P31751]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	6.886056647693163	8.0	1.113943352306837	Same Family
[P31749, P31751]	COCCNC(=O)c1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.288192770958809	6.3448615651886175	0.056668794229808306	Same Family
[P31749, P31751]	COCCNCc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.708187312532881	5.248489949729959	0.45969736280292217	Same Family
[P31749, P31751]	COCCOc1ccn2c(c(nc2n1)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.380906669373258	5.925915310971757	0.45499135840150107	Same Family
[P31749, P31751]	COCc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.377785977033705	6.140861702705469	0.23692427432823582	Same Family
[P31749, P31751]	COc1c(c2nc(c(cn2n1)c3c(cccc3F)F)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)CO	P31751	P31749	6.928117992693875	7.853871964321762	0.9257539716278869	Same Family
[P31749, P31751]	COc1c(c2nc(c(cn2n1)c3c(cccc3F)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7)CO	P31751	P31749	7.013228265733755	8.0	0.9867717342662452	Same Family
[P31749, P31751]	COc1c(cc(c(n1)c2ccc(cc2)CN3CCC(CC3)n4c5ccccc5[nH]c4=O)c6ccccc6)C#N	P31751	P31749	4.423428315934709	5.255863547598753	0.8324352316640438	Same Family
[P31749, P31751]	COc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)OC	P31751	P31749	7.1938200260161125	7.638272163982407	0.44445213796629446	Same Family
[P31749, P31751]	COc1cc(ccn1)COc2ccn3c(c(nc3n2)c4ccc(cc4)C5(CCC5)N)c6ccccc6	P31751	P31749	6.782516055786093	6.747146969020107	0.0353690867659866	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)Br	P31751	P31749	7.769551078621726	7.721246399047171	0.048304679574554754	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)C(=O)N	P31751	P31749	8.045757490560675	7.619788758288394	0.42596873227228116	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)C(=O)OC	P31751	P31749	7.42021640338319	7.275724130399211	0.14449227298397904	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)C=C	P31751	P31749	7.119186407719209	6.718966632752273	0.40021977496693584	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)Cl	P31751	P31749	7.292429823902063	7.619788758288394	0.32735893438633035	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6[nH]ccn6	P31751	P31749	7.292429823902063	6.703334809738469	0.5890950141635942	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6c[nH]nc6	P31751	P31749	7.522878745280337	7.0915149811213505	0.4313637641589869	Same Family
[P31749, P31751]	COc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6cnc[nH]6	P31751	P31749	7.309803919971486	6.856985199745905	0.4528187202255811	Same Family
[P31749, P31751]	COc1cc(cnc1)c2cccn3c2nc(c3c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.573488738635425	6.97469413473523	0.40120539609980455	Same Family
[P31749, P31751]	COc1cc(cnc1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.337242168318426	8.301029995663981	0.9637878273455556	Same Family
[P31749, P31751]	COc1cc2c(c(c1)OC)-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.568636235841012	7.920818753952375	1.6478174818886373	Same Family
[P31749, P31751]	COc1ccc(cn1)COc2ccn3c(c(nc3n2)c4ccc(cc4)C5(CCC5)N)c6ccccc6	P31751	P31749	7.42021640338319	6.655607726314889	0.7646086770683009	Same Family
[P31749, P31751]	COc1ccc-2c(c1)OCn3c2nc(c3c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.221848749616356	8.431798275933005	0.7900504736833511	Same Family
[P31749, P31751]	COc1ccc2c(c1)-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.292429823902063	8.744727494896694	0.45229767099463025	Same Family
[P31749, P31751]	COc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.787812395596042	7.443697499232713	0.6558851036366713	Same Family
[P31749, P31751]	COc1cccc2c1-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.077450979992872	8.057319389984244	1.0201315900086279	Same Family
[P31749, P31751]	COc1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.906578314837765	6.761953896871205	0.14462441796656034	Same Family
[P31749, P31751]	COc1ccn2c(c(nc2c1C#N)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.966576244513051	6.607303046740334	0.3592731977727164	Same Family
[P31749, P31751]	COc1ccn2c(c(nc2n1)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.920818753952375	6.847711655616943	0.07310709833543161	Same Family
[P31749, P31751]	COc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.327902142064283	7.017728766960432	0.3101733751038509	Same Family
[P31749, P31751]	COc1cnc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.536107011014093	6.962573502059376	0.4264664910452831	Same Family
[P31749, P31751]	COc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5[nH]c(nn5)c6ccccn6)c7ccccc7	P31751	P31749	5.63921731012672	7.370590400897281	1.7313730907705605	Same Family
[P31749, P31751]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	P31749	7.443697499232713	8.154901959985743	0.7112044607530299	Same Family
[P31749, P31751]	CS(=O)(=O)Nc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.504455662453552	5.5246194068566385	0.9798362555969131	Same Family
[P31749, P31751]	CS(=O)(=O)c1ccc(cc1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.555955204081924	6.958607314841775	0.40265211075985086	Same Family
[P31749, P31751]	CS(=O)(=O)c1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.991399828238082	7.267606240177032	0.2762064119389498	Same Family
[P31749, P31751]	CSc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	7.0	8.301029995663981	1.3010299956639813	Same Family
[P31749, P31751]	CSc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7	P31751	P31749	7.920818753952375	8.154901959985743	0.23408320603336819	Same Family
[P31749, P31751]	CSc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7cnccn7	P31751	P31749	7.096910013008056	7.585026652029182	0.48811663902112556	Same Family
[P31749, P31751]	CSc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ncccn7	P31751	P31749	6.653647025549361	7.113509274827518	0.45986224927815655	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)C(=O)N)c5ccccc5	P31751	P31749	5.03343591590269	6.251811972993799	1.2183760570911097	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)C(=O)Nc5ccncc5)c6ccccc6	P31751	P31749	5.946537395074545	6.876148359032914	0.9296109639583694	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5[nH]c(nn5)c6ccccn6)c7ccccc7	P31751	P31749	6.229884705212898	8.031517051446064	1.8016323462331663	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5cc([nH]n5)c6ccncc6)c7ccccc7	P31751	P31749	6.197226274708024	7.070581074285707	0.8733547995776831	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5nnc(s5)N)c6ccccc6	P31751	P31749	5.803547458296611	7.102372908709558	1.2988254504129468	Same Family
[P31749, P31751]	CSc1ncc2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)n5c6c(cn5)c(ncn6)N)c7ccccc7	P31751	P31749	6.08196966321512	7.221848749616356	1.139879086401236	Same Family
[P31749, P31751]	Cc1c(=O)[nH]c(c(n1)c2ccc(cc2)CN3CCC(CC3)n4c5ccccc5[nH]c4=O)c6ccccc6	P31751	P31749	4.619788758288394	6.119186407719209	1.499397649430815	Same Family
[P31749, P31751]	Cc1c(=O)[nH]c(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O	P31751	P31749	5.928486194904911	5.998699066979582	0.07021287207467086	Same Family
[P31749, P31751]	Cc1c(c(nc2n1nc(n2)C)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	7.769551078621726	8.154901959985743	0.3853508813640172	Same Family
[P31749, P31751]	Cc1c(c2nc(c(n2cc1C(=O)N)c3ccccc3)c4ccc(cc4)C5(CCC5)N)C	P31751	P31749	7.040958607678906	6.696803942579511	0.34415466509939474	Same Family
[P31749, P31751]	Cc1c(c2nc(c(n2cc1c3ccn[nH]3)c4ccccc4)c5ccc(cc5)C6(CCC6)N)C	P31751	P31749	7.259637310505756	6.481486060122113	0.778151250383643	Same Family
[P31749, P31751]	Cc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.200659450546419	8.522878745280337	1.3222192947339186	Same Family
[P31749, P31751]	Cc1c(cn2c(c(nc2c1Br)c3ccc(cc3)C4(CCC4)N)c5ccccc5)Cl	P31751	P31749	7.823908740944319	7.7447274948966935	0.07918124604762511	Same Family
[P31749, P31751]	Cc1c(cn2c(c(nc2c1c3ccc(cc3)F)c4ccc(cc4)C5(CCC5)N)c6ccccc6)Cl	P31751	P31749	6.287350298372789	5.863913902615902	0.4234363957568865	Same Family
[P31749, P31751]	Cc1c(cn2c(c(nc2c1c3ccn[nH]3)c4ccc(cc4)C5(CCC5)N)c6ccccc6)Cl	P31751	P31749	6.406713932979542	6.728158393463501	0.321444460483959	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)C=C	P31751	P31749	4.777569685339509	5.048808242065294	0.2712385567257849	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)C=CC(=O)N	P31751	P31749	4.698970004336019	4.743980186619878	0.04501018228385956	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)C=CC(=O)OC	P31751	P31749	4.99481948749622	5.224316750973956	0.2294972634777359	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)c6ccc(c(c6)CO)F	P31751	P31749	4.776633873560139	4.995034112893176	0.21840023933303687	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)c6ccc(cc6)C(=O)N	P31751	P31749	5.316682738078117	4.917825224515334	0.398857513562783	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)c6ccc(cc6)F	P31751	P31749	5.2918341421444595	5.353792387793315	0.06195824564885566	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)c6cccc(c6)C(=O)N	P31751	P31749	4.775622347838193	4.822809919510391	0.04718757167219767	Same Family
[P31749, P31751]	Cc1c(n2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5)c6ccn[nH]6	P31751	P31749	5.281664421091493	5.563519304990505	0.2818548838990118	Same Family
[P31749, P31751]	Cc1c(n2cc(c(nc2n1)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7)Br	P31751	P31749	8.397940008672037	8.397940008672037	0.0	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4)C#N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	6.6020599913279625	8.0	1.3979400086720375	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C#N)N	P31751	P31749	8.154901959985743	9.0	0.8450980400142569	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C(=O)N)N	P31751	P31749	7.823908740944319	9.0	1.1760912590556813	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5Cl)N	P31751	P31749	7.920818753952375	9.0	1.079181246047625	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.721246399047171	9.0	1.2787536009528289	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5ccccc5)N	P31751	P31749	6.886056647693163	8.221848749616356	1.335792101923193	Same Family
[P31749, P31751]	Cc1c2c([nH]n1)ncc(n2)c3cc(cnc3c4ccoc4C)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.6020599913279625	9.0	1.3979400086720375	Same Family
[P31749, P31751]	Cc1c2cc(ccc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.823908740944319	8.522878745280337	0.6989700043360187	Same Family
[P31749, P31751]	Cc1c2cc(cnc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.823908740944319	9.0	1.1760912590556813	Same Family
[P31749, P31751]	Cc1c2cc(ncc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	P31749	7.886056647693163	9.0	1.113943352306837	Same Family
[P31749, P31751]	Cc1cc([nH]n1)c2c(nc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N)C	P31751	P31749	4.7657358756212105	4.828185818948853	0.06244994332764264	Same Family
[P31749, P31751]	Cc1cc([nH]n1)c2ccc3nc(c(n3c2)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.163675884293248	6.162411561764489	0.0012643225287591875	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)Br	P31751	P31749	6.962573502059376	7.769551078621726	0.8069775765623497	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)C	P31751	P31749	7.251811972993799	7.236572006437063	0.015239966556736206	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)C(=O)N	P31751	P31749	5.861697301833718	6.049148541111453	0.18745123927773477	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6c[nH]nc6	P31751	P31749	6.692503962086787	7.0915149811213505	0.39901101903456304	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6cccnc6	P31751	P31749	6.3872161432802645	6.823908740944319	0.4366925976640541	Same Family
[P31749, P31751]	Cc1cc(c2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6ccn[nH]6	P31751	P31749	6.133122185662502	6.640164517660112	0.5070423319976101	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)C(=O)N	P31751	P31749	7.443697499232713	7.853871964321762	0.41017446508904865	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)Cl	P31751	P31749	6.795880017344075	7.6020599913279625	0.8061799739838875	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6c[nH]nc6	P31751	P31749	7.0	6.97469413473523	0.02530586526477041	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6cc(n[nH]6)C	P31751	P31749	6.323306390375134	6.663540266151471	0.34023387577633724	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6cccnc6	P31751	P31749	6.889410289700751	6.756961951313706	0.13244833838704562	Same Family
[P31749, P31751]	Cc1cc(cn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N)c6ccn[nH]6	P31751	P31749	6.721246399047171	7.00436480540245	0.2831184063552792	Same Family
[P31749, P31751]	Cc1cc2c(nc1)-c3nc(c(n3CO2)c4ccccc4)c5ccc(cc5)C6(CC(C6)(C)O)N	P31751	P31749	9.070581074285707	7.958607314841775	1.1119737594439325	Same Family
[P31749, P31751]	Cc1ccc(cc1)c2cnc3n2nc(c(c3)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.557520230935552	7.356547323513813	0.7990270925782612	Same Family
[P31749, P31751]	Cc1ccc-2c(c1)OCn3c2nc(c3c4ccccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.823908740944319	7.585026652029182	1.2388820889151368	Same Family
[P31749, P31751]	Cc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.640164517660112	6.692503962086787	0.05233944442667582	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(cnc6n5)Br)c7ccc(cc7)F	P31751	P31749	8.154901959985743	7.958607314841775	0.19629464514396844	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)c(c(n6)OC)CO)c7c(cccc7F)F	P31751	P31749	6.966576244513051	7.7447274948966935	0.778151250383643	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)c(cn6)C(=O)OC)c7c(cccc7F)F	P31751	P31749	7.086186147616283	8.154901959985743	1.0687158123694598	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C)c7ccc(cc7F)F	P31751	P31749	6.966576244513051	7.2076083105017466	0.24103206598869598	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C)c7cccc(c7)F	P31751	P31749	7.431798275933005	7.886056647693163	0.45425837176015804	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C7CC7)c8ccc(cc8)F	P31751	P31749	7.337242168318426	7.3872161432802645	0.04997397496183886	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)SC)c7ccccc7	P31751	P31749	8.397940008672037	8.301029995663981	0.09691001300805624	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6ccnc6n5)c7ccc(cc7)F	P31751	P31749	7.769551078621726	8.045757490560675	0.2762064119389489	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6ccnc6n5)c7ccccc7F	P31751	P31749	7.769551078621726	8.522878745280337	0.7533276666586115	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(c(n6c(n5)nc(n6)C)C)c7ccccc7	P31751	P31749	8.096910013008056	8.0	0.09691001300805624	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(c(n6c(n5)nc(n6)C)NC)c7ccccc7	P31751	P31749	7.6777807052660805	7.958607314841775	0.28082660957569416	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(c(n6c(n5)nc(n6)c7ccccn7)NC(C)C)c8ccccc8	P31751	P31749	7.795880017344075	7.853871964321762	0.05799194697768684	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(c(n6cc(nc6n5)C)NC(C)C)c7ccccc7	P31751	P31749	7.443697499232713	7.481486060122113	0.03778856088939975	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(c(n6cc(nc6n5)C)NC)c7ccccc7	P31751	P31749	7.721246399047171	7.958607314841775	0.2373609157946035	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(c(nc6n5)C)Br)c7ccccc7	P31751	P31749	8.522878745280337	8.221848749616356	0.30102999566398125	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(cnc6n5)C)c7ccccc7	P31751	P31749	7.7447274948966935	8.154901959985743	0.41017446508904953	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)c(c(n6)OC)CO)c7c(cccc7F)F	P31751	P31749	7.468521082957745	8.096910013008056	0.6283889300503116	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)c(cn6)C(=O)OC)c7c(cccc7F)F	P31751	P31749	6.939302159646388	7.920818753952375	0.9815165943059867	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C(C)C)c7ccccc7	P31751	P31749	7.853871964321762	7.154901959985743	0.6989700043360187	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C)c7ccc(cc7F)F	P31751	P31749	7.376750709602099	7.5376020021010435	0.16085129249894425	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C7CC7)c8ccc(cc8)F	P31751	P31749	7.568636235841013	7.5376020021010435	0.031034233739969608	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C7CC7)c8ccccc8	P31751	P31749	8.0	8.0	0.0	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)SC)c7ccccc7	P31751	P31749	8.397940008672037	8.301029995663981	0.09691001300805624	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6cc(nc6n5)C(=O)OC)c7ccccc7	P31751	P31749	7.853871964321762	7.920818753952375	0.06694678963061307	Same Family
[P31749, P31751]	Cc1cccc(n1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6cc(nc6n5)C)c7ccccc7	P31751	P31749	7.795880017344075	7.886056647693163	0.09017663034908807	Same Family
[P31749, P31751]	Cc1cccc2n1c(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	5.961379838050298	5.822463500070138	0.13891633798015945	Same Family
[P31749, P31751]	Cc1ccccc1c2ccn3c(c(nc3n2)c4ccc(cc4)C5(CCC5)N)c6ccccc6	P31751	P31749	7.026872146400302	5.32836440339787	1.6985077430024313	Same Family
[P31749, P31751]	Cc1cccn2c1nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.562249437179612	7.0	0.43775056282038793	Same Family
[P31749, P31751]	Cc1ccn2c(c(nc2c1Cl)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.6777807052660805	6.769551078621726	0.09177037335564542	Same Family
[P31749, P31751]	Cc1ccn2c(c(nc2n1)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	6.815308569182402	5.936666641048251	0.8786419281341509	Same Family
[P31749, P31751]	Cc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.617982957425132	6.081445469449727	0.536537487975405	Same Family
[P31749, P31751]	Cc1cn2c(c(c(nc2n1)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7)NC	P31751	P31749	7.259637310505756	7.795880017344075	0.5362427068383191	Same Family
[P31749, P31751]	Cc1cn2c(c(c(nc2n1)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7)NC(C)C	P31751	P31749	7.4089353929735005	7.522878745280337	0.11394335230683694	Same Family
[P31749, P31751]	Cc1cn2c(n1)cc(c(n2)c3ccc(cc3)C4(CCC4)N)c5ccccc5	P31751	P31749	4.698970004336019	4.763034700897021	0.06406469656100189	Same Family
[P31749, P31751]	Cc1cn2cc(c(nc2n1)c3ccc(cc3)CN4CC(C4)c5nc([nH]n5)c6ccccn6)c7ccccc7	P31751	P31749	7.327902142064283	8.0	0.6720978579357171	Same Family
[P31749, P31751]	Cc1cn2cc(c(nc2n1)c3ccc(cc3)CN4CCC(CC4)c5cnc6ccccc6n5)c7ccccc7	P31751	P31749	6.59176003468815	7.113509274827518	0.5217492401393677	Same Family
[P31749, P31751]	Cc1cnc2n1nc(c(c2)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.762959208620809	6.355561410532162	0.5926022019113528	Same Family
[P31749, P31751]	Cc1cnc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.533132379645891	6.411168274405793	0.12196410524009771	Same Family
[P31749, P31751]	Cc1nc2ccccc2n1C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(ncnc6n5)N)c7ccccc7	P31751	P31749	6.507367618761695	6.908379317788817	0.40101169902712197	Same Family
[P31749, P31751]	Cc1nc2nc(c(c(n2n1)NC(C)C)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	7.603804155250873	7.934833115752497	0.3310289605016239	Same Family
[P31749, P31751]	Cc1nc2nc(c(c(n2n1)NC3CCC3)c4ccccc4)c5ccc(cc5)CN6CC(C6)c7nc([nH]n7)c8ccccn8	P31751	P31749	6.42712839779952	7.494850021680094	1.0677216238805736	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3cc(ccc3F)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.812479279163537	7.221848749616356	0.4093694704528188	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccc(cc3F)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7cc(ccn7)Cl	P31751	P31749	7.013228265733755	7.657577319177793	0.6443490534440386	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccc(cc3F)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7cnccn7	P31751	P31749	5.958607314841775	6.449771646944906	0.49116433210313115	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3cccc(c3)F)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.889410289700751	7.552841968657781	0.6634316789570294	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CC(C5)c6[nH]c(nn6)c7ccccn7	P31751	P31749	7.187086643357144	7.638272163982407	0.4511855206252626	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(C5)c6nc([nH]n6)c7ccccn7	P31751	P31749	6.361510743045363	7.356547323513813	0.99503658046845	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6[nH]c7c(n6)cccn7	P31751	P31749	6.11975822410452	6.501689446210399	0.38193122210587926	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)C#N	P31751	P31749	5.995678626217358	6.279840696594043	0.28416207037668517	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)C(F)(F)F	P31751	P31749	5.6020599913279625	5.838631997765025	0.23657200643706222	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)F	P31751	P31749	6.642065152999546	6.950781977329818	0.30871682433027203	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cnccc7n6	P31751	P31749	5.2335871528876	5.522878745280337	0.28929159239273705	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)c6cnc7ccccc7n6	P31751	P31749	5.005243055412372	5.359518563029578	0.3542755076172064	Same Family
[P31749, P31751]	Cc1nc2nc(c(cn2n1)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)n6c7c(cn6)c(ncn7)N	P31751	P31749	6.379863945026242	6.540607512240769	0.16074356721452698	Same Family
[P31749, P31751]	Cc1nnc2n1ccc3c2cc(c(n3)c4ccc(cc4)CN5CCC(CC5)c6nc([nH]n6)c7ccccn7)c8ccccc8	P31751	P31749	7.835647144215563	8.337242168318426	0.5015950241028628	Same Family
[P31749, P31751]	Cn1c2c(cc(c(n2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O)c7ccccc7)c(n1)N	P31751	P31749	6.2549252084179425	6.91721462968355	0.6622894212656076	Same Family
[P31749, P31751]	Cn1cc(cn1)c2ccc3nc(c(n3c2)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.6777807052660805	6.1605219526258015	0.517258752640279	Same Family
[P31749, P31751]	Cn1cc(cn1)c2ccn3c(c2)nc(c3c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.455931955649724	6.253365801062421	1.202566154587303	Same Family
[P31749, P31751]	Cn1cncc1c2ccc3nc(c(n3c2)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.013228265733755	5.634512015109101	1.3787162506246542	Same Family
[P31749, P31751]	Cn1cncc1c2ccn3c(c2)nc(c3c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.886056647693163	6.627087997029894	1.2589686506632694	Same Family
[P31749, P31751]	Cn1nc(nn1)c2ccc3c(c2)nc(c(n3)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7nc6O)c8ccccc8	P31751	P31749	5.7265357273786535	5.962972120244225	0.2364363928655715	Same Family
[P31749, P31751]	Cn1nc(nn1)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8nc7O	P31751	P31749	6.478861916295964	7.259637310505756	0.7807753942097921	Same Family
[P31749, P31751]	[C-]#[N+]COc1ccc2nc(c(n2c1)c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.872895201635193	7.017728766960432	0.14483356532523928	Same Family
[P31749, P31751]	[C-]#[N+]COc1ccn2c(c1)nc(c2c3ccccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.8696662315049934	6.183758700008217	0.6859075314967766	Same Family
[P31749, P31751]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P31751	P31749	4.180456064458132	4.853871964321762	0.6734158998636302	Same Family
[P31749, P31751]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P31751	P31749	5.022276394711152	5.795880017344075	0.7736036226329226	Same Family
[P31749, P31751]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	P31749	6.798602875679548	7.522878745280337	0.7242758696007892	Same Family
[P31749, P31751]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.522878745280337	8.301029995663981	0.7781512503836439	Same Family
[P31749, P31751]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.017728766960432	8.397940008672037	1.3802112417116055	Same Family
[P31749, P31751]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.522878745280337	8.301029995663981	0.7781512503836439	Same Family
[P31749, P31751]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.376750709602099	8.301029995663981	0.924279286061882	Same Family
[P31749, P31751]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	P31749	7.619788758288394	8.221848749616356	0.6020599913279625	Same Family
[P31749, P31751]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.508638306165727	8.397940008672037	0.8893017025063106	Same Family
[P31749, P31751]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	P31749	7.886056647693163	8.397940008672037	0.5118833609788744	Same Family
[P31749, P31751]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	P31749	7.337242168318426	8.154901959985743	0.8176597916673174	Same Family
[P31749, P31751]	c1cc(ccc1CN2CCC(CC2)c3nc([nH]n3)c4cc(ccn4)Cl)c5c(cn6c(n5)nc(n6)C7CC7)c8ccc(cc8)F	P31751	P31749	6.782516055786093	7.251811972993799	0.469295917207706	Same Family
[P31749, P31751]	c1cc(ccc1CN2CCC(CC2)c3nc([nH]n3)c4cnccn4)c5c(cn6ccnc6n5)c7ccc(cc7)F	P31751	P31749	5.841637507904751	6.730487055782084	0.8888495478773333	Same Family
[P31749, P31751]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	P31749	7.180456064458132	7.886056647693163	0.7056005832350314	Same Family
[P31749, P31751]	c1cc2c(c(c1)F)-c3nc(c(n3CO2)c4ccncc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.040958607678906	7.657577319177793	1.3833812885011127	Same Family
[P31749, P31751]	c1cc2c(c(c1)F)-c3nc(c(n3CO2)c4ccsc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.148741651280925	8.148741651280925	1.0	Same Family
[P31749, P31751]	c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br	P31751	P31749	6.229147988357856	5.6690251747664755	0.5601228135913807	Same Family
[P31749, P31751]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P31751	P31749	6.142667503568732	6.107905397309519	0.03476210625921272	Same Family
[P31749, P31751]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	P31749	6.6777807052660805	7.3872161432802645	0.7094354380141841	Same Family
[P31749, P31751]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	P31749	6.721246399047171	7.508638306165727	0.7873919071185558	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc(c(=O)[nH]2)Cc3ccc(cc3)O)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	P31749	4.3441895055047475	4.664141088680182	0.3199515831754347	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3c(ccc4)Cl)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.522878745280337	8.086186147616283	1.436692597664054	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3c(ccc4)F)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.537602002101044	8.431798275933005	1.1058037261680393	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3c(ccc4)F)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.920818753952375	7.795880017344075	1.1249387366083	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.0	8.4089353929735	0.5910646070264995	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.55284196865778	7.886056647693163	0.6667853209646175	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cccc4F)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.853871964321762	8.638272163982407	0.21559980033935489	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cccn4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.040958607678906	8.853871964321762	0.1870866433571443	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.795880017344075	8.4089353929735	0.38694462437057453	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3ccnc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	9.318758762624412	8.795880017344075	0.5228787452803374	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3ccnc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.958607314841775	8.259637310505756	0.6989700043360187	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3cncc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.769551078621726	7.853871964321762	0.9156791142999641	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3nccc4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.795880017344075	7.958607314841775	0.8372727025023003	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3nccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.397940008672037	7.455931955649724	0.9420080530223132	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc-3n2COc4c3nccn4)c5ccc(cc5)C6(CC(C6)(C7CC7)O)N	P31751	P31749	8.481486060122112	8.267606240177031	0.2138798199450811	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)O)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	P31749	6.411168274405793	6.779891911959945	0.36872363755415183	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3cc(ccc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	P31749	6.841637507904751	7.698970004336019	0.8573324964312681	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3cc4cn[nH]c4cc3n2)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	P31749	6.522878745280337	7.070581074285707	0.5477023290053697	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3ccc(cc3n2)C(=O)O)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	P31749	6.55129368009492	6.619788758288394	0.06849507819347345	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3ccc(cc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	P31749	7.187086643357144	7.200659450546419	0.01357280718927445	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3ccccc3n2)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	P31749	5.679853713888946	6.533889993061441	0.8540362791724956	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(c(c3)Cl)Cl)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.031517051446065	6.823908740944319	0.20760831050174655	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)Br)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.995678626217358	7.356547323513813	0.3608686972964552	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C#N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.370590400897281	6.542118103266008	0.17152770236872694	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.180456064458132	7.173925197299173	0.006530867158958564	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)NC4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.5301779840218375	6.30715308072277	0.2230249032990672	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)NCC4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.621602099051862	6.465973893943865	0.15562820510799735	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)NCCF)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.841637507904751	6.373659632624958	0.46797787527979295	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)NCCO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.31695296176115	5.9446216686249995	0.3723312931361509	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)NO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.928117992693875	6.590066876668706	0.33805111602516913	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C(=O)O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.173925197299173	7.040958607678906	0.13296658962026697	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.812479279163537	6.13430394008393	0.6781753390796075	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)C=CC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.872895201635193	6.459670525209126	0.41322467642606675	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)CO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.414539270491499	6.297569463554475	0.11696980693702397	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)Cl)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.055517327849832	7.443697499232713	0.3881801713828814	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)F)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.414539270491499	6.995678626217358	0.5811393557258588	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.23210238398191	6.068542129310995	0.16356025467091495	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)NC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.655607726314889	6.59176003468815	0.06384769162673898	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.338187314462739	6.518557371497695	0.18037005703495623	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4[nH]ccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.297569463554475	6.493494967595128	0.19592550404065268	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4c[nH]nc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.939302159646388	6.6595558851598815	0.2797462744865067	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4cc[nH]n4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.2247537402597635	6.767003889607846	0.5422501493480825	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4ccccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.335358024443875	6.275724130399211	0.059633894044663904	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4cccnc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.798602875679548	6.266802734893431	0.5318001407861175	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4cccnc4O)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.210419287835575	5.82102305270683	0.38939623512874455	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4ccncc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.540607512240769	6.273272790973428	0.2673347212673418	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4cnc[nH]4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.432973633840939	6.709965388637482	0.27699175479654237	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)c4n[nH]nn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.251811972993799	7.130768280269024	0.12104369272477555	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3)n4cccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.714442690992226	6.642065152999546	0.0723775379926801	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3Br)C(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.619788758288394	7.958607314841775	0.338818556553381	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3C(=O)N)c4c[nH]nc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.301029995663981	7.173925197299173	0.12710479836480815	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3C(=O)N)c4cccnc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.950781977329818	6.752026733638194	0.19875524369162445	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3C(=O)N)c4ccn[nH]4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.924453038607469	7.161150909262744	0.23669787065527537	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3Cl)C#N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.401209493236885	6.85078088734462	0.4495713941077355	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3Cl)C(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.552841968657781	7.920818753952375	0.3679767852945943	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3Cl)Cl)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.2076083105017466	8.154901959985743	0.9472936494839965	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cc(cc3F)F)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.136677139879544	7.2839966563652006	0.14731951648565644	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C#N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.2839966563652006	6.838631997765025	0.4453646586001758	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.301029995663981	6.690369832574102	0.6106601630898796	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C(=O)N4CCCC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.284832642151542	4.711817869386342	1.5730147727652	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C(=O)NO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.318758762624412	6.87942606879415	0.43933269383026197	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C(=O)O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.5376020021010435	6.259637310505756	1.2779646915952876	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.995678626217358	5.786216700664696	1.2094619255526622	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)C=CC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.356547323513813	6.7594507517174005	0.5970965717964125	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)CCC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.379863945026242	4.896606830026472	1.4832571149997706	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)CO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.447331783887807	5.7517814388099255	0.6955503450778817	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)Cl)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.221848749616356	6.94692155651658	0.2749271930997761	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)F)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.102372908709558	7.1938200260161125	0.0914471173065543	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.148130399270234	6.289036881004725	0.14090648173449072	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)NC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.036212172654444	6.34008379993015	0.6961283727242948	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.693360558975739	5.895171596346344	0.20181103737060546	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)OCC(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.87942606879415	6.401209493236885	0.4782165755572656	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4[nH]ccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.096910013008056	7.1487416512809245	0.9481683617271317	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4c[nH]nc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.657577319177793	6.72584215073632	0.931735168441473	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4cc[nH]n4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.638272163982407	6.815308569182402	0.8229635948000054	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4ccc(cc4)F)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.301029995663981	6.004803708402821	1.2962262872611605	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4ccccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.721246399047171	6.690369832574102	1.0308765664730695	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4cccnc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.154901959985743	6.889410289700751	1.2654916702849919	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4ccncc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.096910013008056	6.7423214251308154	1.3545885878772408	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4cnc[nH]4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.657577319177793	6.673664139071248	0.983913180106545	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)c4n[nH]nn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.045757490560675	7.585026652029182	0.460730838531493	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(c3)n4cccn4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.886056647693163	6.991399828238082	0.894656819455081	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)C4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.267606240177032	5.996108833763089	1.2714974064139426	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)O)c4ccc(cc4)C5(CC(C5)O)N	P31751	P31749	6.059981844992337	6.4156687756324695	0.35568693064013246	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.248720896016658	6.2644011003018205	0.015680204285162702	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)OC4CCCCC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.860120913598763	5.881074247174223	0.9790466664245399	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)OCC4(CC4)C(=O)N)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.471083299722345	5.972242795309446	0.4988405044128985	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)OCCN4CCCC4=O)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.1095789811990855	5.7801536139756395	0.32942536722344595	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2ccc(n3)n4ccccc4=O)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.39577394691553	5.644356949779131	0.7514169971363991	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.361510743045363	6.82102305270683	0.4595123096614673	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3Br)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.790484985457369	7.481486060122113	0.6910010746647437	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3C#N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.504455662453552	7.1938200260161125	0.6893643635625608	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3C(=O)N)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.812479279163537	7.236572006437063	0.42409272727352576	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3C4CC4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.5968794788241825	6.853871964321762	0.25699248549757936	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3CO)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.580044251510242	6.774690718274138	0.19464646676389563	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3Cl)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.665546248849069	7.366531544420414	0.7009852955713445	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3F)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.557520230935552	6.847711655616943	0.2901914246813915	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3O)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.152427340857888	6.229147988357856	0.07672064749996821	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3c4c[nH]nc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.636388020107856	7.00436480540245	0.3679767852945943	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3c4ccc(cc4)F)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.283162276700476	6.511449283499556	0.22828700679908032	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3c4ccc5cn[nH]c5c4)c6ccc(cc6)C7(CCC7)N	P31751	P31749	6.125518182300533	6.4089353929735005	0.2834172106729671	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3c4cccc(c4)F)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.318758762624412	6.681936665037238	0.36317790241282566	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccc3c4ccn[nH]4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.769551078621726	7.1938200260161125	0.4242689473943866	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(nc3n2cccn3)c4ccc(cc4)C5(CCC5)N	P31751	P31749	6.249491605148654	6.458420756053419	0.2089291509047655	Same Family
[P31749, P31751]	c1ccc(cc1)c2c(ncc(=O)[nH]2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O	P31751	P31749	4.804100347590766	5.518700726667144	0.7146003790763782	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc(c(nc2c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O)Cl)C#N	P31751	P31749	5.13335827943396	6.5968794788241825	1.4635211993902226	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc(c(nc2c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O)N)C#N	P31751	P31749	5.685711339052502	6.305394801066432	0.6196834620139295	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccc(=N)n3C(=N)N)nc2c4ccc(cc4)C5(CCC5)N	P31751	P31749	7.619788758288394	8.214670164989233	0.5948814067008392	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccc(=N)n3C(=N)O)nc2c4ccc(cc4)C5(CCC5)NC(=O)Cc6cccnc6	P31751	P31749	6.698970004336019	7.4089353929735005	0.7099653886374817	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccc(=N)n3C(=N)c4ccccc4)nc2c5ccc(cc5)C6(CC(C6)(F)F)N	P31751	P31749	6.853871964321762	8.0	1.1461280356782382	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccc(=N)n3C(=N)c4ccccc4)nc2c5ccc(cc5)C6(CCC6)N	P31751	P31749	7.494850021680094	8.638272163982407	1.1434221423023132	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	8.0	8.397940008672037	0.3979400086720375	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4CCl)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	7.978810700930062	7.573488738635425	0.4053219622946367	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4CNCCO)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	7.108462542327436	7.769551078621726	0.6610885362942902	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4N)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	8.0268721464003	8.55284196865778	0.5259698222574798	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4N)nc2c5ccc(cc5)CN6CCC(CC6)n7cc(nc7)c8ccccn8	P31751	P31749	8.55284196865778	8.481486060122112	0.07135590853566853	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4NC(=O)N)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	7.617982957425132	8.070581074285707	0.4525981168605755	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4O)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	8.173925197299173	8.585026652029182	0.4111014547300087	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ccn4c3nnc4S)nc2c5ccc(cc5)CN6CCC(CC6)c7nc([nH]n7)c8ccccn8	P31751	P31749	7.982966660701219	8.0	0.017033339298780703	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(n[nH]c3nc2c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O)N	P31751	P31749	5.13335827943396	7.0655015487564325	1.9321432693224727	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(nc(nc3nc2c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O)N)N	P31751	P31749	6.562249437179612	6.97061622231479	0.4083667851351782	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(nc(nc3nc2c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O)O)N	P31751	P31749	6.238824186844268	6.61261017366127	0.37378598681700215	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(ncnc3nc2c4ccc(cc4)CN5CCC(CC5)n6cnc7c6ncnc7N)N	P31751	P31749	6.157390760389438	6.889410289700751	0.7320195293113132	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(nn(c3nc2c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O)CCO)N	P31751	P31749	5.910801633194851	6.882728704344236	0.9719270711493841	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3c(nn(c3nc2c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O)CCc8c[nH]cn8)N	P31751	P31749	6.0762380391713	7.6777807052660805	1.6015426660947805	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3cnc(nc3nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c(nn6)c7ccccn7)C#N	P31751	P31749	6.23210238398191	7.0	0.7678976160180904	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3cnc(nc3nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c(nn6)c7ccccn7)C(=O)N	P31751	P31749	5.431094585017121	7.015922966097169	1.5848283810800483	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3nc(c(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)F)Br	P31751	P31749	7.3872161432802645	7.167491087293763	0.21972505598650116	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3nc(c(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)F)Cl	P31751	P31749	6.97469413473523	7.00436480540245	0.029670670667220733	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)Br	P31751	P31749	6.578396073130169	7.130768280269024	0.5523722071388546	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)C=CC(=O)N	P31751	P31749	6.653647025549361	7.42021640338319	0.7665693778338287	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6c[nH]nc6	P31751	P31749	7.173925197299173	8.045757490560675	0.8718322932615017	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(c(c6)CO)F	P31751	P31749	7.036212172654444	8.045757490560675	1.0095453179062304	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)C#N	P31751	P31749	6.866461091629782	6.889410289700751	0.022949198070969068	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)C(=O)N	P31751	P31749	6.928117992693875	7.568636235841013	0.6405182431471381	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)CO	P31751	P31749	6.910094888560602	7.721246399047171	0.8111515104865692	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)F	P31751	P31749	7.0915149811213505	7.443697499232713	0.3521825181113627	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(cc6)S(=O)(=O)N	P31751	P31749	6.82102305270683	7.327902142064283	0.5068790893574526	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc(nc6)O	P31751	P31749	6.3655227298392685	6.835647144215563	0.4701244143762944	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccc7cn[nH]c7c6	P31751	P31749	7.657577319177793	7.958607314841775	0.30102999566398125	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6cccc(c6)C#N	P31751	P31749	7.086186147616283	8.301029995663981	1.214843848047698	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6cccc(c6)C(=O)N	P31751	P31749	7.167491087293763	7.886056647693163	0.7185655603993997	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6cccc(c6)CO	P31751	P31749	7.431798275933005	8.221848749616356	0.7900504736833511	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3ncc(n3nc2c4ccc(cc4)C5(CCC5)N)c6ccn[nH]6	P31751	P31749	7.154901959985743	7.958607314841775	0.8037053548560316	Same Family
[P31749, P31751]	c1ccc(cc1)c2cc3nccn3nc2c4ccc(cc4)C5(CCC5)N	P31751	P31749	5.841939206063395	6.609064892896621	0.7671256868332259	Same Family
[P31749, P31751]	c1ccc(cc1)c2ccn3c(c(nc3n2)c4ccc(cc4)C5(CCC5)N)c6ccccc6	P31751	P31749	7.481486060122113	6.7544873321858505	0.7269987279362624	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(ccn3)nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7c(n6)cccn7	P31751	P31749	5.966576244513051	7.376750709602099	1.4101744650890486	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(ccn3)nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)C#N	P31751	P31749	6.5003129173815966	7.4089353929735005	0.9086224755919039	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(ccn3)nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)F	P31751	P31749	5.962573502059376	7.376750709602099	1.414177207542723	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(ccn3)nc2c4ccc(cc4)CN5CCC(CC5)n6c7c(cn6)c(ncn7)N	P31751	P31749	6.478861916295964	7.6020599913279625	1.1231980750319988	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(cnc3nc2c4ccc(cc4)CN5CC(C5)c6[nH]c(nn6)c7ccccn7)Cl	P31751	P31749	7.958607314841775	8.221848749616356	0.2632414347745815	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(cnc3nc2c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)Br	P31751	P31749	7.853871964321762	8.221848749616356	0.3679767852945943	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(nc2c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)nc(n3)C8CC8	P31751	P31749	8.301029995663981	8.154901959985743	0.14612803567823818	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3c(nc2c4ccc(cc4)CN5CCC(CC5)c6cnc7ccccc7n6)nc(n3)C8CC8	P31751	P31749	6.5638373529592435	6.607303046740334	0.043465693781090664	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3cc(nc3nc2c4ccc(cc4)CN5CC(C5)c6nc([nH]n6)c7ccccn7)CO	P31751	P31749	6.906578314837765	7.142667503568732	0.23608918873096663	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3ccnc3nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7c(n6)cccn7	P31751	P31749	6.2168113089247425	7.251811972993799	1.0350006640690568	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3ccnc3nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cc(ccc7n6)C#N	P31751	P31749	6.370590400897281	7.080921907623926	0.7103315067266456	Same Family
[P31749, P31751]	c1ccc(cc1)c2cn3ccnc3nc2c4ccc(cc4)CN5CCC(CC5)c6[nH]c7cnccc7n6	P31751	P31749	5.913640169325252	6.804100347590766	0.8904601782655144	Same Family
[P31749, P31751]	c1ccc(cc1)c2cnc3nc(c(n3c2)c4ccccc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	6.259637310505756	6.164309428507575	0.09532788199818132	Same Family
[P31749, P31751]	c1ccc2c(c1)-c3nc(c(n3CO2)c4ccncc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.187086643357144	7.292429823902063	0.894656819455081	Same Family
[P31749, P31751]	c1ccc2c(c1)-c3nc(c(n3CO2)c4ccsc4)c5ccc(cc5)C6(CCC6)N	P31751	P31749	8.267606240177031	7.568636235841013	0.6989700043360179	Same Family
[P31749, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P31751	P31749	8.301029995663981	8.744727494896694	0.4436974992327123	Same Family
[P31749, P31751]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P31751	P31749	7.6777807052660805	8.468521082957745	0.7907403776916642	Same Family
[P31749, P31751]	c1ccc2c(c1)ncc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6ccnc6n5)c7ccc(cc7)F	P31751	P31749	5.640164517660112	6.437707135543525	0.7975426178834137	Same Family
[P31749, P31751]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P31751	P31749	7.698970004336019	7.698970004336019	0.0	Same Family
[P31749, P31751]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P31751	P31749	5.481486060122113	5.443697499232713	0.03778856088939975	Same Family
[P31749, P31751]	c1ccnc(c1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(cnc6n5)Cl)c7ccc(cc7)F	P31751	P31749	7.481486060122113	7.6020599913279625	0.12057393120584958	Same Family
[P31749, P31751]	c1ccnc(c1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6c(n5)nc(n6)C7CC7)c8ccc(cc8)F	P31751	P31749	7.161150909262744	7.494850021680094	0.3336991124173494	Same Family
[P31749, P31751]	c1ccnc(c1)c2[nH]nc(n2)C3CCN(CC3)Cc4ccc(cc4)c5c(cn6ccnc6n5)c7ccc(cc7)F	P31751	P31749	7.494850021680094	8.096910013008056	0.6020599913279625	Same Family
[P31749, P31751]	c1ccnc(c1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6c(n5)c(cn6)CO)c7c(cccc7F)F	P31751	P31749	6.096367483915762	7.259637310505756	1.1632698265899934	Same Family
[P31749, P31751]	c1ccnc(c1)c2[nH]nc(n2)C3CN(C3)Cc4ccc(cc4)c5c(cn6ccnc6n5)c7ccc(cc7)F	P31751	P31749	6.5968794788241825	7.585026652029182	0.9881471732049993	Same Family
[P31751, Q9Y243]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P31751	Q9Y243	8.301029995663981	7.4089353929735005	0.8920946026904808	Same Family
[P31751, Q9Y243]	CC(C)Cc1c(nc(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6nc5O)O	P31751	Q9Y243	6.488116639021126	4.660151216962363	1.827965422058763	Same Family
[P31751, Q9Y243]	CC(C)NCC(c1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3c4c(ncn3)CCC4C=C	P31751	Q9Y243	8.221848749616356	9.0	0.7781512503836439	Same Family
[P31751, Q9Y243]	CC(C)NCC(c1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3c4c(ncn3)CCC4CF	P31751	Q9Y243	8.221848749616356	8.301029995663981	0.07918124604762511	Same Family
[P31751, Q9Y243]	CC(C)NCC(c1ccc(cc1)Cl)C(=O)N2CCN(CC2)c3c4c(ncn3)CCC4CO	P31751	Q9Y243	6.448550002027125	7.080921907623926	0.6323719055968011	Same Family
[P31751, Q9Y243]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	5.066613958096946	5.5386515663520175	0.47203760825507146	Same Family
[P31751, Q9Y243]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	6.46344155742847	6.7544873321858505	0.29104577475738047	Same Family
[P31751, Q9Y243]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	6.094204119632131	6.121478204498794	0.027274084866662385	Same Family
[P31751, Q9Y243]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	6.149353764816934	6.235077015350112	0.08572325053317797	Same Family
[P31751, Q9Y243]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	4.782568700732143	5.09339562827502	0.3108269275428768	Same Family
[P31751, Q9Y243]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	5.090925598599096	5.370590400897281	0.2796648022981847	Same Family
[P31751, Q9Y243]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P31751	Q9Y243	8.009574717087297	8.15051499783199	0.14094028074469378	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN(C)C(C)C)c4ccc(cc4)Cl)O	P31751	Q9Y243	7.508638306165727	7.552841968657781	0.04420366249205365	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN)c4ccc(cc4)C(F)(F)F)O	P31751	Q9Y243	7.522878745280337	7.568636235841013	0.045757490560675684	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN)c4ccc(cc4)Cl)O	P31751	Q9Y243	7.180456064458132	7.346787486224656	0.16633142176652438	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN4CCC(CC4)F)c5ccc(cc5)Cl)O	P31751	Q9Y243	7.958607314841775	8.0	0.04139268515822536	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)(C)C)c4ccc(c(c4)F)C(F)(F)F)O	P31751	Q9Y243	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)c4ccc(c(c4)F)C(F)(F)F)O	P31751	Q9Y243	8.221848749616356	8.698970004336019	0.4771212547196626	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)c4ccc(cc4)Cl)O	P31751	Q9Y243	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(c(c4)F)Cl)O	P31751	Q9Y243	7.769551078621726	8.154901959985743	0.3853508813640172	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)(F)F	P31751	Q9Y243	5.379135524734879	5.380906669373258	0.0017711446383783525	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)F	P31751	Q9Y243	7.654901959985743	7.8191360819912035	0.1642341220054604	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC4CCC(CC4)OC)c5ccc(cc5)Cl)O	P31751	Q9Y243	8.0	8.397940008672037	0.3979400086720375	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC4CCCCC4)c5ccc(cc5)Cl)O	P31751	Q9Y243	7.7447274948966935	8.154901959985743	0.41017446508904953	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC4CCOCC4)c5ccc(c(c5)F)Cl)O	P31751	Q9Y243	7.619788758288394	7.920818753952375	0.30102999566398125	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC4CCOCC4)c5ccc(cc5)Cl)O	P31751	Q9Y243	7.823908740944319	8.301029995663981	0.4771212547196626	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC(F)(F)F)c4ccc(cc4)Cl)O	P31751	Q9Y243	5.697885623043799	6.09799710864927	0.4001114856054713	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC4CC4)c5ccc(c(c5)F)C(F)(F)F)O	P31751	Q9Y243	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC4CC4)c5ccc(cc5)Cl)O	P31751	Q9Y243	7.920818753952375	8.301029995663981	0.38021124171160636	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC4CCOCC4)c5ccc(cc5)Cl)O	P31751	Q9Y243	8.221848749616356	8.397940008672037	0.17609125905568135	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCCF)c4ccc(cc4)Cl)O	P31751	Q9Y243	7.481486060122113	7.6777807052660805	0.19629464514396755	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCCOC)c4ccc(cc4)Cl)O	P31751	Q9Y243	7.769551078621726	7.886056647693163	0.11650556907143717	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(c4ccc(cc4)Cl)C5CCCCN5)O	P31751	Q9Y243	7.657577319177793	7.920818753952375	0.2632414347745815	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(c4ccc(cc4)Cl)C5CCCN5)O	P31751	Q9Y243	8.221848749616356	8.301029995663981	0.07918124604762511	Same Family
[P31751, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(c4ccc(cc4)Cl)C5COCCN5)O	P31751	Q9Y243	7.5376020021010435	7.585026652029182	0.04742464992813833	Same Family
[P31751, Q9Y243]	CC1CCc2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl	P31751	Q9Y243	7.920818753952375	8.301029995663981	0.38021124171160636	Same Family
[P31751, Q9Y243]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	7.638272163982407	7.823908740944319	0.18563657696191171	Same Family
[P31751, Q9Y243]	CCNc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5ccccc5)N	P31751	Q9Y243	5.200659450546418	6.301029995663981	1.1003705451175634	Same Family
[P31751, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P31751	Q9Y243	7.886056647693163	8.045757490560675	0.15970084286751174	Same Family
[P31751, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCNCC4	P31751	Q9Y243	8.096910013008056	7.3979400086720375	0.6989700043360187	Same Family
[P31751, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCCN	P31751	Q9Y243	8.045757490560675	7.161150909262744	0.8846065812979305	Same Family
[P31751, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCCc4ccc(cc4)OC	P31751	Q9Y243	8.221848749616356	7.795880017344075	0.42596873227228116	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	P31751	Q9Y243	6.0	6.400116927926312	0.40011692792631237	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	P31751	Q9Y243	6.690369832574102	6.42021640338319	0.2701534291909118	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	P31751	Q9Y243	5.6307841425898575	5.889410289700751	0.2586261471108937	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	P31751	Q9Y243	5.600326278518962	5.809948582240794	0.2096223037218321	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	P31751	Q9Y243	5.0	5.519993057042849	0.519993057042849	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCNCC4	P31751	Q9Y243	5.590066876668706	5.640164517660112	0.05009764099140579	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	P31751	Q9Y243	5.400116927926312	5.85078088734462	0.45066395941830795	Same Family
[P31751, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	P31751	Q9Y243	6.130181792020672	6.189767482004916	0.05958568998424418	Same Family
[P31751, Q9Y243]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	7.853871964321762	8.154901959985743	0.30102999566398125	Same Family
[P31751, Q9Y243]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	7.823908740944319	8.397940008672037	0.5740312677277188	Same Family
[P31751, Q9Y243]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	6.886056647693163	7.0	0.11394335230683694	Same Family
[P31751, Q9Y243]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31751	Q9Y243	7.443697499232713	7.522878745280337	0.07918124604762422	Same Family
[P31751, Q9Y243]	Cc1c(=O)[nH]c(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O	P31751	Q9Y243	5.928486194904911	4.480172006224281	1.44831418868063	Same Family
[P31751, Q9Y243]	Cc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	7.200659450546419	8.0	0.7993405494535812	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4)C#N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	6.6020599913279625	7.721246399047171	1.1191864077192086	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C#N)N	P31751	Q9Y243	8.154901959985743	9.0	0.8450980400142569	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C(=O)N)N	P31751	Q9Y243	7.823908740944319	9.0	1.1760912590556813	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5Cl)N	P31751	Q9Y243	7.920818753952375	8.698970004336019	0.7781512503836439	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	7.721246399047171	8.698970004336019	0.9777236052888476	Same Family
[P31751, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5ccccc5)N	P31751	Q9Y243	6.886056647693163	8.221848749616356	1.335792101923193	Same Family
[P31751, Q9Y243]	Cc1c2cc(ccc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	7.823908740944319	9.0	1.1760912590556813	Same Family
[P31751, Q9Y243]	Cc1c2cc(cnc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	7.823908740944319	8.698970004336019	0.8750612633917001	Same Family
[P31751, Q9Y243]	Cc1c2cc(ncc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31751	Q9Y243	7.886056647693163	8.522878745280337	0.6368220975871743	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q9Y243	6.798602875679548	6.978810700930062	0.1802078252505135	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.522878745280337	7.619788758288394	0.09691001300805624	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.017728766960432	7.443697499232713	0.42596873227228116	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.522878745280337	8.0	0.4771212547196626	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.376750709602099	7.823908740944319	0.44715803134221943	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q9Y243	7.619788758288394	7.657577319177793	0.03778856088939975	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.508638306165727	7.7447274948966935	0.23608918873096663	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31751	Q9Y243	7.886056647693163	8.221848749616356	0.3357921019231931	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q9Y243	7.877243666092925	7.9604093769761874	0.08316571088326263	Same Family
[P31751, Q9Y243]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q9Y243	7.337242168318426	7.3979400086720375	0.06069784035361181	Same Family
[P31751, Q9Y243]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31751	Q9Y243	7.180456064458132	7.2441251443275085	0.06366907986937687	Same Family
[P31751, Q9Y243]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	Q9Y243	6.6777807052660805	6.568636235841013	0.10914446942506739	Same Family
[P31751, Q9Y243]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31751	Q9Y243	6.721246399047171	6.823908740944319	0.10266234189714751	Same Family
[P31751, Q9Y243]	c1ccc(cc1)Cc2c(=O)[nH]c(c(n2)c3ccccc3)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	Q9Y243	5.755722879198157	5.400881434944637	0.3548414442535206	Same Family
[P31751, Q9Y243]	c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)O)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31751	Q9Y243	6.411168274405793	5.494850021680094	0.9163182527256994	Same Family
[P31751, Q9Y243]	c1ccc(cc1)c2c(nc3cc(ccc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	Q9Y243	6.841637507904751	5.792365632611038	1.0492718752937122	Same Family
[P31751, Q9Y243]	c1ccc(cc1)c2c(nc3cc4cn[nH]c4cc3n2)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	Q9Y243	6.522878745280337	5.619788758288394	0.9030899869919438	Same Family
[P31751, Q9Y243]	c1ccc(cc1)c2c(nc3ccc(cc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31751	Q9Y243	7.187086643357144	5.910801633194851	1.276285010162293	Same Family
[P31751, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P31751	Q9Y243	8.301029995663981	7.136677139879544	1.1643528557844371	Same Family
[P31751, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N	P31751	Q9Y243	6.590066876668706	6.450996737974212	0.13907013869449347	Same Family
[P31751, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P31751	Q9Y243	7.6777807052660805	7.119186407719209	0.5585942975468718	Same Family
[P31751, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P31751	Q9Y243	8.167491087293763	7.455931955649724	0.7115591316440391	Same Family
[P24941, Q00534]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	Q00534	P24941	7.920818753952375	8.468521082957745	0.5477023290053697	Different Family
[P24941, Q00534]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	Q00534	P24941	7.4089353929735005	4.119186407719209	3.289748985254292	Different Family
[P24941, Q00534]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	Q00534	P24941	7.096910013008056	6.769551078621726	0.32735893438633035	Different Family
[P24941, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	Q00534	P24941	7.376750709602099	7.431798275933005	0.055047566330905795	Different Family
[P24941, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	Q00534	P24941	7.481486060122113	7.443697499232713	0.03778856088939975	Different Family
[P24941, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	Q00534	P24941	7.301029995663981	7.251811972993799	0.04921802267018194	Different Family
[P24941, Q00534]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P24941	7.5376020021010435	7.6020599913279625	0.06445798922691903	Different Family
[P24941, Q00534]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	Q00534	P24941	8.10790539730952	5.769551078621726	2.3383543186877933	Different Family
[P24941, Q00534]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P24941	7.366531544420414	7.327902142064283	0.03862940235613088	Different Family
[P24941, Q00534]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	Q00534	P24941	7.1487416512809245	7.096910013008056	0.0518316382728683	Different Family
[P06493, Q00534]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	Q00534	P06493	7.920818753952375	9.0	1.079181246047625	Different Family
[P06493, Q00534]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	Q00534	P06493	7.4089353929735005	3.9469215565165805	3.46201383645692	Different Family
[P06493, Q00534]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	Q00534	P06493	7.096910013008056	7.522878745280337	0.42596873227228116	Different Family
[P06493, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	Q00534	P06493	7.376750709602099	6.243363891754152	1.1333868178479474	Different Family
[P06493, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	Q00534	P06493	7.481486060122113	6.244887733604929	1.2365983265171838	Different Family
[P06493, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	Q00534	P06493	7.301029995663981	6.214670164989233	1.0863598306747484	Different Family
[P06493, Q00534]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P06493	7.5376020021010435	6.282329496997738	1.2552725051033056	Different Family
[P06493, Q00534]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	Q00534	P06493	8.10790539730952	6.221848749616356	1.886056647693163	Different Family
[P06493, Q00534]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P06493	7.366531544420414	6.2335871528876	1.1329443915328135	Different Family
[P06493, Q00534]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	Q00534	P06493	7.1487416512809245	6.913640169325252	0.23510148195567293	Different Family
[P11802, Q00534]	CC(C)(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	8.154901959985743	8.259637310505756	0.10473535052001282	Same Family
[P11802, Q00534]	CC(C)(Cn1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5)CO	Q00534	P11802	6.889410289700751	7.136677139879544	0.2472668501787929	Same Family
[P11802, Q00534]	CC(C)NC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.698970004336019	8.244125144327509	0.5451551399914898	Same Family
[P11802, Q00534]	CC(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCC(CC5)N(C)C	Q00534	P11802	8.318758762624412	8.602059991327963	0.2833012287035501	Same Family
[P11802, Q00534]	CC(CNC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6)O	Q00534	P11802	8.33217077385535	8.600674677277365	0.26850390342201536	Same Family
[P11802, Q00534]	CC(CNc1ccc(nn1)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)O	Q00534	P11802	7.690453334686628	8.28319507833814	0.5927417436515121	Same Family
[P11802, Q00534]	CC(CO)NC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.194669918455059	8.235541649861172	0.040871731406113554	Same Family
[P11802, Q00534]	CC(CO)NC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.922331981267469	8.772577569995745	0.850245588728276	Same Family
[P11802, Q00534]	CC(CO)Nc1ccc(nn1)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	7.663121031725211	8.21356419889976	0.5504431671745493	Same Family
[P11802, Q00534]	CC(CO)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	7.5376020021010435	7.372363747448347	0.1652382546526967	Same Family
[P11802, Q00534]	CC(Cn1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCC(C5)O)O	Q00534	P11802	6.229147988357856	6.735284822816507	0.5061368344586512	Same Family
[P11802, Q00534]	CC(Cn1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCC(CC5)N(C)C)O	Q00534	P11802	6.503070351926785	6.846401789425293	0.3433314374985086	Same Family
[P11802, Q00534]	CC(Cn1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5)O	Q00534	P11802	6.431798275933005	6.778603387030115	0.34680511109711	Same Family
[P11802, Q00534]	CC1(CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6)C	Q00534	P11802	8.958607314841775	8.455931955649724	0.5026753591920503	Same Family
[P11802, Q00534]	CC1(CCC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.050609993355087	8.275724130399212	0.22511413704412497	Same Family
[P11802, Q00534]	CC1(CN(CCN1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6)C	Q00534	P11802	7.552841968657781	7.356547323513813	0.19629464514396755	Same Family
[P11802, Q00534]	CC1(CN(CCN1)c2ccc(nn2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6)C	Q00534	P11802	7.468521082957745	7.221848749616356	0.2466723333413885	Same Family
[P11802, Q00534]	CC1(CN(CCN1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6)C	Q00534	P11802	7.920818753952375	7.769551078621726	0.151267675330649	Same Family
[P11802, Q00534]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	Q00534	P11802	7.920818753952375	8.193820026016112	0.2730012720637376	Same Family
[P11802, Q00534]	CC1CCC(CC1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.356547323513812	8.920818753952375	0.5642714304385628	Same Family
[P11802, Q00534]	CC1CN(CC(N1)C)c2ccc(nc2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.522878745280337	7.508638306165727	0.014240439114610481	Same Family
[P11802, Q00534]	CC1CN(CC(N1)C)c2ccc(nc2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.657577319177793	7.698970004336019	0.04139268515822536	Same Family
[P11802, Q00534]	CC1CN(CC(N1)C)c2ccc(nn2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.4089353929735005	7.886056647693163	0.4771212547196626	Same Family
[P11802, Q00534]	CC1CN(CCN1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.548455006504028	7.747425010840047	0.19897000433601875	Same Family
[P11802, Q00534]	CC1CN(CCN1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)CCCO	Q00534	P11802	6.7544873321858505	7.096910013008056	0.3424226808222057	Same Family
[P11802, Q00534]	CC1CN(CCN1)c2ccc(nn2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.638272163982407	7.327902142064283	0.310370021918124	Same Family
[P11802, Q00534]	CC1CN(CCN1)c2ccc(nn2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.568636235841013	8.4089353929735	0.8402991571324874	Same Family
[P11802, Q00534]	CC1CN(CCN1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.824633774141935	8.414575898178345	0.5899421240364102	Same Family
[P11802, Q00534]	CCC(C)(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	7.6020599913279625	7.522878745280337	0.07918124604762511	Same Family
[P11802, Q00534]	CCC(C)(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCC(CC5)N(C)C	Q00534	P11802	7.853871964321762	8.154901959985743	0.30102999566398125	Same Family
[P11802, Q00534]	CCC(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCC(C5)O	Q00534	P11802	7.301029995663981	8.261439372640169	0.9604093769761874	Same Family
[P11802, Q00534]	CCC(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNC(C5)(C)C	Q00534	P11802	7.113509274827518	7.1764552856417225	0.06294601081420481	Same Family
[P11802, Q00534]	CCC(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCC(C5)O	Q00534	P11802	7.309803919971486	7.657577319177793	0.34777339920630723	Same Family
[P11802, Q00534]	CCC(C)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCNC(C5)(C)C	Q00534	P11802	7.698970004336019	7.877243666092925	0.17827366175690607	Same Family
[P11802, Q00534]	CCC(CC)n1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	7.795880017344075	8.443697499232712	0.6478174818886373	Same Family
[P11802, Q00534]	CCC(CC)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCC(C5)O	Q00534	P11802	6.958607314841775	5.0	1.9586073148417746	Same Family
[P11802, Q00534]	CCC(CC)n1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCC(CC5)N(C)C	Q00534	P11802	7.795880017344075	7.769551078621726	0.026328938722349093	Same Family
[P11802, Q00534]	CCCNC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.853871964321762	8.327902142064282	0.4740301777425202	Same Family
[P11802, Q00534]	CCN(CC)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.337242168318426	8.468521082957745	0.13127891463931896	Same Family
[P11802, Q00534]	CCN(CC)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.236572006437063	9.0	0.7634279935629369	Same Family
[P11802, Q00534]	CCN(CCO)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.552841968657781	8.013228265733755	0.4603862970759742	Same Family
[P11802, Q00534]	CCN(CCO)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.958607314841775	8.2839966563652	0.3253893415234259	Same Family
[P11802, Q00534]	CCN1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.193820026016112	7.795880017344075	0.3979400086720375	Same Family
[P11802, Q00534]	CCN1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.568636235841013	7.958607314841775	0.38997107900076156	Same Family
[P11802, Q00534]	CCNC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.508638306165727	8.698970004336019	0.19033169817029183	Same Family
[P11802, Q00534]	CCOC(=O)CN1CCN(CC1)Cc2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.958607314841775	8.275724130399212	0.3171168155574371	Same Family
[P11802, Q00534]	CCOC(=O)CN1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.008773924307505	8.443697499232712	0.4349235749252074	Same Family
[P11802, Q00534]	CCOC(=O)c1ccc(nc1)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	5.0	7.031517051446065	2.031517051446065	Same Family
[P11802, Q00534]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	7.4089353929735005	8.0	0.5910646070264995	Same Family
[P11802, Q00534]	CN(C)C1CC2CCC(C1)N2c3ccc(nc3)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	8.275724130399212	8.267606240177031	0.00811789022218079	Same Family
[P11802, Q00534]	CN(C)C1CCN(C1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.3979400086720375	7.998269733945246	0.6003297252732089	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.795880017344075	7.795880017344075	0.0	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.688246138944246	7.673664139071248	0.014581999872997464	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.920818753952375	7.958607314841775	0.03778856088939975	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)Cl	Q00534	P11802	8.55284196865778	9.0	0.44715803134221943	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)OC	Q00534	P11802	7.481486060122113	7.301029995663981	0.18045606445813167	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.795880017344075	7.6777807052660805	0.11809931207799451	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCNC6	Q00534	P11802	6.468521082957745	6.841637507904751	0.37311642494700603	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)CCCO	Q00534	P11802	6.991399828238082	7.130768280269024	0.13936845203094173	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)CCOC	Q00534	P11802	5.823908740944319	6.42021640338319	0.5963076624388712	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.318758762624412	7.657577319177793	0.338818556553381	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccnc(c5n(c4n3)CC6CC6)F	Q00534	P11802	6.823908740944319	6.853871964321762	0.02996322337744317	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.568636235841013	7.568636235841013	0.0	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.585026652029182	9.0	0.4149733479708182	Same Family
[P11802, Q00534]	CN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6O	Q00534	P11802	6.560667306169737	6.438482735123246	0.12218457104649083	Same Family
[P11802, Q00534]	CN(C)C1CN(CCC1O)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.627717753533857	8.502879435388575	0.8751616818547179	Same Family
[P11802, Q00534]	CN(C)CCCN(C)c1ccc(nn1)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	7.070581074285707	7.455931955649724	0.3853508813640172	Same Family
[P11802, Q00534]	CN(C)CCN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.769551078621726	8.096910013008056	0.32735893438633035	Same Family
[P11802, Q00534]	CN(C)CCNC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.0	8.309803919971486	0.30980391997148615	Same Family
[P11802, Q00534]	CN(CC(=O)O)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.7447274948966935	8.387216143280265	0.642488648383571	Same Family
[P11802, Q00534]	CN(CCO)C1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.431798275933005	7.721246399047171	0.2894481231141661	Same Family
[P11802, Q00534]	CN(CCO)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.853871964321762	8.236572006437063	0.3827000421153013	Same Family
[P11802, Q00534]	CN(CCO)c1ccc(nn1)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	8.161150909262744	8.4089353929735	0.24778448371075612	Same Family
[P11802, Q00534]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	Q00534	P11802	7.096910013008056	7.0	0.09691001300805624	Same Family
[P11802, Q00534]	CN1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	8.096910013008056	7.3979400086720375	0.6989700043360187	Same Family
[P11802, Q00534]	CN1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.0	7.886056647693163	0.11394335230683694	Same Family
[P11802, Q00534]	CN1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccccc5n(c4n3)C6CCCC6	Q00534	P11802	7.657577319177793	7.508638306165727	0.14893901301206647	Same Family
[P11802, Q00534]	CNC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.886056647693163	8.301029995663981	0.4149733479708182	Same Family
[P11802, Q00534]	CNC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.823908740944319	7.6777807052660805	0.14612803567823818	Same Family
[P11802, Q00534]	CNC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.721246399047171	7.886056647693163	0.16481024864599192	Same Family
[P11802, Q00534]	CNC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.958607314841775	8.522878745280337	0.5642714304385628	Same Family
[P11802, Q00534]	CNCCN(C)C1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.795880017344075	8.318758762624412	0.5228787452803374	Same Family
[P11802, Q00534]	COC(=O)CNC1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.468521082957745	7.619788758288394	0.151267675330649	Same Family
[P11802, Q00534]	COC(=O)CNC1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.585026652029182	8.769551078621726	1.184524426592544	Same Family
[P11802, Q00534]	COCCN1CCN(CC1)c2ccc(nc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.309803919971486	8.744727494896694	0.4349235749252074	Same Family
[P11802, Q00534]	COCCN1CCN(CC1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.801342913045578	8.42021640338319	0.6188734903376121	Same Family
[P11802, Q00534]	COCCn1c2cnccc2c3c1nc(nc3)Nc4ccc(cn4)N5CCNCC5	Q00534	P11802	6.102372908709558	6.431798275933005	0.32942536722344684	Same Family
[P11802, Q00534]	COCCn1c2cnccc2c3c1nc(nc3)Nc4ccc(nn4)N5CCNCC5	Q00534	P11802	6.3979400086720375	6.468521082957745	0.07058107428570715	Same Family
[P11802, Q00534]	COc1c2c(ccn1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.657577319177793	7.920818753952375	0.2632414347745815	Same Family
[P11802, Q00534]	COc1cc(ccn1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.42021640338319	7.494850021680094	0.07463361829690385	Same Family
[P11802, Q00534]	COc1cc2c3cnc(nc3n(c2cn1)C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	6.301029995663981	6.6252516539898965	0.3242216583259152	Same Family
[P11802, Q00534]	COc1cc2c3cnc(nc3n(c2nn1)C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	6.2839966563652006	6.85078088734462	0.5667842309794198	Same Family
[P11802, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	Q00534	P11802	7.376750709602099	7.3979400086720375	0.021189299069938272	Same Family
[P11802, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	Q00534	P11802	7.481486060122113	7.4089353929735005	0.07255066714861247	Same Family
[P11802, Q00534]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	Q00534	P11802	7.301029995663981	7.376750709602099	0.07572071393811797	Same Family
[P11802, Q00534]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P11802	7.5376020021010435	7.455931955649724	0.08167004645131914	Same Family
[P11802, Q00534]	COc1ccc(cc1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.6777807052660805	8.0	0.3222192947339195	Same Family
[P11802, Q00534]	COc1ccc(cn1)c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	6.443697499232713	6.632644078973981	0.18894657974126794	Same Family
[P11802, Q00534]	COc1ccc2c3cnc(nc3n(c2n1)C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.795880017344075	6.94692155651658	0.8489584608274949	Same Family
[P11802, Q00534]	Cc1c2c(ccn1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.327902142064283	7.698970004336019	0.3710678622717358	Same Family
[P11802, Q00534]	Cc1cc(cnc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.3767507096021	9.040958607678906	0.6642078980768069	Same Family
[P11802, Q00534]	Cc1cc(cnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCNCC6	Q00534	P11802	6.391473966422806	6.8996294548824375	0.5081554884596313	Same Family
[P11802, Q00534]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	Q00534	P11802	8.10790539730952	8.036212172654444	0.07169322465507477	Same Family
[P11802, Q00534]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	Q00534	P11802	7.366531544420414	7.3979400086720375	0.03140846425162369	Same Family
[P11802, Q00534]	Cn1c(=O)ccc2c1n(c3c2cnc(n3)Nc4ccc(cn4)N5CCC(C5)O)C6CCCC6	Q00534	P11802	6.826813731587726	6.838631997765025	0.011818266177298753	Same Family
[P11802, Q00534]	Cn1c(=O)ccc2c1n(c3c2cnc(n3)Nc4ccc(cn4)N5CCNCC5)C6CCCC6	Q00534	P11802	7.508638306165727	8.065501548756432	0.5568632425907047	Same Family
[P11802, Q00534]	c1cc(cc(c1)n2c3cc(ncc3c4c2cncc4)Nc5ccc(cn5)N6CCNCC6)C(F)(F)F	Q00534	P11802	7.585026652029182	7.823908740944319	0.23888208891513685	Same Family
[P11802, Q00534]	c1cc(ccc1CC(=O)O)n2c3cc(ncc3c4c2cncc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	6.749579997691106	7.455931955649724	0.7063519579586179	Same Family
[P11802, Q00534]	c1cc(ccc1Nc2ncc3c4ccncc4n(c3n2)C5CC6CCC5C6)N7CCNCC7	Q00534	P11802	8.585026652029182	8.309803919971486	0.27522273205769565	Same Family
[P11802, Q00534]	c1cc(ccc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCNCC6	Q00534	P11802	8.537602002101044	9.346787486224656	0.8091854841236117	Same Family
[P11802, Q00534]	c1cc(ccc1n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6)F	Q00534	P11802	7.886056647693163	8.1249387366083	0.23888208891513685	Same Family
[P11802, Q00534]	c1cc(ncc1C(=O)N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.096910013008056	8.853871964321762	0.7569619513137056	Same Family
[P11802, Q00534]	c1cc(ncc1C(=O)O)Nc2ncc3c4ccnc(c4n(c3n2)C5CCCC5)O	Q00534	P11802	6.0655015487564325	6.2839966563652006	0.218495107608768	Same Family
[P11802, Q00534]	c1cc(ncc1C2=CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.154901959985743	8.886056647693163	0.73115468770742	Same Family
[P11802, Q00534]	c1cc(ncc1C2=CCS(=O)(=O)CC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.795880017344075	7.795880017344075	0.0	Same Family
[P11802, Q00534]	c1cc(ncc1C2=CCS(=O)(=O)CC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.657577319177793	8.657577319177793	0.0	Same Family
[P11802, Q00534]	c1cc(ncc1C2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.275724130399212	8.154901959985743	0.12082217041346865	Same Family
[P11802, Q00534]	c1cc(ncc1C2CCS(=O)(=O)CC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.455931955649724	7.3979400086720375	0.05799194697768684	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCC(CC2)O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.086186147616283	8.356547323513812	0.27036117589752884	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCCC(C2)O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.823908740944319	8.0	0.17609125905568135	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCN(CC2)CC(=O)O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.481486060122112	9.0	0.518513939877888	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCNC(=O)C2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.2839966563652006	6.692503962086787	0.5914926942784131	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)O	Q00534	P11802	7.6777807052660805	7.853871964321762	0.17609125905568135	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.481486060122113	7.468521082957745	0.012964977164368285	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCNCC2=O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.568636235841012	8.494850021680094	0.07378621416091846	Same Family
[P11802, Q00534]	c1cc(ncc1CN2CCOCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.585026652029182	8.657577319177793	0.07255066714861158	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(C2)O)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	8.508864383480216	8.710108201691595	0.20124381821137938	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(C2)O)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	7.036212172654444	7.376750709602099	0.3405385369476548	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)CCO)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	8.119186407719209	8.193820026016112	0.07463361829690385	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)CO)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	8.55284196865778	8.537602002101044	0.015239966556736206	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)N)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.0	8.508638306165727	0.5086383061657269	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)N3CC(C3)O)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	7.920818753952375	8.301029995663981	0.38021124171160636	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)N3CCC(C3)O)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	6.455931955649724	6.468521082957745	0.01258912730802031	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)N3CCC(CC3)O)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	7.7447274948966935	7.823908740944319	0.07918124604762511	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NC3CC3)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	7.920818753952375	8.387216143280265	0.46639738932788966	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NC3CCC3)Nc4ncc5c6ccncc6n(c5n4)C7CCCC7	Q00534	P11802	7.721246399047171	8.3767507096021	0.6555043105549281	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NCC(=O)O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.292429823902063	8.698970004336019	0.40654018043395546	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NCC(F)(F)F)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.42021640338319	7.958607314841775	0.5383909114585848	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NCCF)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.6777807052660805	8.142667503568731	0.46488679830265056	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCC(CC2)NCCO)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.292429823902063	8.318758762624412	0.026328938722349093	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.2518119729938	8.795880017344075	0.5440680443502757	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCN(CC2)CCO)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.309803919971486	8.356547323513812	0.04674340354232598	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNC(C2)C(F)(F)F)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.6777807052660805	7.958607314841775	0.28082660957569416	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3cc4c(cn3)c5ccncc5n4C6CCCC6	Q00534	P11802	6.950781977329818	7.468521082957745	0.5177391056279266	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3cc4c(cn3)c5ccncc5n4C6CCCCC6	Q00534	P11802	8.337242168318426	8.356547323513812	0.019305155195386448	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3cc4c(cn3)c5ccncc5n4C6CCSC6	Q00534	P11802	7.769551078621726	8.167491087293763	0.3979400086720375	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3cc4c(cn3)c5ccncc5n4Cc6ccsc6	Q00534	P11802	6.590066876668706	6.903089986991944	0.31302311032323793	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5c(cns5)n(c4n3)C6CCCC6	Q00534	P11802	5.0	5.0	0.0	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5cc(ncc5n(c4n3)C6CCCC6)O	Q00534	P11802	6.661543506395395	6.866461091629782	0.2049175852343872	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccc(nc5n(c4n3)C6CCCC6)O	Q00534	P11802	6.982966660701219	6.847711655616943	0.13525500508427601	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)C#N	Q00534	P11802	7.872895201635193	7.568636235841013	0.30425896579417966	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)Cl	Q00534	P11802	8.366531544420413	8.698970004336019	0.33243845991560583	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	7.769551078621726	8.698970004336019	0.9294189257142929	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)O	Q00534	P11802	7.958607314841775	8.327902142064282	0.3692948272225074	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6(CCCC6)CO	Q00534	P11802	7.6020599913279625	7.958607314841775	0.35654732351381213	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C67CC8CC(C6)CC(C8)C7	Q00534	P11802	8.455931955649724	8.795880017344075	0.33994806169435066	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CC7CCC6C7	Q00534	P11802	8.292429823902063	9.0268721464003	0.7344423224982375	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCC(CC6)O	Q00534	P11802	8.229147988357855	8.602059991327963	0.3729120029701072	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCC6	Q00534	P11802	8.214670164989233	8.337242168318426	0.12257200332919282	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.356547323513812	8.494850021680094	0.1383026981662816	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6O	Q00534	P11802	7.236572006437063	6.919016691817963	0.31755531461910014	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCCC6	Q00534	P11802	7.882728704344236	7.958607314841775	0.07587861049753908	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCCCC6	Q00534	P11802	7.6777807052660805	7.958607314841775	0.28082660957569416	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCOCC6	Q00534	P11802	7.2441251443275085	8.09151498112135	0.8473898367938411	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)CC6CCCCC6	Q00534	P11802	7.517126416391246	7.886056647693163	0.36893023130191693	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccnnc5n(c4n3)C6CCCC6	Q00534	P11802	7.886056647693163	7.443697499232713	0.4423591484604499	Same Family
[P11802, Q00534]	c1cc(ncc1N2CCS(=O)(=O)CC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.136677139879544	8.267606240177031	1.1309291002974868	Same Family
[P11802, Q00534]	c1cc(ncc1NC2CCNC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.659379381312206	8.510681525807762	0.8513021444955555	Same Family
[P11802, Q00534]	c1cc(ncc1NC2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.508638306165727	7.769551078621726	0.260912772455999	Same Family
[P11802, Q00534]	c1cc(ncc1NC2CCS(=O)(=O)C2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.619788758288394	8.017728766960431	0.3979400086720375	Same Family
[P11802, Q00534]	c1cc(ncc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCNCC6	Q00534	P11802	8.886056647693163	8.853871964321762	0.032184683371401235	Same Family
[P11802, Q00534]	c1cc(ncc1S(=O)(=O)N2CCNCC2)Nc3ncc4c5ccnc(c5n(c4n3)C6CCCC6)F	Q00534	P11802	8.4089353929735	7.823908740944319	0.5850266520291818	Same Family
[P11802, Q00534]	c1cc(ncc1S(=O)(=O)N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	8.508638306165727	8.522878745280337	0.014240439114610481	Same Family
[P11802, Q00534]	c1cc(ncc1c2ccc(nn2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6)O	Q00534	P11802	8.187086643357144	8.508638306165727	0.3215516628085826	Same Family
[P11802, Q00534]	c1cc(nnc1C2=CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.221848749616356	8.2518119729938	1.0299632233774432	Same Family
[P11802, Q00534]	c1cc(nnc1NCC2CCNC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.575118363368933	8.602059991327963	1.0269416279590295	Same Family
[P11802, Q00534]	c1cc(nnc1NCC2CNC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	6.402304814074488	6.366531544420414	0.035773269654074014	Same Family
[P11802, Q00534]	c1cc(nnc1NCCCO)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	7.886056647693163	8.853871964321762	0.9678153166285988	Same Family
[P11802, Q00534]	c1cc(nnc1NCCO)Nc2ncc3c4ccncc4n(c3n2)C5CCCC5	Q00534	P11802	7.79317412396815	8.309803919971486	0.5166297960033361	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccnc(c4n(c3n2)C5CCCC5)F)N6CCC(C6)O	Q00534	P11802	7.619788758288394	8.065501548756432	0.445712790468038	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCC5)N6CCNCC6	Q00534	P11802	7.795880017344075	7.267606240177032	0.5282737771670432	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CC7C(C6)C7N	Q00534	P11802	6.995678626217358	7.568636235841013	0.5729576096236553	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(C6)N	Q00534	P11802	7.88135383121627	8.321032576499773	0.43967874528350315	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(C6)O	Q00534	P11802	8.41195437047216	8.596910013008056	0.1849556425358969	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)CN	Q00534	P11802	8.05551732784983	8.397940008672037	0.3424226808222066	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)CO	Q00534	P11802	8.585026652029182	8.2518119729938	0.3332146790353825	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N	Q00534	P11802	8.0	8.795880017344075	0.795880017344075	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CC(C7)O	Q00534	P11802	7.657577319177793	8.0	0.3424226808222066	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CCC(C7)O	Q00534	P11802	7.619788758288394	7.9604093769761874	0.3406206186877938	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CCC(CC7)O	Q00534	P11802	8.045757490560675	8.154901959985743	0.10914446942506828	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CCCC(C7)O	Q00534	P11802	7.6338031200885155	8.020479303839453	0.3866761837509376	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CCCC7	Q00534	P11802	7.522878745280337	7.638272163982407	0.11539341870206954	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)N7CCOCC7	Q00534	P11802	7.585026652029182	8.55284196865778	0.9678153166285988	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NC(CO)CO	Q00534	P11802	8.200659450546418	8.657577319177793	0.4569178686313755	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NCC(=O)O	Q00534	P11802	8.244125144327509	8.698970004336019	0.4548448600085102	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NCC(CO)O	Q00534	P11802	8.119788758288394	8.49148333035061	0.371694572062216	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NCC(F)(F)F	Q00534	P11802	6.42021640338319	6.958607314841775	0.5383909114585848	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NCCCO	Q00534	P11802	7.886056647693163	8.337242168318426	0.4511855206252626	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)NCCO	Q00534	P11802	7.920818753952375	8.3767507096021	0.45593195564972433	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC(CC6)O	Q00534	P11802	7.954677021213342	8.508638306165727	0.5539612849523845	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCC=CC6	Q00534	P11802	7.3979400086720375	7.657577319177793	0.2596373105057559	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCCC(C6)O	Q00534	P11802	8.001306807801344	8.327705628710643	0.32639882090929895	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCCC6	Q00534	P11802	7.7055337738384075	8.356547323513812	0.6510135496754046	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCCCC6	Q00534	P11802	7.318758762624412	8.075720713938118	0.7569619513137056	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCCNCC6	Q00534	P11802	8.167491087293763	8.259637310505756	0.0921462232119925	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCN(CC6)CC(=O)O	Q00534	P11802	8.443697499232712	8.856985199745905	0.41328770051319275	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCNCC6	Q00534	P11802	8.18045606445813	8.823908740944319	0.6434526764861879	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCOCC6	Q00534	P11802	7.614393726401688	8.397940008672037	0.7835462822703496	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)N6CCS(=O)(=O)CC6	Q00534	P11802	8.036212172654444	8.309803919971486	0.2735917473170417	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)NC6CCNC6	Q00534	P11802	7.885902515018325	8.135093746419532	0.24919123140120725	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)NC6CCNCC6	Q00534	P11802	7.906578314837765	7.790484985457369	0.11609332938039607	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)C5CCCC5)NC6CCS(=O)(=O)C6	Q00534	P11802	7.798602875679548	8.508638306165727	0.7100354304861787	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)CCCO)N5CCC(C5)O	Q00534	P11802	6.987162775294828	7.045757490560675	0.05859471526584681	Same Family
[P11802, Q00534]	c1cc(nnc1Nc2ncc3c4ccncc4n(c3n2)CCCO)N5CCNCC5	Q00534	P11802	7.275724130399211	6.835647144215563	0.440076986183648	Same Family
[P11802, Q00534]	c1cc(nnc1c2ccnc(c2)O)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	7.779891911959945	8.031517051446064	0.2516251394861193	Same Family
[P11802, Q00534]	c1cc(nnc1c2ccncc2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	Q00534	P11802	6.995678626217358	7.309803919971486	0.31412529375412834	Same Family
[P11802, Q00534]	c1cc(sc1)Cn2c3cc(ncc3c4c2cncc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	6.882728704344236	7.309803919971486	0.4270752156272506	Same Family
[P11802, Q00534]	c1cc2c(cc1C#N)n(c3c2cnc(n3)Nc4ccc(cn4)N5CCNCC5)C6CCCC6	Q00534	P11802	8.142667503568731	8.568636235841012	0.42596873227228116	Same Family
[P11802, Q00534]	c1cc2c3cnc(nc3n(c2nc1)C4CCCC4)Nc5ccc(cc5)N6CCNCC6	Q00534	P11802	8.356547323513812	9.080921907623926	0.7243745841101141	Same Family
[P11802, Q00534]	c1cc2c3cnc(nc3n(c2nc1)C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.6777807052660805	8.086186147616283	0.4084054423502028	Same Family
[P11802, Q00534]	c1ccc(cc1)n2c3cc(ncc3c4c2cncc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.920818753952375	8.337242168318426	0.4164234143660508	Same Family
[P11802, Q00534]	c1ccc(cc1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cc5)N6CCNCC6	Q00534	P11802	9.443697499232712	9.494850021680094	0.05115252244738144	Same Family
[P11802, Q00534]	c1ccc(cc1)n2c3cnccc3c4c2nc(nc4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.096910013008056	8.657577319177793	0.5606673061697371	Same Family
[P11802, Q00534]	c1ccc2c(c1)CCC2n3c4cnccc4c5c3nc(nc5)Nc6ccc(cn6)N7CCNCC7	Q00534	P11802	7.42021640338319	7.522878745280337	0.10266234189714751	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cc5)N6CCNCC6	Q00534	P11802	8.431798275933005	8.698970004336019	0.26717172840301373	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCC(C6)O	Q00534	P11802	7.261656628527177	7.082027949953076	0.17962867857410103	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.920818753952375	8.366531544420413	0.554287209531962	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCC4)Nc5ccc(nn5)N6CCC(CC6)N	Q00534	P11802	8.096910013008056	7.958607314841775	0.1383026981662816	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCC4)Nc5ccc(nn5)N6CCNCC6	Q00534	P11802	8.05551732784983	7.958607314841775	0.09691001300805624	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCCC4)Nc5ccc(cc5)N6CCNCC6	Q00534	P11802	9.387216143280265	9.0	0.38721614328026455	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.602059991327963	8.886056647693163	0.28399665636520055	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCCCCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	8.508638306165727	8.67778070526608	0.16914239910035356	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCOCC4)Nc5ccc(cc5)N6CCNCC6	Q00534	P11802	9.1249387366083	8.698970004336019	0.42596873227228116	Same Family
[P11802, Q00534]	c1ccc2c(c1)c3cnc(nc3n2C4CCOCC4)Nc5ccc(cn5)N6CCNCC6	Q00534	P11802	7.815308569182402	8.67778070526608	0.8624721360836789	Same Family
[P11802, Q00534]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	Q00534	P11802	7.1487416512809245	7.376750709602099	0.22800905832117468	Same Family
[P11802, Q00534]	c1cnc(c2c1c3cnc(nc3n2C4CCCC4)Nc5nc(cs5)CN6CCC(C6)O)F	Q00534	P11802	7.585026652029182	7.823908740944319	0.23888208891513685	Same Family
[P11802, Q00534]	c1cncc2c1c3cnc(nc3n2C4CCCC4)Nc5cnc(nc5)N6CCNCC6	Q00534	P11802	8.958607314841775	9.886056647693163	0.9274493328513884	Same Family
[P11802, Q00534]	c1cncc2c1c3cnc(nc3n2C4CCCC4)Nc5nc(cs5)C(=O)N6CCNCC6	Q00534	P11802	8.187086643357144	8.602059991327963	0.4149733479708182	Same Family
[P11802, Q00534]	c1cncc2c1c3cnc(nc3n2C4CCCC4)Nc5nc(cs5)CN6CCC(C6)O	Q00534	P11802	7.769551078621726	8.070581074285707	0.30102999566398125	Same Family
[P11802, Q00534]	c1cncc2c1c3cnc(nc3n2C4CCCC4)Nc5nc(cs5)CN6CCNCC6	Q00534	P11802	8.207608310501746	8.443697499232712	0.23608918873096663	Same Family
[P11802, Q00534]	c1cncc2c1c3cnc(nc3n2C4CCCC4)Nc5ncc(s5)C(=O)N6CCNCC6	Q00534	P11802	6.950781977329818	7.180456064458132	0.2296740871283136	Same Family
[O96017, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O96017, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O96017	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O96017, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O96017	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O96017, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O96017	P28482	4.522878745280337	4.522878745280337	0.0	Different Group
[O96017, P28482]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	O96017	P28482	4.871277715661574	5.301029995663981	0.4297522800024076	Different Group
[O96017, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	P28482	5.098541678603888	4.522878745280337	0.5756629333235503	Different Group
[O96017, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	O96017	P28482	4.3872161432802645	4.327902142064283	0.05931400121598163	Different Group
[O96017, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	O96017	P28482	4.886056647693163	4.42021640338319	0.4658402443099732	Different Group
[O96017, P28482]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	O96017	P28482	7.376750709602099	8.133803120088515	0.7570524104864162	Different Group
[O96017, P28482]	c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O	O96017	P28482	6.73754891026957	6.084072788302884	0.653476121966686	Different Group
[O96017, P28482]	c1ccc2c(c1)C3=C(CCNC(=O)C3=N2)c4c([nH]c(n4)N)O	O96017	P28482	8.096910013008056	7.050609993355087	1.0463000196529695	Different Group
[O14757, O96017]	CC(CN(C)C)Oc1c(ncc(n1)Nc2cc3ccccc3cn2)C#N	O96017	O14757	5.2076083105017466	7.292429823902063	2.0848215134003167	Different Family
[O14757, O96017]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O96017	O14757	7.568636235841013	8.540291951309868	0.971655715468855	Different Family
[O14757, O96017]	CCOC(=O)c1cnc2c(c1N3CCOC(C3)CN)cn[nH]2	O96017	O14757	4.301029995663981	6.0	1.6989700043360187	Different Family
[O14757, O96017]	CN(C)CCOc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N	O96017	O14757	4.920818753952375	7.638272163982407	2.717453410030032	Different Family
[O14757, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O96017	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O96017	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O96017	O14757	4.522878745280337	4.522878745280337	0.0	Different Family
[O14757, O96017]	CNC1=NC(=O)C(=C2CCNC(=O)c3c2cc([nH]3)c4ccccc4)N1	O96017	O14757	6.767003889607846	5.183228587666654	1.5837753019411922	Different Family
[O14757, O96017]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	O96017	O14757	4.871277715661574	8.154901959985743	3.2836242443241694	Different Family
[O14757, O96017]	COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4[nH]ccn4	O96017	O14757	4.834192020996214	7.7447274948966935	2.910535473900479	Different Family
[O14757, O96017]	COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4c[nH]c5c4cccn5	O96017	O14757	4.6443760989879745	8.397940008672037	3.753563909684063	Different Family
[O14757, O96017]	COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	O96017	O14757	4.662940273679475	8.154901959985743	3.4919616863062677	Different Family
[O14757, O96017]	COc1ccc(cc1)c2cc3c([nH]2)C(=O)NCCC3=C4C(=O)N=C(N4)N	O96017	O14757	7.853871964321762	6.06198090252379	1.7918910617979718	Different Family
[O14757, O96017]	COc1ccc(cc1OC)c2cc3c([nH]2)C(=O)NCCC3=C4C(=O)N=C(N4)N	O96017	O14757	7.853871964321762	5.808548985535104	2.0453229787866576	Different Family
[O14757, O96017]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	O14757	5.098541678603888	5.863279432843593	0.7647377542397056	Different Family
[O14757, O96017]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	O96017	O14757	4.3872161432802645	4.7447274948966935	0.357511351616429	Different Family
[O14757, O96017]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	O96017	O14757	4.886056647693163	5.7447274948966935	0.8586708472035305	Different Family
[O14757, O96017]	c1c(ncnc1N2CCC(CC2)CN)Nc3cnc(cn3)C#N	O96017	O14757	4.42021640338319	5.823908740944319	1.4036923375611288	Different Family
[O14757, O96017]	c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3	O96017	O14757	5.0655015487564325	6.886056647693163	1.8205550989367305	Different Family
[O14757, O96017]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	O96017	O14757	7.376750709602099	5.709965388637482	1.6667853209646175	Different Family
[O14757, O96017]	c1c2c(cnc1Nc3cnc(c(n3)OCC4CCNCC4)C#N)nc[nH]2	O96017	O14757	4.356547323513813	7.309803919971486	2.953256596457673	Different Family
[O14757, O96017]	c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O	O96017	O14757	6.73754891026957	6.139661993429006	0.5978869168405643	Different Family
[O14757, O96017]	c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOC(C4)CN)C#N	O96017	O14757	4.552841968657781	5.494850021680094	0.9420080530223132	Different Family
[O14757, O96017]	c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOC(C4)CN)CO	O96017	O14757	5.468521082957745	6.366531544420414	0.8980104614626692	Different Family
[O14757, O96017]	c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NCc6ccncc6	O96017	O14757	4.987162775294828	7.886056647693163	2.898893872398335	Different Family
[O14757, O96017]	c1cc2c(cc1C#N)[nH]c3c2c(ncn3)N4CCOC(C4)CN	O96017	O14757	5.0	5.431798275933005	0.431798275933005	Different Family
[O14757, O96017]	c1cc2cc(ncc2c(c1)Cl)Nc3cnc(c(n3)OC4CCCNC4)C#N	O96017	O14757	5.7447274948966935	8.42021640338319	2.6754889084864963	Different Family
[O14757, O96017]	c1cc2cc(ncc2c(c1)Cl)Nc3cnc(c(n3)OCC4CCNCC4)C#N	O96017	O14757	4.769551078621726	7.657577319177793	2.8880262405560675	Different Family
[O14757, O96017]	c1ccc(cc1)CNC2=NC(=O)C(=C3CCNC(=O)c4c3cc([nH]4)c5ccccc5)N2	O96017	O14757	7.552841968657781	6.043351420794797	1.5094905478629839	Different Family
[O14757, O96017]	c1ccc(cc1)c2cc3c([nH]2)C(=O)NCCC3=C4C(=O)N=C(N4)N	O96017	O14757	7.698970004336019	5.882728704344236	1.8162412999917832	Different Family
[O14757, O96017]	c1ccc2c(c1)C3=C(CCNC(=O)C3=N2)c4c([nH]c(n4)N)O	O96017	O14757	8.096910013008056	6.628017898289877	1.4688921147181793	Different Family
[O14757, O96017]	c1ccc2c(c1)c3c([nH]2)ncnc3N4CCOC(C4)CN	O96017	O14757	5.087602452431754	5.552000310314279	0.46439785788252497	Different Family
[O14757, O96017]	c1ccc2cnc(cc2c1)Nc3cnc(c(n3)OCC4CCNCC4)C#N	O96017	O14757	5.180456064458132	7.769551078621726	2.589095014163594	Different Family
[O14757, O96017]	c1cnc(cn1)Nc2cc(ncn2)N3CCC(CC3)CN	O96017	O14757	4.3872161432802645	4.657577319177793	0.27036117589752884	Different Family
[O14757, O96017]	c1cncc2c1c3c([nH]2)ncnc3N4CCC(CC4)CN	O96017	O14757	4.920818753952375	6.537602002101044	1.6167832481486695	Different Family
[O14757, O96017]	c1cncc2c1c3c([nH]2)ncnc3N4CCC(CC4)N	O96017	O14757	4.795880017344075	6.173925197299173	1.3780451799550981	Different Family
[O14757, O96017]	c1cncc2c1c3c([nH]2)ncnc3N4CCOC(C4)CN	O96017	O14757	4.721246399047171	6.055517327849832	1.3342709288026606	Different Family
[O14757, O96017]	c1cncc2c1c3c([nH]2)ncnc3NCCCN	O96017	O14757	4.958607314841775	5.769551078621726	0.8109437637799513	Different Family
[O14757, O96017]	c1cncc2c1c3c([nH]2)ncnc3NCCN	O96017	O14757	4.638272163982407	5.769551078621726	1.131278914639319	Different Family
[O14965, O96017]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	O96017	O14965	6.853871964321762	7.376750709602099	0.5228787452803374	Different Group
[O14965, O96017]	CC(CO)N=C(c1c(nsc1Nc2ccc(cc2)Oc3ccccc3)O)N	O96017	O14965	6.847711655616943	6.585026652029182	0.2626850035877615	Different Group
[O14965, O96017]	CC(CO)NC(=N)c1c(nsc1Nc2ccc(cc2)Nc3ccccc3)O	O96017	O14965	7.886056647693163	6.576754126063192	1.309302521629971	Different Group
[O14965, O96017]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O96017	O14965	7.568636235841013	8.160579629225387	0.5919433933843736	Different Group
[O14965, O96017]	CCc1ccccc1C(C(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)N(C)C	O96017	O14965	6.376750709602099	6.3979400086720375	0.021189299069938272	Different Group
[O14965, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O96017	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O96017	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, O96017]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O96017	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, O96017]	Cc1c2c(n[nH]1)Nc3cc(c(cc3C(=N2)c4ccccc4Cl)F)OC	O96017	O14965	7.619788758288394	7.236572006437063	0.38321675185133053	Different Group
[O14965, O96017]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O96017	O14965	5.098541678603888	5.809668301829708	0.7111266232258204	Different Group
[O14965, O96017]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	O96017	O14965	4.3872161432802645	5.107905397309519	0.7206892540292547	Different Group
[O14965, O96017]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	O96017	O14965	4.886056647693163	5.008773924307505	0.12271727661434184	Different Group
[O14965, O96017]	c1cc(cc(c1)S(=O)(=O)N)c2c3cc(ccc3[nH]n2)NC(=O)C(c4ccsc4)N5CCCC5	O96017	O14965	7.0	6.045757490560675	0.9542425094393252	Different Group
[O14965, O96017]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	O96017	O14965	7.3872161432802645	8.397940008672037	1.010723865391773	Different Group
[O14965, O96017]	c1ccc2c(c1)c3c(ccnc3[nH]c2=O)Nc4ccc(cc4)NC(=O)c5ccc(cc5C(F)(F)F)F	O96017	O14965	6.79317412396815	9.522878745280337	2.7297046213121874	Different Group
[O15530, P23443]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	6.795880017344075	6.455931955649724	0.33994806169435066	Different Family
[O15530, P23443]	CC(c1cc(cc(c1)F)F)Nc2c3cccc(c3ncn2)C(=O)N	O15530	P23443	4.214670164989233	7.3872161432802645	3.1725459782910317	Different Family
[O15530, P23443]	CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)c4cnn(c4)C	O15530	P23443	6.1249387366083	6.050609993355088	0.07432874325321226	Different Family
[O15530, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.0655015487564325	7.221848749616356	3.1563472008599236	Different Family
[O15530, P23443]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O15530	P23443	8.2839966563652	9.0	0.7160033436347994	Different Family
[O15530, P23443]	CCC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)c4cnn(c4)C	O15530	P23443	5.958607314841775	6.42021640338319	0.46160908854141525	Different Family
[O15530, P23443]	CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.113509274827518	7.657577319177793	3.5440680443502757	Different Family
[O15530, P23443]	CCN(CC(C1CC=CC=C1)Nc2ccccc(cncn2)C(=O)N)C(C)C	O15530	P23443	4.022276394711152	7.267606240177032	3.2453298454658794	Different Family
[O15530, P23443]	CN(CC(c1ccccc1)Nc2c3=CCCC(=c3ncn2)C(=O)N)C4CC4	O15530	P23443	4.130768280269024	7.180456064458132	3.049687784189108	Different Family
[O15530, P23443]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	O15530	P23443	4.086186147616283	7.214670164989233	3.1284840173729496	Different Family
[O15530, P23443]	COc1ccc(cc1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	7.2076083105017466	6.040958607678906	1.1666497028228404	Different Family
[O15530, P23443]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.060480747381382	7.0	2.9395192526186182	Different Family
[O15530, P23443]	COc1ccc2cc(ccc2c1)c3cc4c(c(c3)C(=O)N)ncnc4NC5CCCNC5	O15530	P23443	7.008773924307505	6.769551078621726	0.239222845685779	Different Family
[O15530, P23443]	COc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	5.200659450546418	7.010550182333308	1.80989073178689	Different Family
[O15530, P23443]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.013228265733755	7.275724130399211	3.262495864665456	Different Family
[O15530, P23443]	Cn1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	7.026872146400302	6.431798275933005	0.5950738704672967	Different Family
[O15530, P23443]	Cn1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NCc4cccc(c4)F	O15530	P23443	6.096910013008056	6.292429823902063	0.19551981089400705	Different Family
[O15530, P23443]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	O15530	P23443	6.698970004336019	6.055517327849832	0.643452676486187	Different Family
[O15530, P23443]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)c4cnoc4	O15530	P23443	6.214670164989233	6.0	0.21467016498923286	Different Family
[O15530, P23443]	c1cc(c(c(c1)F)F)CNc2c3cccc(c3ncn2)C(=O)N	O15530	P23443	4.060480747381382	7.4089353929735005	3.3484546455921187	Different Family
[O15530, P23443]	c1cc(c(cc1c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4)Cl)Cl	O15530	P23443	6.2839966563652006	6.010995384301463	0.2730012720637376	Different Family
[O15530, P23443]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	6.4089353929735005	5.0	1.4089353929735005	Different Family
[O15530, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	O15530	P23443	4.080921907623926	7.3872161432802645	3.3062942356563383	Different Family
[O15530, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.017728766960432	7.187086643357144	3.1693578763967123	Different Family
[O15530, P23443]	c1cc(ccc1C#N)c2ccc3c(c2)c(ncn3)NC4CCCNC4	O15530	P23443	6.468521082957745	6.0	0.46852108295774464	Different Family
[O15530, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCN4CCOCC4)C(F)(F)F	O15530	P23443	5.455931955649724	6.266802734893431	0.8108707792437064	Different Family
[O15530, P23443]	c1cc(ccc1c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4)C(F)(F)F	O15530	P23443	6.958607314841775	6.0	0.9586073148417746	Different Family
[O15530, P23443]	c1cc(ccc1c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4)OC(F)(F)F	O15530	P23443	7.0	6.275724130399211	0.7242758696007892	Different Family
[O15530, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(c(c(c3)F)F)F	O15530	P23443	3.9913998282380825	7.0	3.0086001717619175	Different Family
[O15530, P23443]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	O15530	P23443	5.318758762624412	7.040958607678906	1.7221998450544937	Different Family
[O15530, P23443]	c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	5.721246399047171	7.262807357295263	1.541560958248092	Different Family
[O15530, P23443]	c1ccc(cc1)C(Cn2ccnc2)Nc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.050609993355088	7.259637310505756	3.2090273171506682	Different Family
[O15530, P23443]	c1ccc(cc1)C=Cc2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	6.102372908709558	6.4089353929735005	0.3065624842639423	Different Family
[O15530, P23443]	c1ccc(cc1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	6.292429823902063	6.045757490560675	0.2466723333413885	Different Family
[O15530, P23443]	c1ccc2c(c1)c(c[nH]2)CCNc3c4cccc(c4ncn3)C(=O)N	O15530	P23443	4.102372908709558	8.356547323513812	4.254174414804254	Different Family
[O15530, P23443]	c1cscc1c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	P23443	7.356547323513813	6.229147988357856	1.1273993351559568	Different Family
[O14965, O15530]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	O14965	6.795880017344075	6.920818753952375	0.1249387366082999	Different Group
[O14965, O15530]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.0655015487564325	9.275724130399212	5.210222581642779	Different Group
[O14965, O15530]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O15530	O14965	8.2839966563652	8.160579629225387	0.12341702713981384	Different Group
[O14965, O15530]	CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.113509274827518	9.494850021680094	5.381340746852576	Different Group
[O14965, O15530]	CCN(CC(C1CC=CC=C1)Nc2ccccc(cncn2)C(=O)N)C(C)C	O15530	O14965	4.022276394711152	7.251811972993799	3.229535578282647	Different Group
[O14965, O15530]	CN(CC(c1ccccc1)Nc2c3=CCCC(=c3ncn2)C(=O)N)C4CC4	O15530	O14965	4.130768280269024	6.823908740944319	2.693140460675295	Different Group
[O14965, O15530]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	O15530	O14965	4.086186147616283	8.468521082957745	4.382334935341461	Different Group
[O14965, O15530]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.060480747381382	9.920818753952375	5.860338006570993	Different Group
[O14965, O15530]	COc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	5.200659450546418	6.142667503568732	0.942008053022314	Different Group
[O14965, O15530]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.013228265733755	8.853871964321762	4.840643698588007	Different Group
[O14965, O15530]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	O15530	O14965	6.698970004336019	6.1938200260161125	0.5051499783199063	Different Group
[O14965, O15530]	c1cc(c(c(c1)F)F)CNc2c3cccc(c3ncn2)C(=O)N	O15530	O14965	4.060480747381382	5.721246399047171	1.6607656516657894	Different Group
[O14965, O15530]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	O15530	O14965	6.4089353929735005	6.130768280269024	0.2781671127044767	Different Group
[O14965, O15530]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	O15530	O14965	4.080921907623926	9.050609993355087	4.9696880857311605	Different Group
[O14965, O15530]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.017728766960432	8.356547323513812	4.33881855655338	Different Group
[O14965, O15530]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O15530	O14965	5.086186147616283	5.508638306165727	0.4224521585494436	Different Group
[O14965, O15530]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCN4CCOCC4)C(F)(F)F	O15530	O14965	5.455931955649724	6.443697499232713	0.9877655435829888	Different Group
[O14965, O15530]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(c(c(c3)F)F)F	O15530	O14965	3.9913998282380825	5.795880017344075	1.8044801891059925	Different Group
[O14965, O15530]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	O15530	O14965	5.318758762624412	6.886056647693163	1.5672978850687507	Different Group
[O14965, O15530]	c1ccc(cc1)C(Cn2ccnc2)Nc3c4cccc(c4ncn3)C(=O)N	O15530	O14965	4.050609993355088	6.522878745280337	2.4722687519252498	Different Group
[P48730, P78368]	CC(C)(C)c1ccc(c(c1)F)Nc2[nH]c3cc(ccc3n2)C#N	P78368	P48730	4.995678626217358	5.661543506395395	0.6658648801780371	Same Family
[P48730, P78368]	CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P78368	P48730	5.82102305270683	5.581698708680254	0.23932434402657599	Same Family
[P48730, P78368]	CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)[N+](=O)[O-]	P78368	P48730	5.6307841425898575	5.540607512240769	0.09017663034908807	Same Family
[P48730, P78368]	CC(C)(C)c1ccc(cc1)Nc2cn3cc(ccc3n2)C#N	P78368	P48730	5.040958607678906	5.498940737782249	0.45798213010334266	Same Family
[P48730, P78368]	CC(C)(C)c1ccc(cc1)Nc2nc3ccc(cc3o2)C#N	P78368	P48730	4.826813731587726	5.6252516539898965	0.7984379224021705	Same Family
[P48730, P78368]	CC(C)(C)c1ccc(cc1)Nc2nc3ccc(cc3s2)C#N	P78368	P48730	5.416801226031377	5.779891911959945	0.36309068592856786	Same Family
[P48730, P78368]	CC(C)(c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N)O	P78368	P48730	6.154901959985743	5.634512015109101	0.5203899448766425	Same Family
[P48730, P78368]	Cc1cc2c(cc1C#N)[nH]c(n2)Nc3ccc(cc3)C(C)(C)C	P78368	P48730	4.886056647693163	5.401209493236885	0.5151528455437218	Same Family
[P48730, P78368]	Cc1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P78368	P48730	5.342944147142896	5.442492798094342	0.09954865095144605	Same Family
[P48730, P78368]	Cn1cc(cn1)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P78368	P48730	5.838631997765025	5.966576244513051	0.12794424674802585	Same Family
[P48730, P78368]	c1cc(c(nc1)F)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P78368	P48730	5.931814138253839	5.787812395596042	0.14400174265779686	Same Family
[P48730, P78368]	c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	P78368	P48730	5.1830961606243395	5.238824186844268	0.05572802621992867	Same Family
[P48730, P78368]	c1ccc(cc1)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P78368	P48730	5.31069114087638	5.661543506395395	0.3508523655190148	Same Family
[P06239, P43405]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	P43405	6.47755576649368	6.13608262304214	0.3414731434515401	Different Family
[P06239, P43405]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P43405	5.958607314841775	4.6020599913279625	1.3565473235138121	Different Family
[P06239, P43405]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P06239	P43405	5.35261702988538	5.643591672961019	0.29097464307563925	Different Family
[P06239, P43405]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P43405	6.212221349969987	5.515700160653214	0.6965211893167726	Different Family
[P06239, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P06239	P43405	9.301029995663981	5.954677021213342	3.346352974450639	Different Family
[P06239, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P06239	P43405	9.698970004336019	6.534617148551582	3.164352855784437	Different Family
[P06239, P43405]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	P43405	9.221848749616356	6.698970004336019	2.5228787452803374	Different Family
[P06239, P43405]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P06239	P43405	8.154901959985743	7.356547323513813	0.7983546364719301	Different Family
[P06239, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P43405	5.2839966563652006	5.102372908709558	0.18162374765564238	Different Family
[P06239, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P43405	5.522878745280337	5.356547323513812	0.16633142176652527	Different Family
[P06239, P43405]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P06239	P43405	7.665546248849069	7.598599459218456	0.06694678963061307	Different Family
[P06239, P43405]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P43405	5.698970004336019	5.3979400086720375	0.30102999566398125	Different Family
[P06239, Q16539]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	P06239	Q16539	4.801727901530653	5.130416292286577	0.32868839075592327	Different Group
[P06239, Q16539]	CCCCCCCCc1ccc(cc1)O	P06239	Q16539	4.656512629761698	4.82344574038671	0.1669331106250116	Different Group
[P06239, Q16539]	CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	P06239	Q16539	9.301029995663981	7.119186407719209	2.1818435879447726	Different Group
[P06239, Q16539]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	Q16539	6.47755576649368	4.919012953089113	1.558542813404567	Different Group
[P06239, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	Q16539	5.958607314841775	5.431798275933005	0.5268090389087696	Different Group
[P06239, Q16539]	COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl	P06239	Q16539	5.301029995663981	6.251811972993799	0.9507819773298181	Different Group
[P06239, Q16539]	Cc1c(c2c(c(c1O)C)CCC(O2)(C)CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)C	P06239	Q16539	4.766065203269315	5.25212229418021	0.48605709091089455	Different Group
[P06239, Q16539]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	P06239	Q16539	4.101461297990865	4.739356293264975	0.6378949952741095	Different Group
[P06239, Q16539]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P06239	Q16539	5.903437561625864	6.1830961606243395	0.2796585989984752	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N(C)CCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	7.853871964321762	7.187086643357144	0.6667853209646175	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q16539	9.698970004336019	8.221848749616356	1.4771212547196626	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	P06239	Q16539	9.221848749616356	6.962573502059376	2.25927524755698	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	P06239	Q16539	8.698970004336019	6.764471553092451	1.9344984512435675	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P06239	Q16539	7.318758762624412	6.774690718274138	0.5440680443502748	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	P06239	Q16539	8.698970004336019	8.397940008672037	0.30102999566398125	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	P06239	Q16539	9.397940008672037	7.508638306165727	1.8893017025063106	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P06239	Q16539	9.301029995663981	8.045757490560675	1.2552725051033065	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P06239	Q16539	9.301029995663981	7.853871964321762	1.4471580313422194	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	P06239	Q16539	8.522878745280337	6.856985199745905	1.6658935455344324	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(cc4)OC5CCN(CC5)C	P06239	Q16539	9.0	7.031517051446065	1.9684829485539348	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q16539	9.522878745280337	8.698970004336019	0.8239087409443187	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	P06239	Q16539	11.0	7.301029995663981	3.6989700043360187	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	P06239	Q16539	9.522878745280337	7.6777807052660805	1.845098040014257	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q16539	8.096910013008056	8.301029995663981	0.20411998265592501	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q16539	9.522878745280337	9.045757490560675	0.4771212547196626	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)Nc4[nH]c5ccc(cc5n4)C(F)(F)F	P06239	Q16539	6.527243550682788	6.557520230935552	0.030276680252764088	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	10.154901959985743	8.698970004336019	1.4559319556497243	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CCN(CC4)C)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	9.221848749616356	8.698970004336019	0.5228787452803374	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	9.397940008672037	7.6020599913279625	1.795880017344075	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	8.221848749616356	8.154901959985743	0.06694678963061307	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	8.221848749616356	8.045757490560675	0.17609125905568135	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P06239	Q16539	9.698970004336019	8.522878745280337	1.1760912590556813	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	8.522878745280337	7.3979400086720375	1.1249387366083	Different Group
[P06239, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	Q16539	9.0	7.2441251443275085	1.7558748556724915	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	Q16539	7.920818753952375	6.494850021680094	1.4259687322722812	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	Q16539	7.886056647693163	5.7447274948966935	2.1413291527964695	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	Q16539	9.0	5.920818753952375	3.079181246047625	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	P06239	Q16539	9.0	6.366531544420414	2.633468455579586	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	Q16539	9.221848749616356	6.275724130399211	2.9461246192171453	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	P06239	Q16539	9.0	6.7447274948966935	2.2552725051033065	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	P06239	Q16539	9.0	5.920818753952375	3.079181246047625	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	P06239	Q16539	9.0	6.0	3.0	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	P06239	Q16539	8.698970004336019	5.167491087293763	3.5314789170422554	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	P06239	Q16539	9.0	5.886056647693163	3.113943352306837	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	P06239	Q16539	9.0	6.356547323513812	2.643452676486188	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	P06239	Q16539	9.0	5.638272163982407	3.361727836017593	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	Q16539	8.698970004336019	5.886056647693163	2.8129133566428557	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	P06239	Q16539	9.0	5.6777807052660805	3.3222192947339195	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	P06239	Q16539	9.0	5.6777807052660805	3.3222192947339195	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	P06239	Q16539	9.0	5.494850021680094	3.5051499783199063	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	P06239	Q16539	9.0	5.522878745280337	3.4771212547196626	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	Q16539	8.0	6.130768280269024	1.8692317197309762	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	Q16539	7.309803919971486	5.096910013008056	2.21289390696343	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	Q16539	7.853871964321762	6.795880017344075	1.0579919469776868	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	Q16539	9.0	6.376750709602099	2.623249290397901	Different Group
[P06239, Q16539]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	P06239	Q16539	9.0	6.698970004336019	2.3010299956639813	Different Group
[P06239, Q16539]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	P06239	Q16539	7.026872146400302	5.408601448718751	1.6182706976815506	Different Group
[P06239, Q16539]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P06239	Q16539	5.613947151059611	7.057495893831919	1.4435487427723084	Different Group
[P06239, Q16539]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	P06239	Q16539	7.102372908709558	6.425968732272281	0.676404176437277	Different Group
[P06239, Q16539]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P06239	Q16539	5.64685345378602	6.497572880015567	0.8507194262295465	Different Group
[P06239, Q16539]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P06239	Q16539	5.494850021680094	5.769551078621726	0.27470105694163216	Different Group
[P06239, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	Q16539	6.161150909262744	5.318758762624412	0.842392146638332	Different Group
[P06239, Q16539]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P06239	Q16539	5.299729062643563	6.145693958198919	0.8459648955553556	Different Group
[P06239, Q16539]	c1cc2c(cc(c(c2nc1)O)I)I	P06239	Q16539	5.608888386297197	6.438898616350944	0.8300102300537464	Different Group
[P06239, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	Q16539	8.481486060122112	7.958607314841775	0.5228787452803374	Different Group
[P06239, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P49841	6.214670164989233	4.522878745280337	1.6917914197088955	Different Group
[P06239, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	P49841	5.866461091629782	4.522878745280337	1.3435823463494447	Different Group
[P06239, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	P49841	4.823330067331851	4.522878745280337	0.30045132205151326	Different Group
[P06239, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	P49841	5.434152181326482	4.522878745280337	0.9112734360461445	Different Group
[P06239, P49841]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P06239	P49841	5.35261702988538	5.147886139150239	0.20473089073514128	Different Group
[P06239, P49841]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06239	P49841	5.619788758288394	4.443697499232712	1.1760912590556813	Different Group
[P06239, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P49841	6.657577319177793	5.111259039317107	1.546318279860686	Different Group
[P06239, P49841]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P06239	P49841	8.154901959985743	7.468521082957745	0.6863808770279984	Different Group
[P06239, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	P49841	3.9469215565165805	3.8601209135987635	0.08680064291781697	Different Group
[P06239, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P49841	4.698970004336019	4.259637310505756	0.43933269383026285	Different Group
[P06239, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	P49841	6.161150909262744	5.7447274948966935	0.4164234143660508	Different Group
[P06239, P49841]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P49841	8.481486060122112	7.886056647693163	0.595429412428949	Different Group
[P06239, P12931]	CC(=O)N1CCC(CC1)N2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06239	P12931	7.130768280269024	4.7657358756212105	2.3650324046478133	Same Family
[P06239, P12931]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06239	P12931	6.96479633912994	5.043351420794797	1.9214449183351432	Same Family
[P06239, P12931]	CC(=O)NC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSC1(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)Cc2ccccc2)CO)Cc3ccc4ccccc4c3	P06239	P12931	4.301029995663981	5.736830361305078	1.4358003656410965	Same Family
[P06239, P12931]	CC(=O)Nc1cc(ccn1)Oc2ccc3c(c2)nc(n3C)Nc4cccc(c4)C(C)(C)C	P06239	P12931	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[P06239, P12931]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P06239	P12931	6.657577319177793	6.823908740944319	0.16633142176652527	Same Family
[P06239, P12931]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P06239	P12931	7.508638306165727	6.939302159646388	0.5693361465193387	Same Family
[P06239, P12931]	CC(C)(Cc1ccccc1)C(=O)Nc2ccc(cc2OC)c3c4c(ncnc4n(n3)C5CCC(CC5)N6CCN(CC6)C)N	P06239	P12931	7.036212172654444	6.337242168318426	0.6989700043360187	Same Family
[P06239, P12931]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P06239	P12931	7.102372908709558	6.173925197299173	0.9284477114103851	Same Family
[P06239, P12931]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P06239	P12931	7.979303657420887	7.318758762624412	0.6605448947964749	Same Family
[P06239, P12931]	CC(c1ccc2ccccc2c1)C3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSC(C(C(=O)N3)NC(=O)C(Cc4ccc(cc4)O)N)(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)Cc5ccccc5)CO	P06239	P12931	3.523502037757086	5.776559559485514	2.2530575217284277	Same Family
[P06239, P12931]	CC1(C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)Cc2ccccc2)CO)Cc3cc(c(c(c3)I)O)I)NC(=O)C(Cc4ccc(cc4)O)N)C	P06239	P12931	4.958607314841775	6.267606240177032	1.3089989253352572	Same Family
[P06239, P12931]	CC1(C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)Cc2ccccc2)CO)Cc3ccc(c(c3)I)O)NC(=O)C(Cc4ccc(cc4)O)N)C	P06239	P12931	4.958607314841775	6.886056647693163	1.9274493328513884	Same Family
[P06239, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4cc(ccc4C)c5cccc6c5cn[nH]6	P06239	P12931	6.578396073130169	7.337242168318426	0.7588460951882565	Same Family
[P06239, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P06239	P12931	6.209714835966758	6.958607314841775	0.7488924788750166	Same Family
[P06239, P12931]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P06239	P12931	6.30715308072277	7.1487416512809245	0.8415885705581543	Same Family
[P06239, P12931]	CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	P06239	P12931	8.522878745280337	6.790484985457369	1.7323937598229682	Same Family
[P06239, P12931]	CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N4CCC(=O)N4C(=C3)c5c(cccc5Cl)Cl	P06239	P12931	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[P06239, P12931]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P06239	P12931	7.2839966563652006	6.42021640338319	0.8637802529820107	Same Family
[P06239, P12931]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C5CCN(CC5)C)N	P06239	P12931	6.920818753952375	5.251811972993799	1.6690067809585756	Same Family
[P06239, P12931]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06239	P12931	6.900008766455316	7.400007822415902	0.49999905596058625	Same Family
[P06239, P12931]	CN(C)c1ccc(cc1)Nc2ncc3c(n2)N4CCC(=O)N4C(=C3)c5cc(ccc5Cl)O	P06239	P12931	8.0	6.5638373529592435	1.4361626470407565	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)Cc5ccc(c(c5)OC)NC(=O)C6CC6c7ccccc7)c(ncn4)N	P06239	P12931	7.721246399047171	7.568636235841013	0.15261016320615806	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)CCc6ccccc6)c(ncn4)N	P06239	P12931	7.552841968657781	6.809668301829708	0.7431736668280724	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P06239	P12931	6.679853713888946	6.508638306165727	0.17121540772321886	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P06239	P12931	8.34948500216801	7.894573317342553	0.45491168482545596	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7[nH]6)c(ncn4)N	P06239	P12931	7.698970004336019	7.251811972993799	0.44715803134221943	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7o6)c(ncn4)N	P06239	P12931	7.809894379144197	7.305328344373962	0.5045660347702352	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6ccccc6)c(ncn4)N	P06239	P12931	7.031517051446065	6.723538195826756	0.30797885561930904	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccccc6)c(ncn4)N	P06239	P12931	7.259637310505756	7.167491087293763	0.0921462232119925	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccco6)c(ncn4)N	P06239	P12931	7.1938200260161125	7.013228265733755	0.18059176028235768	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)Nc6ccccc6)c(ncn4)N	P06239	P12931	6.777283528852417	6.334419008982047	0.44286451987037	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)c6ccccc6)c(ncn4)N	P06239	P12931	5.505845405981558	5.496209316942819	0.009636089038738582	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)C(=O)c6ccccc6)c(ncn4)N	P06239	P12931	6.958607314841775	6.369572124974976	0.5890351898667987	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P06239	P12931	7.301029995663981	6.279014255846261	1.0220157398177205	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P06239	P12931	7.3979400086720375	7.187086643357144	0.21085336531489318	Same Family
[P06239, P12931]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P06239	P12931	7.3979400086720375	7.455931955649724	0.05799194697768684	Same Family
[P06239, P12931]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P06239	P12931	7.795880017344075	6.806875401645539	0.9890046156985361	Same Family
[P06239, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	P12931	6.47755576649368	5.363512103646634	1.1140436628470454	Same Family
[P06239, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P06239	P12931	6.866461091629782	6.3585258894959	0.5079352021338819	Same Family
[P06239, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N5CCC(=O)N5C(=C4)c6cc(ccc6Cl)O	P06239	P12931	7.327902142064283	6.11690664142431	1.2109955006399726	Same Family
[P06239, P12931]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P06239	P12931	5.943095148663527	6.142667503568732	0.19957235490520464	Same Family
[P06239, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P12931	5.958607314841775	5.2403321553103694	0.7182751595314052	Same Family
[P06239, P12931]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P06239	P12931	7.0	6.732828271596986	0.26717172840301373	Same Family
[P06239, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P12931	6.212221349969987	5.771086594005312	0.4411347559646748	Same Family
[P06239, P12931]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P06239	P12931	6.3851027839668655	7.173925197299173	0.7888224133323076	Same Family
[P06239, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	P12931	3.3010299956639813	4.301029995663981	1.0	Same Family
[P06239, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06239	P12931	7.161150909262744	7.3979400086720375	0.23678909940929316	Same Family
[P06239, P12931]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P06239	P12931	9.301029995663981	7.769551078621726	1.5314789170422554	Same Family
[P06239, P12931]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P06239	P12931	9.698970004336019	8.698970004336019	1.0	Same Family
[P06239, P12931]	Cc1ccc(cc1c2cn3c4c(=O)[nH]c(=O)n(c4nc3n2c5ccccc5OC)C)O	P06239	P12931	8.886056647693163	8.943095148663527	0.057038500970364225	Same Family
[P06239, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06239	P12931	9.397940008672037	9.41195437047216	0.014014361800121833	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P12931	7.920818753952375	8.522878745280337	0.6020599913279625	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P12931	7.886056647693163	7.008773924307505	0.8772827233856582	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P12931	9.0	7.886056647693163	1.113943352306837	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	P06239	P12931	9.0	9.0	0.0	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	P12931	9.221848749616356	9.0	0.22184874961635614	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	P06239	P12931	9.0	9.0	0.0	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	P06239	P12931	9.0	8.698970004336019	0.30102999566398125	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	P06239	P12931	9.0	8.698970004336019	0.30102999566398125	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	P06239	P12931	8.698970004336019	7.920818753952375	0.7781512503836439	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	P06239	P12931	9.0	8.301029995663981	0.6989700043360187	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	P06239	P12931	9.0	8.698970004336019	0.30102999566398125	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	P06239	P12931	9.0	8.698970004336019	0.30102999566398125	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P12931	8.698970004336019	8.221848749616356	0.4771212547196626	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	P06239	P12931	9.0	8.397940008672037	0.6020599913279625	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	P06239	P12931	9.0	8.397940008672037	0.6020599913279625	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	P06239	P12931	9.0	8.154901959985743	0.8450980400142569	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	P06239	P12931	9.0	8.221848749616356	0.7781512503836439	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P12931	8.0	7.853871964321762	0.14612803567823818	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P12931	7.309803919971486	6.301029995663981	1.008773924307505	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P12931	7.853871964321762	8.0	0.14612803567823818	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P12931	9.0	8.397940008672037	0.6020599913279625	Same Family
[P06239, P12931]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	P06239	P12931	9.0	9.0	0.0	Same Family
[P06239, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06239	P12931	7.886056647693163	8.174360993000928	0.2883043453077647	Same Family
[P06239, P12931]	Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	P06239	P12931	7.431798275933005	7.154901959985743	0.27689631594726194	Same Family
[P06239, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	P12931	3.9469215565165805	3.8239087409443187	0.12301281557226185	Same Family
[P06239, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P12931	4.698970004336019	4.7447274948966935	0.045757490560674796	Same Family
[P06239, P12931]	c1cc(c(c(c1)Cl)C2=Cc3cnc(nc3N4N2C(=O)CC4)Nc5ccc(cc5)N6CCOCC6)Cl	P06239	P12931	8.522878745280337	6.982966660701219	1.539912084579118	Same Family
[P06239, P12931]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P06239	P12931	8.154901959985743	7.187086643357144	0.9678153166285988	Same Family
[P06239, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P12931	5.2839966563652006	5.337242168318426	0.05324551195322513	Same Family
[P06239, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P12931	5.522878745280337	5.6020599913279625	0.07918124604762511	Same Family
[P06239, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P12931	8.481486060122112	8.102372908709558	0.37911315141255386	Same Family
[P06239, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P12931	5.698970004336019	5.337242168318426	0.36172783601759306	Same Family
[P06239, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	P12931	5.251811972993799	5.3979400086720375	0.14612803567823818	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P06239	P12931	6.249607413541272	7.3979400086720375	1.148332595130766	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCNC5	P06239	P12931	6.619788758288394	5.627087997029894	0.9927007612584999	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCNCC5	P06239	P12931	6.769551078621726	5.749579997691106	1.0199710809306195	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOC5	P06239	P12931	7.376750709602099	6.494850021680094	0.8819006879220055	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5	P06239	P12931	6.920818753952375	5.950781977329818	0.9700367766225568	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CNOC5	P06239	P12931	7.337242168318426	6.4089353929735005	0.9283067753449252	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)CCN	P06239	P12931	6.050609993355088	4.490259984429618	1.5603500089254698	Same Family
[P06239, P12931]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)CCO	P06239	P12931	6.886056647693163	5.8326826652518236	1.0533739824413395	Same Family
[P06239, P35968]	CC(=O)N1CCc2c(c(c([nH]2)C=C3c4cc(ccc4NC3=O)OC)Cl)C1	P06239	P35968	5.958607314841775	7.060480747381382	1.1018734325396071	Different Family
[P06239, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P06239	P35968	6.920818753952375	7.698970004336019	0.7781512503836439	Different Family
[P06239, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P06239	P35968	6.443697499232713	6.494850021680094	0.051152522447380555	Different Family
[P06239, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P06239	P35968	5.218244625347531	6.6777807052660805	1.459536079918549	Different Family
[P06239, P35968]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)[N+](=O)[O-])C1	P06239	P35968	6.0	7.221848749616356	1.2218487496163561	Different Family
[P06239, P35968]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P06239	P35968	6.481486060122113	8.154901959985743	1.6734158998636302	Different Family
[P06239, P35968]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P06239	P35968	6.657577319177793	5.5718652059712115	1.085712113206582	Different Family
[P06239, P35968]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P06239	P35968	7.508638306165727	4.460923901207224	3.047714404958503	Different Family
[P06239, P35968]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P06239	P35968	5.958607314841775	6.045757490560675	0.08715017571890016	Different Family
[P06239, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P06239	P35968	5.327902142064283	6.9026041211390385	1.5747019790747556	Different Family
[P06239, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(F)(F)S(=O)(=O)C	P06239	P35968	5.107905397309519	6.8262374200006555	1.7183320226911363	Different Family
[P06239, P35968]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P06239	P35968	7.979303657420887	6.366531544420414	1.6127721130004735	Different Family
[P06239, P35968]	CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	P06239	P35968	9.301029995663981	6.51427857351842	2.786751422145561	Different Family
[P06239, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P35968	6.496981022501341	6.039338878208089	0.4576421442932519	Different Family
[P06239, P35968]	CN(C)C1CCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P35968	5.837653043069112	5.786744369317713	0.05090867375139929	Different Family
[P06239, P35968]	CN(C)C1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P35968	6.823908740944319	6.769551078621726	0.05435766232259276	Different Family
[P06239, P35968]	CN(C)CCCN(C)c1ccc(cc1NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P06239	P35968	7.6777807052660805	7.958607314841775	0.28082660957569416	Different Family
[P06239, P35968]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P06239	P35968	8.154901959985743	8.522878745280337	0.3679767852945943	Different Family
[P06239, P35968]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P06239	P35968	7.301029995663981	8.221848749616356	0.9208187539523749	Different Family
[P06239, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P06239	P35968	6.679853713888946	6.580044251510242	0.0998094623787038	Different Family
[P06239, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P06239	P35968	8.34948500216801	4.467247488450805	3.8822375137172047	Different Family
[P06239, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P06239	P35968	7.301029995663981	6.361510743045363	0.9395192526186182	Different Family
[P06239, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P06239	P35968	7.3979400086720375	5.419075024324381	1.9788649843476565	Different Family
[P06239, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P06239	P35968	7.3979400086720375	5.274088367704952	2.123851640967086	Different Family
[P06239, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P06239	P35968	7.795880017344075	7.989405350465031	0.19352533312095588	Different Family
[P06239, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P06239	P35968	6.809668301829708	6.364516253185088	0.4451520486446201	Different Family
[P06239, P35968]	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P35968	6.6777807052660805	5.958607314841775	0.7191733904243058	Different Family
[P06239, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P06239	P35968	8.655607726314889	7.403512866263456	1.2520948600514332	Different Family
[P06239, P35968]	CNC1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P35968	6.2076083105017466	5.995678626217358	0.21192968428438874	Different Family
[P06239, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P35968	5.958607314841775	5.107905397309519	0.8507019175322554	Different Family
[P06239, P35968]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P06239	P35968	4.931814138253839	8.048455006504028	3.1166408682501894	Different Family
[P06239, P35968]	COc1cc2c(cc1OC)ncnc2Nc3ccccc3	P06239	P35968	5.0	5.154901959985743	0.15490195998574308	Different Family
[P06239, P35968]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P06239	P35968	5.1938200260161125	5.379343520180379	0.18552349416426672	Different Family
[P06239, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P06239	P35968	6.853871964321762	8.096910013008056	1.2430380486862944	Different Family
[P06239, P35968]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P06239	P35968	6.920818753952375	8.301029995663981	1.3802112417116064	Different Family
[P06239, P35968]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P06239	P35968	5.346787486224656	7.263621775341393	1.9168342891167374	Different Family
[P06239, P35968]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P06239	P35968	6.4089353929735005	7.795880017344075	1.3869446243705745	Different Family
[P06239, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P35968	6.212221349969987	5.375717904164332	0.836503445805655	Different Family
[P06239, P35968]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P06239	P35968	6.467245621007502	5.853871964321762	0.6133736566857406	Different Family
[P06239, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	P35968	3.3010299956639813	8.349680610785484	5.0486506151215025	Different Family
[P06239, P35968]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P06239	P35968	6.711541522017397	5.795880017344075	0.9156615046733219	Different Family
[P06239, P35968]	Cc1ccc(cc1C#Cc2cc3ccccc3nc2)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	P35968	9.0	9.0	0.0	Different Family
[P06239, P35968]	Cc1ccc(cc1C#Cc2ccc(nc2)C(=O)NC)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	P35968	6.812479279163537	6.772113295386326	0.040365983777211234	Different Family
[P06239, P35968]	Cc1ccc(cc1C#Cc2ccc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	P35968	9.0	9.0	0.0	Different Family
[P06239, P35968]	Cc1ccc(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	P35968	9.0	8.698970004336019	0.30102999566398125	Different Family
[P06239, P35968]	Cc1ccc(cc1C#Cc2cnc3ccccc3n2)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	P35968	8.397940008672037	8.397940008672037	0.0	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N(C)CCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	7.853871964321762	6.534617148551582	1.3192548157701802	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	P35968	9.698970004336019	8.698970004336019	1.0	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	P06239	P35968	9.221848749616356	7.823908740944319	1.3979400086720375	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	P06239	P35968	8.698970004336019	6.443697499232713	2.2552725051033056	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P06239	P35968	7.318758762624412	5.849243560139691	1.4695152024847218	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	P06239	P35968	8.698970004336019	6.336299074610352	2.3626709297256667	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	P06239	P35968	9.397940008672037	7.327902142064283	2.0700378666077546	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P06239	P35968	9.301029995663981	7.769551078621726	1.5314789170422554	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	P06239	P35968	9.301029995663981	8.522878745280337	0.7781512503836439	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	P06239	P35968	8.522878745280337	7.6777807052660805	0.8450980400142569	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(cc4)OC5CCN(CC5)C	P06239	P35968	9.0	8.096910013008056	0.9030899869919438	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	P35968	9.522878745280337	9.0	0.5228787452803374	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	P06239	P35968	11.0	8.096910013008056	2.9030899869919438	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	P06239	P35968	9.522878745280337	7.318758762624412	2.204119982655925	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	P06239	P35968	8.096910013008056	7.2839966563652006	0.8129133566428557	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	P06239	P35968	9.522878745280337	8.301029995663981	1.2218487496163561	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)Nc4[nH]c5ccc(cc5n4)C(F)(F)F	P06239	P35968	6.527243550682788	5.842241113953136	0.6850024367296514	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	10.154901959985743	8.221848749616356	1.933053210369387	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CCN(CC4)C)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	9.221848749616356	6.987162775294828	2.234685974321528	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	9.397940008672037	8.154901959985743	1.2430380486862944	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	8.221848749616356	6.609064892896621	1.6127838567197355	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	8.221848749616356	6.761953896871205	1.4598948527451512	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P06239	P35968	9.698970004336019	9.0	0.6989700043360187	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	8.522878745280337	7.823908740944319	0.6989700043360187	Different Family
[P06239, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	P06239	P35968	9.0	8.397940008672037	0.6020599913279625	Different Family
[P06239, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P06239	P35968	4.698970004336019	8.761439372640169	4.06246936830415	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P35968	7.920818753952375	6.376750709602099	1.5440680443502757	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P35968	7.886056647693163	6.229147988357856	1.6569086593353068	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P35968	9.0	5.318758762624412	3.6812412373755876	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	P06239	P35968	9.0	6.769551078621726	2.230448921378274	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	P35968	9.221848749616356	6.853871964321762	2.3679767852945943	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	P06239	P35968	9.0	6.638272163982407	2.361727836017593	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	P06239	P35968	9.0	6.769551078621726	2.230448921378274	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	P06239	P35968	9.0	6.585026652029182	2.414973347970818	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	P06239	P35968	8.698970004336019	6.2076083105017466	2.491361693834272	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	P06239	P35968	9.0	6.229147988357856	2.770852011642144	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	P06239	P35968	9.0	6.853871964321762	2.146128035678238	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	P06239	P35968	9.0	6.6777807052660805	2.3222192947339195	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P35968	8.698970004336019	6.1938200260161125	2.5051499783199063	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	P06239	P35968	9.0	6.638272163982407	2.361727836017593	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	P06239	P35968	9.0	6.657577319177793	2.3424226808222066	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	P06239	P35968	9.0	6.455931955649724	2.5440680443502757	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	P06239	P35968	9.0	6.2441251443275085	2.7558748556724915	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P35968	8.0	6.886056647693163	1.113943352306837	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P06239	P35968	7.309803919971486	5.721246399047171	1.588557520924315	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P35968	7.853871964321762	6.721246399047171	1.1326255652745907	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P06239	P35968	9.0	6.721246399047171	2.278753600952829	Different Family
[P06239, P35968]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	P06239	P35968	9.0	6.698970004336019	2.3010299956639813	Different Family
[P06239, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06239	P35968	7.886056647693163	6.255707016877324	1.6303496308158394	Different Family
[P06239, P35968]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	P06239	P35968	7.026872146400302	5.303993284781455	1.722878861618847	Different Family
[P06239, P35968]	Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P06239	P35968	6.301029995663981	7.4051145218265635	1.1040845261625822	Different Family
[P06239, P35968]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P06239	P35968	8.154901959985743	8.051220962623397	0.10368099736234626	Different Family
[P06239, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P06239	P35968	8.154901959985743	5.6020599913279625	2.5528419686577806	Different Family
[P06239, P35968]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCC(C4)N)C(F)(F)F)F	P06239	P35968	5.8297382846050425	6.096910013008056	0.26717172840301373	Different Family
[P06239, P35968]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F)F	P06239	P35968	6.431798275933005	6.318758762624412	0.11303951330859263	Different Family
[P06239, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P35968	5.2839966563652006	5.301029995663981	0.017033339298780703	Different Family
[P06239, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P35968	5.522878745280337	6.0	0.4771212547196626	Different Family
[P06239, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P06239	P35968	6.247183568811729	5.928117992693875	0.319065576117854	Different Family
[P06239, P35968]	c1cc(cc(c1)NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P06239	P35968	7.187086643357144	8.221848749616356	1.0347621062592118	Different Family
[P06239, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	P35968	6.161150909262744	6.356547323513812	0.1953964142510678	Different Family
[P06239, P35968]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	P35968	5.050609993355088	5.180456064458132	0.12984607110304403	Different Family
[P06239, P35968]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P06239	P35968	7.665546248849069	8.337242168318426	0.6716959194693564	Different Family
[P06239, P35968]	c1cc2c(cc1C(F)(F)F)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P06239	P35968	6.7447274948966935	7.080921907623926	0.3361944127272327	Different Family
[P06239, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P35968	8.481486060122112	8.113509274827518	0.3679767852945943	Different Family
[P06239, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P35968	5.698970004336019	5.3872161432802645	0.3117538610557542	Different Family
[P06239, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	P35968	5.251811972993799	5.1487416512809245	0.10307032171287478	Different Family
[P06239, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P06239	P35968	6.249607413541272	6.0	0.24960741354127158	Different Family
[P06239, P35968]	c1ccc(cc1)Oc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CCCC5	P06239	P35968	6.23426957032267	5.1487416512809245	1.0855279190417457	Different Family
[P04629, P06239]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P04629	6.496981022501341	7.7447274948966935	1.2477464723953524	Different Family
[P04629, P06239]	CN(C)CC(=O)N1CCC(CC1)c2ccc(c(c2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	P06239	P04629	5.4089353929735005	6.823908740944319	1.4149733479708182	Different Family
[P04629, P06239]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	P04629	6.47755576649368	7.070581074285707	0.5930253077920273	Different Family
[P04629, P06239]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P06239	P04629	6.809668301829708	7.522878745280337	0.7132104434506292	Different Family
[P04629, P06239]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P04629	5.958607314841775	5.080921907623926	0.8776854072178484	Different Family
[P04629, P06239]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P06239	P04629	5.1938200260161125	5.896196279044043	0.7023762530279303	Different Family
[P04629, P06239]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P04629	6.212221349969987	5.56431486205837	0.6479064879116168	Different Family
[P04629, P06239]	Cc1cc(n[nH]1)Nc2c(cc(c(n2)NC(C)c3ccc(cn3)F)C#N)F	P06239	P04629	6.667561540084395	8.522878745280337	1.8553172051959423	Different Family
[P04629, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P04629	5.2839966563652006	8.306939584650792	3.022942928285591	Different Family
[P04629, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P04629	5.522878745280337	9.0	3.4771212547196626	Different Family
[P04629, P06239]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P06239	P04629	6.247183568811729	5.728158393463501	0.5190251753482276	Different Family
[P04629, P06239]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P04629	5.698970004336019	6.070581074285707	0.3716110699496884	Different Family
[O60674, P06239]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	O60674	6.496981022501341	6.259637310505756	0.23734371199558524	Different Family
[O60674, P06239]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P06239	O60674	6.244887733604929	5.991399828238082	0.25348790536684707	Different Family
[O60674, P06239]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P06239	O60674	7.0915149811213505	7.301029995663981	0.20951501454263077	Different Family
[O60674, P06239]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P06239	O60674	6.866461091629782	8.221848749616356	1.355387657986574	Different Family
[O60674, P06239]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P06239	O60674	8.655607726314889	9.259637310505756	0.6040295841908669	Different Family
[O60674, P06239]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P06239	O60674	5.35261702988538	6.860120913598763	1.5075038837133832	Different Family
[O60674, P06239]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P06239	O60674	6.966576244513051	6.673664139071248	0.29291210544180224	Different Family
[O60674, P06239]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	O60674	6.212221349969987	5.940108206919151	0.2721131430508361	Different Family
[O60674, P06239]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	O60674	9.221848749616356	6.619788758288394	2.6020599913279625	Different Family
[O60674, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	O60674	5.2839966563652006	5.251811972993799	0.032184683371401235	Different Family
[O60674, P06239]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	O60674	5.522878745280337	5.568636235841013	0.045757490560675684	Different Family
[O60674, P06239]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	O60674	6.161150909262744	5.958607314841775	0.2025435944209697	Different Family
[O60674, P06239]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P06239	O60674	6.522878745280337	5.756961951313706	0.7659167939666318	Different Family
[O60674, P06239]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCC(CC4)N)C(=O)N)Cl	P06239	O60674	6.0	4.886056647693163	1.113943352306837	Different Family
[O60674, P06239]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	O60674	5.698970004336019	5.327902142064283	0.3710678622717358	Different Family
[P06239, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P06239	P11362	5.327902142064283	7.337242168318426	2.0093400262541428	Different Family
[P06239, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCCCS(=O)(=O)C	P06239	P11362	5.292429823902063	7.236572006437063	1.9441421825349998	Different Family
[P06239, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(F)(F)S(=O)(=O)C	P06239	P11362	5.107905397309519	6.657577319177793	1.5496719218682742	Different Family
[P06239, P11362]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(F)F	P06239	P11362	4.7447274948966935	7.0	2.2552725051033065	Different Family
[P06239, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P11362	6.214670164989233	4.522878745280337	1.6917914197088955	Different Family
[P06239, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	P11362	5.866461091629782	4.90274269030658	0.9637184013232023	Different Family
[P06239, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	P11362	4.823330067331851	4.522878745280337	0.30045132205151326	Different Family
[P06239, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	P11362	5.434152181326482	4.522878745280337	0.9112734360461445	Different Family
[P06239, P11362]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P06239	P11362	7.795880017344075	7.2677386874207635	0.5281413299233115	Different Family
[P06239, P11362]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P06239	P11362	6.809668301829708	7.327902142064283	0.5182338402345747	Different Family
[P06239, P11362]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P06239	P11362	6.866461091629782	6.795880017344075	0.07058107428570715	Different Family
[P06239, P11362]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P06239	P11362	8.655607726314889	8.096910013008056	0.5586977133068327	Different Family
[P06239, P11362]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P06239	P11362	7.0	4.33913452199613	2.6608654780038696	Different Family
[P06239, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P11362	6.657577319177793	5.767003889607846	0.8905734295699475	Different Family
[P06239, P11362]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06239	P11362	9.397940008672037	6.055517327849832	3.3424226808222057	Different Family
[P06239, P11362]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	P11362	9.221848749616356	6.958607314841775	2.2632414347745815	Different Family
[P06239, P11362]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06239	P11362	7.886056647693163	6.017728766960432	1.868327880732731	Different Family
[P06239, P11362]	Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P06239	P11362	6.301029995663981	7.721246399047171	1.4202164033831899	Different Family
[P06239, P11362]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P06239	P11362	8.154901959985743	4.431798275933005	3.723103684052738	Different Family
[P06239, P11362]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P11362	8.481486060122112	7.920818753952375	0.5606673061697371	Different Family
[P06239, P11362]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	P11362	5.251811972993799	5.366531544420414	0.11471957142661449	Different Family
[P06239, P11362]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P06239	P11362	5.638272163982407	5.173925197299174	0.46434696668323294	Different Family
[P06239, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	P08581	6.47755576649368	6.752026733638194	0.2744709671445138	Different Family
[P06239, P08581]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P06239	P08581	5.943095148663527	4.863279432843593	1.079815715819934	Different Family
[P06239, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P08581	5.958607314841775	4.6020599913279625	1.3565473235138121	Different Family
[P06239, P08581]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P08581	6.212221349969987	5.6860800803851195	0.5261412695848673	Different Family
[P06239, P08581]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P06239	P08581	6.467245621007502	5.3124710387853655	1.154774582222137	Different Family
[P06239, P08581]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	P08581	9.221848749616356	5.619788758288394	3.6020599913279625	Different Family
[P06239, P08581]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P08581	4.698970004336019	3.7375489102695707	0.961421094066448	Different Family
[P06239, P08581]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P06239	P08581	5.494850021680094	5.251811972993799	0.24303804868629442	Different Family
[P06239, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P08581	5.2839966563652006	5.2441251443275085	0.039871512037692014	Different Family
[P06239, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P08581	5.522878745280337	5.366531544420414	0.1563472008599236	Different Family
[P06239, P08581]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P08581	8.481486060122112	6.962573502059376	1.5189125580627358	Different Family
[P06239, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P08581	5.698970004336019	5.292429823902063	0.40654018043395546	Different Family
[P06239, P07948]	CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5cc(ccc5F)OCC6CCCO6	P06239	P07948	5.050609993355088	5.008773924307505	0.04183606904758275	Same Family
[P06239, P07948]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06239	P07948	6.96479633912994	5.928117992693875	1.036678346436065	Same Family
[P06239, P07948]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P07948	6.496981022501341	6.7447274948966935	0.2477464723953524	Same Family
[P06239, P07948]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P06239	P07948	6.244887733604929	6.084072788302884	0.16081494530204488	Same Family
[P06239, P07948]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P06239	P07948	7.0915149811213505	7.167491087293763	0.0759761061724129	Same Family
[P06239, P07948]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P06239	P07948	7.795880017344075	6.709965388637482	1.0859146287065933	Same Family
[P06239, P07948]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P06239	P07948	8.655607726314889	7.614036429399302	1.0415712969155866	Same Family
[P06239, P07948]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P07948	5.958607314841775	5.309803919971486	0.6488033948702885	Same Family
[P06239, P07948]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P06239	P07948	6.966576244513051	6.690369832574102	0.2762064119389489	Same Family
[P06239, P07948]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P07948	6.212221349969987	5.856430705489719	0.3557906444802681	Same Family
[P06239, P07948]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P06239	P07948	6.3851027839668655	7.176896193896658	0.7917934099297925	Same Family
[P06239, P07948]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06239	P07948	7.161150909262744	7.431798275933005	0.2706473666702607	Same Family
[P06239, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)F)n5cc(nc5)C	P06239	P07948	4.95663772197887	4.8195873671616765	0.13705035481719374	Same Family
[P06239, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C	P06239	P07948	5.839231438138872	5.451733454829255	0.3874979833096166	Same Family
[P06239, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06239	P07948	6.9657727392294495	5.892450870255313	1.0733218689741362	Same Family
[P06239, P07948]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cccc(c4)n5cc(nc5)C	P06239	P07948	4.350470434052181	4.342752870116284	0.007717563935897509	Same Family
[P06239, P07948]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P06239	P07948	9.0	8.397940008672037	0.6020599913279625	Same Family
[P06239, P07948]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06239	P07948	7.886056647693163	7.6777807052660805	0.20827594242708258	Same Family
[P06239, P07948]	Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)C=CCN(C)C	P06239	P07948	6.117217874017538	6.204815410317576	0.08759753630003875	Same Family
[P06239, P07948]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	P07948	3.9469215565165805	3.749579997691106	0.19734155882547455	Same Family
[P06239, P07948]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P07948	4.698970004336019	4.853871964321762	0.15490195998574308	Same Family
[P06239, P07948]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P06239	P07948	5.494850021680094	5.265826334793921	0.22902368688617258	Same Family
[P06239, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P07948	5.2839966563652006	5.309803919971486	0.025807263606285602	Same Family
[P06239, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P07948	5.522878745280337	5.468521082957745	0.05435766232259276	Same Family
[P06239, P07948]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P06239	P07948	7.665546248849069	8.502401854201409	0.8368556053523397	Same Family
[P06239, P07948]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	P06239	P07948	6.522878745280337	6.662284983266891	0.13940623798655327	Same Family
[P06239, P07948]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P07948	8.481486060122112	8.397940008672037	0.08354605145007454	Same Family
[P06239, P07948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P07948	5.698970004336019	5.1249387366083	0.5740312677277188	Same Family
[P06239, P07948]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	P07948	5.251811972993799	5.853871964321762	0.6020599913279625	Same Family
[P06239, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P28482	6.214670164989233	4.522878745280337	1.6917914197088955	Different Group
[P06239, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	P28482	5.866461091629782	4.522878745280337	1.3435823463494447	Different Group
[P06239, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	P28482	4.823330067331851	4.522878745280337	0.30045132205151326	Different Group
[P06239, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	P28482	5.434152181326482	4.522878745280337	0.9112734360461445	Different Group
[P06239, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	P28482	6.47755576649368	5.201349354554731	1.276206411938949	Different Group
[P06239, P28482]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	P06239	P28482	5.903437561625864	5.845271792559845	0.05816576906601956	Different Group
[P06239, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P28482	6.657577319177793	4.522878745280337	2.134698573897456	Different Group
[P06239, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	P28482	3.9469215565165805	4.327902142064283	0.3809805855477024	Different Group
[P06239, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P28482	4.698970004336019	4.42021640338319	0.27875360095282886	Different Group
[P06239, P28482]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P06239	P28482	5.613947151059611	6.707743928643524	1.093796777583913	Different Group
[P06239, P28482]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	P06239	P28482	7.102372908709558	6.732828271596986	0.3695446371125719	Different Group
[P06239, P28482]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	P06239	P28482	5.64685345378602	6.414539270491499	0.7676858167054785	Different Group
[P06239, P28482]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P06239	P28482	6.247183568811729	6.528708288941061	0.2815247201293323	Different Group
[P06239, P28482]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	P06239	P28482	5.299729062643563	6.205511953340831	0.9057828906972674	Different Group
[P06239, P28482]	c1cc2c(cc(c(c2nc1)O)I)I	P06239	P28482	5.608888386297197	6.531652669587842	0.9227642832906451	Different Group
[P06239, P28482]	c1ccc(cc1)CCOC(=O)C=Cc2ccc(c(c2)O)O	P06239	P28482	5.5395532161192795	6.163675884293248	0.6241226681739684	Different Group
[P06239, Q02763]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P06239	Q02763	6.657577319177793	5.154901959985743	1.5026753591920503	Different Family
[P06239, Q02763]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P06239	Q02763	7.508638306165727	6.040958607678906	1.4676796984868208	Different Family
[P06239, Q02763]	CC(C)(Cc1ccccc1)C(=O)Nc2ccc(cc2OC)c3c4c(ncnc4n(n3)C5CCC(CC5)N6CCN(CC6)C)N	P06239	Q02763	7.036212172654444	5.841637507904751	1.1945746647496938	Different Family
[P06239, Q02763]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P06239	Q02763	7.979303657420887	6.366531544420414	1.6127721130004735	Different Family
[P06239, Q02763]	CN(C)C1CCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	Q02763	5.837653043069112	6.755724641749778	0.9180715986806653	Different Family
[P06239, Q02763]	CN(C)C1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	Q02763	6.823908740944319	6.2076083105017466	0.6163004304425721	Different Family
[P06239, Q02763]	CN(C)CCCN(C)c1ccc(cc1NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P06239	Q02763	7.6777807052660805	8.096910013008056	0.41912930774197577	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)Cc5ccc(c(c5)OC)NC(=O)C6CC6c7ccccc7)c(ncn4)N	P06239	Q02763	7.721246399047171	6.560667306169737	1.160579092877434	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)CCc6ccccc6)c(ncn4)N	P06239	Q02763	7.552841968657781	5.610833915635467	1.9420080530223132	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P06239	Q02763	6.679853713888946	6.0301183562535	0.6497353576354454	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P06239	Q02763	8.34948500216801	6.283162276700476	2.0663227254675336	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7[nH]6)c(ncn4)N	P06239	Q02763	7.698970004336019	6.2839966563652006	1.4149733479708182	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7o6)c(ncn4)N	P06239	Q02763	7.809894379144197	5.969160692377331	1.8407336867668658	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6ccccc6)c(ncn4)N	P06239	Q02763	7.031517051446065	5.329754146925876	1.701762904520189	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccccc6)c(ncn4)N	P06239	Q02763	7.259637310505756	5.94692155651658	1.3127157539891758	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccco6)c(ncn4)N	P06239	Q02763	7.1938200260161125	5.991399828238082	1.2024201977780304	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)Nc6ccccc6)c(ncn4)N	P06239	Q02763	6.777283528852417	6.051587034221399	0.725696494631018	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)c6ccccc6)c(ncn4)N	P06239	Q02763	5.505845405981558	6.863279432843593	1.3574340268620357	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)C(=O)c6ccccc6)c(ncn4)N	P06239	Q02763	6.958607314841775	5.24184537803261	1.7167619368091644	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P06239	Q02763	7.301029995663981	6.692503962086787	0.6085260335771938	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P06239	Q02763	7.3979400086720375	6.217527375833714	1.1804126328383235	Different Family
[P06239, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P06239	Q02763	7.3979400086720375	6.1249387366083	1.2730012720637376	Different Family
[P06239, Q02763]	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	Q02763	6.6777807052660805	7.4808886808156405	0.80310797554956	Different Family
[P06239, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P06239	Q02763	5.943095148663527	5.497572880015567	0.4455222686479603	Different Family
[P06239, Q02763]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P06239	Q02763	8.655607726314889	6.142788157683108	2.512819568631781	Different Family
[P06239, Q02763]	CNC1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	Q02763	6.2076083105017466	7.719449308175472	1.5118409976737253	Different Family
[P06239, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	Q02763	5.958607314841775	7.365243527891042	1.4066362130492678	Different Family
[P06239, Q02763]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P06239	Q02763	4.931814138253839	5.0915149811213505	0.15970084286751174	Different Family
[P06239, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P06239	Q02763	5.346787486224656	7.769551078621726	2.42276359239707	Different Family
[P06239, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	Q02763	3.3010299956639813	6.769551078621726	3.4685210829577446	Different Family
[P06239, Q02763]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P06239	Q02763	6.711541522017397	5.154901959985743	1.5566395620316538	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2cc3ccccc3nc2)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q02763	9.0	8.0	1.0	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2ccc(nc2)C(=O)NC)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	Q02763	6.812479279163537	6.205511953340831	0.6069673258227066	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2ccc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	Q02763	9.0	8.522878745280337	0.4771212547196626	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F	P06239	Q02763	7.376750709602099	7.465907069126919	0.0891563595248197	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P06239	Q02763	9.0	8.522878745280337	0.4771212547196626	Different Family
[P06239, Q02763]	Cc1ccc(cc1C#Cc2cnc3ccccc3n2)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q02763	8.397940008672037	7.070581074285707	1.3273589343863303	Different Family
[P06239, Q02763]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	Q02763	9.698970004336019	9.0	0.6989700043360187	Different Family
[P06239, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P06239	Q02763	4.698970004336019	6.139672321724138	1.4407023173881193	Different Family
[P06239, Q02763]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	Q02763	9.221848749616356	6.698970004336019	2.5228787452803374	Different Family
[P06239, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P06239	Q02763	7.886056647693163	6.168770306132936	1.7172863415602269	Different Family
[P06239, Q02763]	Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	P06239	Q02763	7.431798275933005	5.828566099056991	1.6032321768760136	Different Family
[P06239, Q02763]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCC(C4)N)C(F)(F)F)F	P06239	Q02763	5.8297382846050425	7.6837713539076375	1.854033069302595	Different Family
[P06239, Q02763]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F)F	P06239	Q02763	6.431798275933005	7.71356419889976	1.2817659229667546	Different Family
[P06239, Q02763]	c1cc(cc(c1)C(=O)Nc2cc(ccc2N3CCCCC3)C(F)(F)F)C#Cc4cnc(nc4)N	P06239	Q02763	6.3872161432802645	6.90135972093719	0.5141435776569256	Different Family
[P06239, Q02763]	c1cc(cc(c1)C(=O)Nc2cccc(c2)C(F)(F)F)C#Cc3cnc(nc3)N	P06239	Q02763	7.721246399047171	7.958607314841775	0.2373609157946035	Different Family
[P06239, Q02763]	c1cc(cc(c1)NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P06239	Q02763	7.187086643357144	7.327902142064283	0.1408154987071386	Different Family
[P06239, Q02763]	c1cc2c(cc1Cn3ccnc3)-c4c(c(n[nH]4)c5ccsc5)C2	P06239	Q02763	4.67487447378307	4.753476800033426	0.07860232625035657	Different Family
[P06239, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P06239	Q02763	6.249607413541272	6.221848749616356	0.02775866392491544	Different Family
[P06239, Q02763]	c1ccc(cc1)Oc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CCCC5	P06239	Q02763	6.23426957032267	5.468521082957745	0.7657484873649256	Different Family
[P06239, Q02763]	c1ccc(cc1)Oc2ccccc2c3cn(c4c3c(ncn4)N)C5CCCC5	P06239	Q02763	6.4089353929735005	5.309803919971486	1.0991314730020143	Different Family
[P06239, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P06239	Q9UM73	6.920818753952375	5.795880017344075	1.1249387366083	Different Group
[P06239, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P06239	Q9UM73	6.443697499232713	5.022276394711152	1.4214211045215608	Different Group
[P06239, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P06239	Q9UM73	5.218244625347531	5.823908740944319	0.6056641155967872	Different Group
[P06239, Q9UM73]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P06239	Q9UM73	6.481486060122113	6.6777807052660805	0.19629464514396755	Different Group
[P06239, Q9UM73]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P06239	Q9UM73	5.958607314841775	5.481486060122113	0.4771212547196617	Different Group
[P06239, Q9UM73]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P06239	Q9UM73	8.154901959985743	7.119186407719209	1.0357155522665344	Different Group
[P06239, Q9UM73]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P06239	Q9UM73	7.301029995663981	6.259637310505756	1.0413926851582254	Different Group
[P06239, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P06239	Q9UM73	6.866461091629782	6.844663962534939	0.021797129094843548	Different Group
[P06239, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P06239	Q9UM73	6.853871964321762	6.431798275933005	0.4220736883887568	Different Group
[P06239, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P06239	Q9UM73	6.920818753952375	6.180456064458132	0.7403626894942432	Different Group
[P06239, Q9UM73]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P06239	Q9UM73	6.4089353929735005	5.853871964321762	0.5550634286517386	Different Group
[P06239, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	Q9UM73	5.2839966563652006	5.465907069126919	0.18191041276171838	Different Group
[P06239, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	Q9UM73	5.522878745280337	5.789198036565084	0.26631929128474674	Different Group
[P06239, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	Q9UM73	6.161150909262744	6.119186407719209	0.041964501543535704	Different Group
[P06239, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	Q9UM73	5.698970004336019	5.41369853439507	0.2852714699409491	Different Group
[P06239, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P31749	6.214670164989233	4.522878745280337	1.6917914197088955	Different Group
[P06239, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	P31749	5.866461091629782	4.730954290342377	1.1355068012874048	Different Group
[P06239, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	P31749	4.823330067331851	4.522878745280337	0.30045132205151326	Different Group
[P06239, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	P31749	5.434152181326482	4.522878745280337	0.9112734360461445	Different Group
[P06239, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P31749	5.958607314841775	4.0	1.9586073148417746	Different Group
[P06239, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	P31749	6.657577319177793	5.508638306165727	1.1489390130120665	Different Group
[P06239, P31749]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	P31749	3.3010299956639813	4.301029995663981	1.0	Different Group
[P06239, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	P31749	3.9469215565165805	4.853871964321762	0.9069504078051813	Different Group
[P06239, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	P31749	4.698970004336019	5.795880017344075	1.0969100130080562	Different Group
[P06239, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	P31749	6.161150909262744	5.154901959985743	1.0062489492770013	Different Group
[P06239, P31749]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P06239	P31749	8.481486060122112	7.958607314841775	0.5228787452803374	Different Group
[P06239, P09769]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P06239	P09769	6.96479633912994	4.85078088734462	2.1140154517853196	Same Family
[P06239, P09769]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P06239	P09769	6.496981022501341	7.366531544420414	0.8695505219190727	Same Family
[P06239, P09769]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	P09769	5.958607314841775	5.080921907623926	0.8776854072178484	Same Family
[P06239, P09769]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	P09769	6.212221349969987	5.710634048479968	0.5015873014900185	Same Family
[P06239, P09769]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P06239	P09769	6.3851027839668655	7.3872161432802645	1.002113359313399	Same Family
[P06239, P09769]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	P09769	3.3010299956639813	3.3010299956639813	0.0	Same Family
[P06239, P09769]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P06239	P09769	9.0	9.096910013008056	0.09691001300805624	Same Family
[P06239, P09769]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P09769	5.2839966563652006	5.229147988357856	0.05484866800734434	Same Family
[P06239, P09769]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P09769	5.522878745280337	5.552841968657781	0.02996322337744317	Same Family
[P06239, P09769]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P09769	5.698970004336019	5.1938200260161125	0.5051499783199063	Same Family
[O14757, P06239]	CC(C)NCc1ccc(cc1)Nc2cc([nH]n2)c3ccc(cc3)c4ccc(cc4O)O	P06239	O14757	5.5934598195660445	8.455931955649724	2.86247213608368	Different Group
[O14757, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	O14757	6.214670164989233	4.522878745280337	1.6917914197088955	Different Group
[O14757, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	O14757	5.866461091629782	4.522878745280337	1.3435823463494447	Different Group
[O14757, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	O14757	4.823330067331851	4.522878745280337	0.30045132205151326	Different Group
[O14757, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	O14757	5.434152181326482	4.522878745280337	0.9112734360461445	Different Group
[O14757, P06239]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P06239	O14757	6.866461091629782	6.812479279163537	0.05398181246624478	Different Group
[O14757, P06239]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	O14757	6.657577319177793	5.863279432843593	0.7942978863342001	Different Group
[O14757, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	O14757	3.9469215565165805	4.7447274948966935	0.797805938380113	Different Group
[O14757, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	O14757	4.698970004336019	5.7447274948966935	1.0457574905606748	Different Group
[O14757, P06239]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCC(CC4)N)C(=O)N)Cl	P06239	O14757	6.0	6.237607275339389	0.2376072753393892	Different Group
[O14965, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	O14965	6.214670164989233	4.522878745280337	1.6917914197088955	Different Group
[O14965, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	O14965	5.866461091629782	4.522878745280337	1.3435823463494447	Different Group
[O14965, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	O14965	4.823330067331851	4.522878745280337	0.30045132205151326	Different Group
[O14965, P06239]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	O14965	5.434152181326482	4.522878745280337	0.9112734360461445	Different Group
[O14965, P06239]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P06239	O14965	6.244887733604929	6.30715308072277	0.06226534711784115	Different Group
[O14965, P06239]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P06239	O14965	7.0915149811213505	6.35261702988538	0.7388979512359706	Different Group
[O14965, P06239]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06239	O14965	6.47755576649368	6.966576244513051	0.48902047801937076	Different Group
[O14965, P06239]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	O14965	5.958607314841775	4.6020599913279625	1.3565473235138121	Different Group
[O14965, P06239]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	O14965	6.657577319177793	5.809668301829708	0.8479090173480852	Different Group
[O14965, P06239]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P06239	O14965	3.3010299956639813	6.119186407719209	2.8181564120552274	Different Group
[O14965, P06239]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P06239	O14965	8.154901959985743	8.522878745280337	0.3679767852945943	Different Group
[O14965, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P06239	O14965	3.9469215565165805	5.107905397309519	1.1609838407929387	Different Group
[O14965, P06239]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P06239	O14965	4.698970004336019	5.008773924307505	0.30980391997148615	Different Group
[O14965, P06239]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	O14965	6.161150909262744	5.508638306165727	0.6525126030970174	Different Group
[P06239, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)C(=O)NC	P06239	P15056	7.187086643357144	6.949814727441218	0.237271915915926	Different Group
[P06239, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	P06239	P15056	5.698970004336019	7.090228032229065	1.3912580278930466	Different Group
[P06239, P15056]	CC(C)(C)c1cccc(c1)Nc2nc3cc(ccc3n2C)Oc4ccnc(c4)c5[nH]ccn5	P06239	P15056	6.698970004336019	6.727346441767088	0.02837643743106888	Different Group
[P06239, P15056]	CCN1CCN(CC1)CC(=O)Nc2cc(ccn2)Oc3ccc4c(c3)nc(n4C)Nc5cc(ccc5F)C(F)(F)F	P06239	P15056	6.619788758288394	8.221848749616356	1.6020599913279625	Different Group
[P06239, P15056]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P06239	P15056	7.161150909262744	8.0	0.8388490907372557	Different Group
[P06239, P15056]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P06239	P15056	9.522878745280337	7.568636235841013	1.9542425094393243	Different Group
[P06239, P15056]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	P06239	P15056	5.494850021680094	6.638272163982407	1.1434221423023132	Different Group
[P06239, P15056]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P06239	P15056	5.2839966563652006	5.229147988357856	0.05484866800734434	Different Group
[P06239, P15056]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P06239	P15056	5.522878745280337	5.2076083105017466	0.31527043477859085	Different Group
[P06239, P15056]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P06239	P15056	5.698970004336019	5.6020599913279625	0.09691001300805624	Different Group
[P06239, Q06187]	CCC(=O)N(c1cccc(c1)Nc2ncc(cn2)NC(=O)c3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F)C(=O)CC	P06239	Q06187	6.542118103266008	5.85078088734462	0.6913372159213873	Different Family
[P06239, Q06187]	CCC(=O)Nc1cccc(c1)Nc2ncc(cn2)NC(=O)c3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.154901959985743	7.823908740944319	0.3309932190414244	Different Family
[P06239, Q06187]	CCNc1ncc(cn1)NC(=O)c2cc(ccc2C)NC(=O)c3cccc(c3)C(F)(F)F	P06239	Q06187	6.847711655616943	5.956244873031321	0.8914667825856224	Different Family
[P06239, Q06187]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P06239	Q06187	6.900008766455316	6.499996931948306	0.4000118345070094	Different Family
[P06239, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	Q06187	6.214670164989233	4.522878745280337	1.6917914197088955	Different Family
[P06239, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P06239	Q06187	5.866461091629782	4.590574131328557	1.275886960301225	Different Family
[P06239, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P06239	Q06187	4.823330067331851	4.522878745280337	0.30045132205151326	Different Family
[P06239, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P06239	Q06187	5.434152181326482	4.522878745280337	0.9112734360461445	Different Family
[P06239, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P06239	Q06187	6.244887733604929	8.522878745280337	2.2779910116754083	Different Family
[P06239, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P06239	Q06187	7.0915149811213505	7.823908740944319	0.7323937598229682	Different Family
[P06239, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P06239	Q06187	5.958607314841775	4.6020599913279625	1.3565473235138121	Different Family
[P06239, Q06187]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	P06239	Q06187	6.966576244513051	7.795880017344075	0.8293037728310244	Different Family
[P06239, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P06239	Q06187	6.212221349969987	5.473660722610156	0.7385606273598304	Different Family
[P06239, Q06187]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P06239	Q06187	5.619788758288394	5.3872161432802645	0.2325726150081291	Different Family
[P06239, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P06239	Q06187	6.657577319177793	6.022276394711152	0.635300924466641	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)N)NC(=O)c3cccc(c3)C(F)(F)F	P06239	Q06187	6.826813731587726	5.465593100862123	1.3612206307256027	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.397940008672037	8.096910013008056	0.30102999566398125	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)C(F)(F)F)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	7.795880017344075	6.517126416391246	1.2787536009528289	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)F)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.397940008672037	7.2839966563652006	1.113943352306837	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)N)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.301029995663981	7.853871964321762	0.44715803134221943	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)NC(=O)CCN(C)C)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	9.045757490560675	7.853871964321762	1.191885526238913	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3cccc(c3)OC)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.397940008672037	7.275724130399211	1.1222158782728267	Different Family
[P06239, Q06187]	Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccccc3)NC(=O)c4cccc(c4)C(F)(F)F	P06239	Q06187	8.154901959985743	6.876148359032914	1.2787536009528289	Different Family
[P06239, Q06187]	Cc1ccc(cc1Nc2c3cncn3c4cc(c(cc4n2)Cl)N(C)C(=O)C=CCN(C)C)F	P06239	Q06187	5.554395796726403	8.492571789977747	2.9381759932513445	Different Family
[P06239, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P06239	Q06187	9.301029995663981	5.47755576649368	3.8234742291703014	Different Family
[P06239, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P06239	Q06187	9.698970004336019	6.2636034977233574	3.4353665066126613	Different Family
[P06239, Q06187]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P06239	Q06187	9.397940008672037	8.301029995663981	1.0969100130080562	Different Family
[P06239, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P06239	Q06187	9.221848749616356	7.0	2.221848749616356	Different Family
[P06239, Q06187]	Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N	P06239	Q06187	5.229147988357856	4.0	1.2291479883578562	Different Family
[P06239, Q06187]	Cn1cc(cn1)c2cccc3c2nnc(c3N)C(=O)N	P06239	Q06187	4.886056647693163	3.619788758288394	1.266267889404769	Different Family
[P06239, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P06239	Q06187	6.161150909262744	6.236572006437063	0.07542109717431877	Different Family
[P06239, Q06187]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P06239	Q06187	7.665546248849069	7.752026733638194	0.08648048478912429	Different Family
[P06239, Q06187]	c1cc2c(c(nnc2c(c1)c3ccc4cc[nH]c4c3)C(=O)N)N	P06239	Q06187	5.1938200260161125	3.070581074285707	2.1232389517304053	Different Family
[P06239, Q06187]	c1cc2c(c(nnc2c(c1)c3ccc4cn[nH]c4c3)C(=O)N)N	P06239	Q06187	5.886056647693163	4.920818753952375	0.9652378937407882	Different Family
[P06239, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P06239	Q06187	5.251811972993799	5.119186407719209	0.13262556527459068	Different Family
[P06239, Q06187]	c1ccc2c(c1)c(c(nn2)C(=O)N)N	P06239	Q06187	4.42021640338319	5.455931955649724	1.0357155522665344	Different Family
[P12931, P43405]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P43405	P12931	6.13608262304214	5.363512103646634	0.7725705193955053	Different Family
[P12931, P43405]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P43405	P12931	4.6020599913279625	5.2403321553103694	0.6382721639824069	Different Family
[P12931, P43405]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43405	P12931	5.515700160653214	5.771086594005312	0.2553864333520979	Different Family
[P12931, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P43405	P12931	5.954677021213342	7.769551078621726	1.8148740574083835	Different Family
[P12931, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P43405	P12931	6.534617148551582	8.698970004336019	2.164352855784437	Different Family
[P12931, P43405]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P43405	P12931	6.698970004336019	9.0	2.3010299956639813	Different Family
[P12931, P43405]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P43405	P12931	4.698970004336019	6.920818753952375	2.221848749616356	Different Family
[P12931, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43405	P12931	5.102372908709558	5.337242168318426	0.2348692596088675	Different Family
[P12931, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43405	P12931	5.356547323513812	5.6020599913279625	0.24551266781415038	Different Family
[P12931, P43405]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43405	P12931	5.3979400086720375	5.337242168318426	0.06069784035361181	Different Family
[P35968, P43405]	CCCn1c(c(c2c1ccc(c2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)Cl)C	P43405	P35968	8.920818753952375	6.313363730737707	2.6074550232146683	Different Family
[P35968, P43405]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P43405	P35968	4.6020599913279625	5.107905397309519	0.5058454059815567	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2c(cnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)F)CN5CC(C5)O	P43405	P35968	9.0	6.0	3.0	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2cccc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C(F)(F)F)CN5CCC(C5)O	P43405	P35968	10.0	6.29929628285498	3.7007037171450197	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CCN5CCC(C5)O	P43405	P35968	7.756961951313706	5.6759234202605136	2.081038531053192	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C(C5)OC)O	P43405	P35968	9.221848749616356	6.13608262304214	3.0857661265742165	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(CC5C(=O)O)O	P43405	P35968	7.886056647693163	5.024200690320592	2.861855957372571	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(CC5C)O	P43405	P35968	8.0	5.3693687559795	2.6306312440205	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(CC5COC)O	P43405	P35968	8.18045606445813	5.0771707803333515	3.1032852841247793	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(o4)C)Cl)CN5CC(C5)O	P43405	P35968	7.614393726401688	5.409492537991417	2.204901188410271	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c[nH]4)C(=O)C)CN5CC(C5)O	P43405	P35968	8.886056647693163	6.235823867609669	2.6502327800834937	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C)CN5CC(C5)O	P43405	P35968	8.886056647693163	6.461426266193144	2.4246303815000187	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CCC(C6)O	P43405	P35968	10.0	6.316052869248488	3.6839471307515117	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)Cl)CN5CC(C5)O	P43405	P35968	8.949814727441218	6.447331783887807	2.502482943553411	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)c5nccs5)CN6CC(C6)O	P43405	P35968	8.67778070526608	6.537602002101044	2.140178703165036	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C(C)C)Cl)CN5CC(C5)O	P43405	P35968	7.8996294548824375	5.718285029972704	2.1813444249097333	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)S(=O)(=O)C)CN5CC(C(C5)O)O	P43405	P35968	9.154901959985743	6.189095719331299	2.9658062406544436	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)ccn4C)CN5CC(C5)O	P43405	P35968	7.078425985278567	5.772627557710364	1.3057984275682033	Different Family
[P35968, P43405]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O	P43405	P35968	7.7640609003463545	5.727694155597914	2.036366744748441	Different Family
[P35968, P43405]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43405	P35968	5.515700160653214	5.375717904164332	0.1399822564888824	Different Family
[P35968, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P43405	P35968	5.954677021213342	7.769551078621726	1.8148740574083835	Different Family
[P35968, P43405]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P43405	P35968	6.534617148551582	9.0	2.4653828514484184	Different Family
[P35968, P43405]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P43405	P35968	6.698970004336019	6.853871964321762	0.15490195998574308	Different Family
[P35968, P43405]	Cc1cn(cc1CN2CC(C2)O)c3c(cnc(n3)Nc4ccc5c(c4)c(nn5C)Cl)F	P43405	P35968	8.823908740944319	6.823908740944319	2.0	Different Family
[P35968, P43405]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P43405	P35968	7.356547323513813	8.051220962623397	0.6946736391095838	Different Family
[P35968, P43405]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P43405	P35968	4.698970004336019	6.552841968657781	1.8538719643217618	Different Family
[P35968, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43405	P35968	5.102372908709558	5.301029995663981	0.19865708695442308	Different Family
[P35968, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43405	P35968	5.356547323513812	6.0	0.6434526764861879	Different Family
[P35968, P43405]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P43405	P35968	7.598599459218456	8.337242168318426	0.7386427090999694	Different Family
[P35968, P43405]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43405	P35968	5.3979400086720375	5.3872161432802645	0.010723865391772947	Different Family
[P43403, P43405]	CC(C)(CNc1nc(c(c2n1cc(n2)c3ccccc3)C(=O)N)Nc4cc(cc(c4)OC)OC)N	P43405	P43403	6.075720713938118	6.795880017344075	0.720159303405957	Same Family
[P43403, P43405]	CC1CCCCC1Nc2nc(c(c3n2ccn3)C(=O)N)Nc4cc(cc(c4)OC)OC	P43405	P43403	6.0	5.481486060122113	0.5185139398778871	Same Family
[P43403, P43405]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P43405	P43403	6.13608262304214	5.296708621881339	0.8393740011608006	Same Family
[P43403, P43405]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P43405	P43403	4.6020599913279625	4.6020599913279625	0.0	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nccn3c(n2)N)C(=O)N	P43405	P43403	5.1487416512809245	5.0	0.14874165128092454	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nccn3c(n2)NC4CCCCC4O)C(=O)N	P43405	P43403	6.142667503568732	5.7447274948966935	0.3979400086720384	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nccn3c(n2)NCCCN)C(=O)N	P43405	P43403	5.823908740944319	4.906578314837765	0.9173304261065534	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nccn3c(n2)NCCN)C(=O)N	P43405	P43403	6.638272163982407	5.455931955649724	1.1823402083326826	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nccn3c(n2)NCCO)C(=O)N	P43405	P43403	5.366531544420414	5.721246399047171	0.35471485462675734	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3ncnn3c(n2)NC4CCCCC4N)C(=O)N	P43405	P43403	8.397940008672037	6.481486060122113	1.9164539485499246	Same Family
[P43403, P43405]	COc1cc(cc(c1)OC)Nc2c(c3nncn3c(n2)NC4CCCCC4N)C(=O)N	P43405	P43403	8.045757490560675	6.920818753952375	1.1249387366083	Same Family
[P43403, P43405]	COc1ccc(cc1)Nc2c(c3nccn3c(n2)NC4CCCCC4N)C(=O)N	P43405	P43403	7.036212172654444	5.3872161432802645	1.6489960293741799	Same Family
[P43403, P43405]	COc1ccc(cc1OC)Nc2nc3c(c(n2)N4CCOCC4)nc[nH]3	P43405	P43403	4.920818753952375	4.207608310501746	0.7132104434506292	Same Family
[P43403, P43405]	COc1cccc(c1)Nc2c(c3nccn3c(n2)NC4CCCCC4N)C(=O)N	P43405	P43403	7.522878745280337	5.769551078621726	1.7533276666586115	Same Family
[P43403, P43405]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43405	P43403	5.515700160653214	5.013228265733755	0.5024718949194593	Same Family
[P43403, P43405]	Cc1cc(cc(c1)Nc2c(c3nccn3c(n2)NC4CCCCC4N)C(=O)N)C	P43405	P43403	8.221848749616356	6.318758762624412	1.9030899869919438	Same Family
[P43403, P43405]	Cc1ccc(cc1)Nc2c(cnc(n2)NCCN)C(=O)N	P43405	P43403	6.823908740944319	5.187086643357144	1.6368220975871743	Same Family
[P43403, P43405]	Cc1cccc(c1)Nc2c(cnc(n2)NCCN)C(=O)N	P43405	P43403	7.361424693018101	5.2839966563652006	2.0774280366529005	Same Family
[P43403, P43405]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P43405	P43403	6.698970004336019	6.431798275933005	0.26717172840301373	Same Family
[P43403, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43405	P43403	5.102372908709558	5.259637310505756	0.15726440179619772	Same Family
[P43403, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43405	P43403	5.356547323513812	5.2839966563652006	0.07255066714861158	Same Family
[P43403, P43405]	c1cc(cc(c1)Nc2c(cnc(n2)NCCN)C(=O)N)C(F)(F)F	P43405	P43403	7.3872161432802645	4.950781977329818	2.4364341659504465	Same Family
[P43403, P43405]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O)Cl	P43405	P43403	6.981685552318919	6.088842391260023	0.892843161058896	Same Family
[P43403, P43405]	c1ccc(c(c1)CN2c3ccccc3C(=C4C(=O)NC(=S)N4)C2=O)Cl	P43405	P43403	3.774690718274137	4.6777807052660805	0.9030899869919433	Same Family
[P43403, P43405]	c1ccc(cc1)C(=C2c3ccccc3NC2=O)c4[nH]c5ccccc5n4	P43405	P43403	4.3979400086720375	4.585026652029182	0.1870866433571443	Same Family
[P43403, P43405]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43405	P43403	5.3979400086720375	5.1938200260161125	0.20411998265592501	Same Family
[P43403, P43405]	c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccccc4Cl)C(=O)N2	P43405	P43403	4.2441251443275085	4.853871964321762	0.6097468199942533	Same Family
[P43403, P43405]	c1ccc(cc1)c2cc3c(=O)[nH]c(nc3s2)CSc4nnc(s4)NCC5CCCO5	P43405	P43403	4.645891560852599	5.0655015487564325	0.41960998790383375	Same Family
[P43403, P43405]	c1ccc2c(c1)c(=O)[nH]c(n2)CCC(=O)Nc3ncc(s3)Cc4ccc(c(c4)F)F	P43405	P43403	4.735182176990463	5.3979400086720375	0.6627578316815743	Same Family
[P43403, P43405]	c1ccc2c(c1)c3ccc4c(c3o2)C(=NNc5ccncc5)C(=O)N4	P43405	P43403	4.585026652029182	5.096910013008056	0.5118833609788744	Same Family
[P43403, P43405]	c1cn2c(n1)c(c(nc2NC3CCCCC3N)Nc4cc(cc(c4)F)F)C(=O)N	P43405	P43403	7.522878745280337	6.136677139879544	1.3862016054007933	Same Family
[O60674, P43405]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P43405	O60674	5.643591672961019	6.860120913598763	1.216529240637744	Different Family
[O60674, P43405]	COc1ccc(cc1OC)Nc2nc3c(c(n2)N4CCOCC4)nc[nH]3	P43405	O60674	4.920818753952375	6.958607314841775	2.0377885608893997	Different Family
[O60674, P43405]	CS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N	P43405	O60674	7.823908740944319	8.494850021680094	0.6709412807357751	Different Family
[O60674, P43405]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43405	O60674	5.515700160653214	5.940108206919151	0.42440804626593653	Different Family
[O60674, P43405]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P43405	O60674	6.698970004336019	6.619788758288394	0.07918124604762511	Different Family
[O60674, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43405	O60674	5.102372908709558	5.251811972993799	0.14943906428424114	Different Family
[O60674, P43405]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43405	O60674	5.356547323513812	5.568636235841013	0.21208891232720095	Different Family
[O60674, P43405]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O)Cl	P43405	O60674	6.981685552318919	5.7423214251308154	1.2393641271881037	Different Family
[O60674, P43405]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43405	O60674	5.3979400086720375	5.327902142064283	0.07003786660775457	Different Family
[O60674, P43405]	c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccccc4Cl)C(=O)N2	P43405	O60674	4.2441251443275085	5.221848749616356	0.9777236052888476	Different Family
[O60674, P43405]	c1ccc(cc1)c2cc3c(=O)[nH]c(nc3s2)CSc4nnc(s4)NCC5CCCO5	P43405	O60674	4.645891560852599	5.050609993355088	0.40471843250248885	Different Family
[O60674, P43405]	c1ccc2c(c1)c(=O)[nH]c(n2)CCC(=O)Nc3ncc(s3)Cc4ccc(c(c4)F)F	P43405	O60674	4.735182176990463	5.431798275933005	0.6966160989425418	Different Family
[O60674, P43405]	c1ccc2c(c1)c3ccc4c(c3o2)C(=NNc5ccncc5)C(=O)N4	P43405	O60674	4.585026652029182	4.958607314841775	0.37358066281259283	Different Family
[P53779, Q16539]	CC(=O)CSc1nc(c(n1C)c2ccnc(c2)NC(=O)C)c3ccc(cc3)F	Q16539	P53779	7.443697499232713	6.5934598195660445	0.8502376796666686	Same Family
[P53779, Q16539]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	Q16539	P53779	6.9528396235763985	8.0416462455361	1.0888066219597015	Same Family
[P53779, Q16539]	CC(=O)N1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccccc4	Q16539	P53779	7.431798275933005	8.045757490560675	0.6139592146276698	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SC3CCC(CC3O)C(=O)O)c4ccc(cc4)F	Q16539	P53779	6.11690664142431	6.7447274948966935	0.6278208534723833	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SC=CC(=O)O)c3ccc(cc3)F	Q16539	P53779	6.718966632752273	7.259637310505756	0.5406706777534831	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SCC(=O)N(C)C)c3ccc(cc3)F	Q16539	P53779	6.853871964321762	5.925915310971757	0.9279566533500052	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SCC(=O)O)c3ccc(cc3)F	Q16539	P53779	5.778325002929231	6.575118363368933	0.7967933604397022	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SCC(=O)OC)c3ccc(cc3)F	Q16539	P53779	6.527243550682788	6.701146923590294	0.1739033729075059	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C)SCCC(=O)O)c3ccc(cc3)F	Q16539	P53779	6.609064892896621	7.040958607678906	0.43189371478228544	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.910094888560602	7.086186147616283	0.17609125905568135	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CCC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.675717544702307	7.327902142064283	0.652184597361976	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CCCC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.785156151952302	7.346787486224656	0.561631334272354	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CCCCC3)SC4CCC(CC4O)C(=O)O)c5ccc(cc5)F	Q16539	P53779	6.380906669373258	7.102372908709558	0.7214662393363005	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CCCCC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.782516055786093	6.876148359032914	0.09363230324682092	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2C3CCCCC3)Sc4cccc(n4)I)c5ccc(cc5)F	Q16539	P53779	6.448550002027125	5.815876645760329	0.6326733562667961	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC(CO)O)SC=CC(=O)O)c3ccc(cc3)F	Q16539	P53779	6.140861702705469	6.645891560852599	0.5050298581471298	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC(OC)OC)SC3CCC(CC3O)C(=O)O)c4ccc(cc4)F	Q16539	P53779	6.8696662315049934	5.696803942579511	1.172862288925482	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC(OC)OC)SC=CC(=O)O)c3ccc(cc3)F	Q16539	P53779	6.474955192963154	7.481486060122113	1.0065308671589586	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC(OC)OC)SCCC(=O)O)c3ccc(cc3)F	Q16539	P53779	5.769806621130955	6.570247719997592	0.8004410988666377	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC3CC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	7.102407705158788	7.25713928675921	0.154731581600422	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC3CCCCC3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	7.4089353929735005	7.6020599913279625	0.19312459835446205	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC3CCCO3)SC4CCC(CC4O)C(=O)O)c5ccc(cc5)F	Q16539	P53779	6.213248577854439	5.579549140893932	0.6336994369605069	Same Family
[P53779, Q16539]	CC(=O)Nc1cc(ccn1)c2c(nc(n2CC3CCCO3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.651695136951839	7.455931955649724	0.804236818697885	Same Family
[P53779, Q16539]	CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccncc3	Q16539	P53779	6.346787486224656	6.267606240177032	0.07918124604762422	Same Family
[P53779, Q16539]	CC(C)c1c(c(on1)c2ccc(cc2)F)c3ccncc3	Q16539	P53779	5.657577319177793	5.455931955649724	0.20164536352806905	Same Family
[P53779, Q16539]	CCC(C)Nc1cc(ccn1)c2c(nc(n2CC(OC)OC)SC=CC(=O)O)c3ccc(cc3)F	Q16539	P53779	7.468521082957745	7.585026652029182	0.11650556907143717	Same Family
[P53779, Q16539]	CCCNc1nccc(n1)c2c(nc3n2C(CC3)CO)c4ccc(cc4)F	Q16539	P53779	7.530740137411754	8.56246936830415	1.0317292308923962	Same Family
[P53779, Q16539]	CCNC(=O)N1CCC(CC1)Nc2cc(ccn2)c3c(nc(n3C)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	6.835647144215563	7.214670164989233	0.37902302077367	Same Family
[P53779, Q16539]	CCOC(=O)C=CSc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc(c3)Nc4ccccc4	Q16539	P53779	6.835647144215563	7.096910013008056	0.2612628687924934	Same Family
[P53779, Q16539]	CCOC(=O)C=CSc1nc(c(n1C2CC2)c3ccnc(c3)NC(=O)C)c4ccc(cc4)F	Q16539	P53779	6.345823458122039	6.168770306132936	0.17705315198910299	Same Family
[P53779, Q16539]	CCOC(=O)C=CSc1nc(c(n1CC(OC)OC)c2ccnc(c2)NC(=O)C)c3ccc(cc3)F	Q16539	P53779	5.660747365967301	5.664141088680182	0.0033937227128815195	Same Family
[P53779, Q16539]	CCOC(=O)C=CSc1nc(c(n1CC2CC2)c3ccnc(c3)NC(=O)C)c4ccc(cc4)F	Q16539	P53779	6.183758700008217	5.915066425063284	0.2686922749449332	Same Family
[P53779, Q16539]	CN(C)CCNC(=O)c1ccc(cc1)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	Q16539	P53779	8.060480747381382	8.721246399047171	0.6607656516657894	Same Family
[P53779, Q16539]	CN(C)CCNC(=O)c1cccc(c1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	Q16539	P53779	7.795880017344075	7.6777807052660805	0.11809931207799451	Same Family
[P53779, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	Q16539	P53779	5.431798275933005	4.3979400086720375	1.0338582672609675	Same Family
[P53779, Q16539]	COC(Cn1c(c(nc1SC=CC(=O)O)c2ccc(cc2)F)c3ccnc(c3)NC4CC4)OC	Q16539	P53779	6.892790030352131	7.920818753952375	1.0280287236002437	Same Family
[P53779, Q16539]	COC(Cn1c(c(nc1SCC#N)c2ccc(cc2)F)c3ccnc(c3)F)OC	Q16539	P53779	6.192464971931146	5.374687549038326	0.8177774228928207	Same Family
[P53779, Q16539]	COC(Cn1c(c(nc1SCC#N)c2ccc(cc2)F)c3ccnc(c3)NC4CC4)OC	Q16539	P53779	6.815308569182402	7.102372908709558	0.2870643395271566	Same Family
[P53779, Q16539]	COc1ccc(cc1)COCC2CCc3n2c(c(n3)c4ccc(cc4)F)c5ccnc(n5)N	Q16539	P53779	6.73285999739746	6.890942406847726	0.15808240945026597	Same Family
[P53779, Q16539]	COc1ccccc1Nc2ccc3c(c2)[nH]nc3c4ccccc4	Q16539	P53779	7.337242168318426	6.694648630553377	0.6425935377650491	Same Family
[P53779, Q16539]	C[S+](c1ccccc1CSc2ncc(c(n2)c3ccncc3)c4ccc(cc4)F)[O-]	Q16539	P53779	5.292429823902063	4.54515513999149	0.7472746839105735	Same Family
[P53779, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	Q16539	P53779	8.522878745280337	6.838631997765025	1.6842467475153127	Same Family
[P53779, Q16539]	c1cc(c(c(c1)Cl)CC(=O)Nc2c(c(no2)c3ccc(cc3)F)c4ccncn4)F	Q16539	P53779	7.962573502059376	6.242603971206976	1.7199695308524001	Same Family
[P53779, Q16539]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4)F	Q16539	P53779	6.305770885887	8.284318117920506	1.978547232033506	Same Family
[P53779, Q16539]	c1cc(ccc1Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4)F	Q16539	P53779	6.701146923590294	8.221848749616356	1.5207018260260625	Same Family
[P53779, Q16539]	c1cc(ccc1c2c(c(on2)N)c3ccncn3)F	Q16539	P53779	6.101274818410507	5.657774770639209	0.44350004777129737	Same Family
[P53779, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)[nH]nc3c4cccc(c4)C(=O)NC5CCNCC5)Cl	Q16539	P53779	8.356547323513812	8.853871964321762	0.4973246408079497	Same Family
[P53779, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4ccc(cc4)C(=O)O)Cl	Q16539	P53779	7.886056647693163	7.494850021680094	0.3912066260130693	Same Family
[P53779, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)N)Cl	Q16539	P53779	8.494850021680094	8.481486060122112	0.013363961557981696	Same Family
[P53779, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)NCCCN5CCOCC5)Cl	Q16539	P53779	8.431798275933005	8.468521082957745	0.03672280702473962	Same Family
[P53779, Q16539]	c1ccc(c(c1)Nc2ccc3c(c2)n[nH]c3c4cccc(c4)C(=O)O)Cl	Q16539	P53779	7.619788758288394	8.275724130399212	0.6559353721108181	Same Family
[P53779, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3c(nc([nH]3)SC=CC(=O)O)c4ccc(cc4)F	Q16539	P53779	7.443697499232713	7.769551078621726	0.3258535793890127	Same Family
[P53779, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3c(nc(n3CC4CC4)SC=CC(=O)O)c5ccc(cc5)F	Q16539	P53779	6.596659081552514	6.969613318369147	0.372954236816633	Same Family
[P53779, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOC4	Q16539	P53779	6.7447274948966935	8.154901959985743	1.4101744650890495	Same Family
[P53779, Q16539]	c1ccc(cc1)Nc2cc(ccn2)c3ccnc(c3)NC(=O)C4CCOCC4	Q16539	P53779	6.600326278518962	8.096910013008056	1.4965837344890947	Same Family
[P53779, Q16539]	c1ccc(cc1)c2c3ccc(cc3[nH]n2)Nc4ccccc4	Q16539	P53779	7.522878745280337	7.318758762624412	0.20411998265592501	Same Family
[P53779, Q16539]	c1ccc(cc1)c2c3ccc(cc3n[nH]2)Nc4ccccc4Cl	Q16539	P53779	7.7447274948966935	7.522878745280337	0.22184874961635614	Same Family
[P12931, Q16539]	CC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	Q16539	P12931	6.966576244513051	7.366531544420414	0.3999552999073632	Different Group
[P12931, Q16539]	CC(=O)Nc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	Q16539	P12931	6.600326278518962	6.823908740944319	0.22358246242535706	Different Group
[P12931, Q16539]	CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	Q16539	P12931	6.52432881167557	6.671620396561262	0.14729158488569194	Different Group
[P12931, Q16539]	CCc1cccc(c1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	Q16539	P12931	6.123782159408358	6.6307841425898575	0.5070019831814996	Different Group
[P12931, Q16539]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q16539	P12931	4.919012953089113	5.363512103646634	0.44449915055752154	Different Group
[P12931, Q16539]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	Q16539	P12931	6.638272163982407	6.537602002101044	0.10067016188136257	Different Group
[P12931, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	Q16539	P12931	5.431798275933005	5.2403321553103694	0.19146612062263557	Different Group
[P12931, Q16539]	Cc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	Q16539	P12931	6.311580177997289	6.308034897232639	0.003545280764649661	Different Group
[P12931, Q16539]	Cc1ccc(cc1N)Nc2ncc(c(n2)NC)C(=O)Nc3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F	Q16539	P12931	7.2076083105017466	7.045757490560675	0.16185081994107176	Different Group
[P12931, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	Q16539	P12931	8.045757490560675	7.769551078621726	0.2762064119389489	Different Group
[P12931, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	Q16539	P12931	8.522878745280337	8.698970004336019	0.17609125905568135	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P12931	6.494850021680094	8.522878745280337	2.0280287236002437	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P12931	5.7447274948966935	7.008773924307505	1.2640464294108114	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P12931	5.920818753952375	7.886056647693163	1.9652378937407882	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	Q16539	P12931	6.366531544420414	9.0	2.633468455579586	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	Q16539	P12931	6.275724130399211	9.0	2.724275869600789	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	Q16539	P12931	6.7447274948966935	9.0	2.2552725051033065	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	Q16539	P12931	5.920818753952375	8.698970004336019	2.778151250383644	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	Q16539	P12931	6.0	8.698970004336019	2.6989700043360187	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	Q16539	P12931	5.167491087293763	7.920818753952375	2.7533276666586115	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	Q16539	P12931	5.886056647693163	8.301029995663981	2.414973347970818	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	Q16539	P12931	6.356547323513812	8.698970004336019	2.3424226808222066	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	Q16539	P12931	5.638272163982407	8.698970004336019	3.060697840353612	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P12931	5.886056647693163	8.221848749616356	2.335792101923193	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	Q16539	P12931	5.6777807052660805	8.397940008672037	2.720159303405957	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	Q16539	P12931	5.6777807052660805	8.397940008672037	2.720159303405957	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	Q16539	P12931	5.494850021680094	8.154901959985743	2.6600519383056493	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	Q16539	P12931	5.522878745280337	8.221848749616356	2.6989700043360187	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P12931	6.130768280269024	7.853871964321762	1.723103684052738	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P12931	5.096910013008056	6.301029995663981	1.204119982655925	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P12931	6.795880017344075	8.0	1.204119982655925	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P12931	6.376750709602099	8.397940008672037	2.0211892990699383	Different Group
[P12931, Q16539]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	Q16539	P12931	6.698970004336019	9.0	2.3010299956639813	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)C(=O)N5CCN(CC5)C	Q16539	P12931	8.0	7.455931955649724	0.5440680443502757	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)CCO	Q16539	P12931	6.958607314841775	8.036212172654444	1.0776048578126698	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)I	Q16539	P12931	6.649751981665837	6.467245621007502	0.18250636065833437	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N	Q16539	P12931	7.292429823902063	7.443697499232713	0.1512676753306499	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCN	Q16539	P12931	7.468521082957745	7.7447274948966935	0.2762064119389489	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NC(=O)CCl	Q16539	P12931	6.8696662315049934	6.363512103646634	0.506154127858359	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)NCC(CO)O	Q16539	P12931	7.494850021680094	7.42021640338319	0.07463361829690385	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)O	Q16539	P12931	6.978810700930062	6.651695136951839	0.3271155639782224	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)OC5C(C(C(C(O5)CO)O)O)O	Q16539	P12931	7.823908740944319	7.522878745280337	0.30102999566398125	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	Q16539	P12931	6.853871964321762	7.806091604354698	0.9522196400329364	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)COCC(CO)O	Q16539	P12931	6.481486060122113	7.180456064458132	0.6989700043360187	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)N	Q16539	P12931	6.876148359032914	7.42021640338319	0.5440680443502757	Different Group
[P12931, Q16539]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)O	Q16539	P12931	6.728158393463501	7.366531544420414	0.6383731509569124	Different Group
[P12931, Q16539]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Br)NCc4c[nH]nn4)Cl)F	Q16539	P12931	5.443697499232713	4.38933983691012	1.0543576623225928	Different Group
[P12931, Q16539]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	Q16539	P12931	4.950781977329818	4.701146923590294	0.24963505373952444	Different Group
[P12931, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q16539	P12931	7.958607314841775	8.102372908709558	0.14376559386778354	Different Group
[P35968, Q16539]	CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	Q16539	P35968	7.119186407719209	6.51427857351842	0.6049078342007883	Different Group
[P35968, Q16539]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	Q16539	P35968	6.638272163982407	7.926935982160881	1.288663818178474	Different Group
[P35968, Q16539]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	Q16539	P35968	5.431798275933005	5.107905397309519	0.3238928786234858	Different Group
[P35968, Q16539]	Cc1ccc(cc1Nc2ccnc3c2cc(cc3)C(F)(F)F)O	Q16539	P35968	5.966576244513051	7.0	1.0334237554869494	Different Group
[P35968, Q16539]	Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O	Q16539	P35968	6.301029995663981	6.730487055782084	0.4294570601181027	Different Group
[P35968, Q16539]	Cc1ccc(cc1Nc2ccnc3c2cc(cc3)c4cccnc4)O	Q16539	P35968	5.42712839779952	6.337242168318426	0.9101137705189055	Different Group
[P35968, Q16539]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)NC(=O)c4cccc(c4)OC(C(F)F)(F)F	Q16539	P35968	6.7121982700697735	5.366531544420414	1.3456667256493597	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N(C)CCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	7.187086643357144	6.534617148551582	0.6524694948055627	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	Q16539	P35968	8.221848749616356	8.698970004336019	0.4771212547196626	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4C)C(F)(F)F	Q16539	P35968	6.962573502059376	7.823908740944319	0.8613352388849425	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CC(C5=O)(C)C)C(F)(F)F	Q16539	P35968	6.764471553092451	6.443697499232713	0.3207740538597381	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	Q16539	P35968	6.774690718274138	5.849243560139691	0.925447158134447	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4N5CCN(C5=O)C)C(F)(F)F	Q16539	P35968	8.397940008672037	6.336299074610352	2.0616409340616855	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4NC(=O)NCCN5CCOCC5)C(F)(F)F	Q16539	P35968	7.508638306165727	7.327902142064283	0.180736164101444	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	Q16539	P35968	8.045757490560675	7.769551078621726	0.2762064119389489	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	Q16539	P35968	7.853871964321762	8.522878745280337	0.6690067809585756	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(c(c4C)C(F)(F)F)Cl	Q16539	P35968	6.856985199745905	7.6777807052660805	0.8207955055201754	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4ccc(cc4)OC5CCN(CC5)C	Q16539	P35968	7.031517051446065	8.096910013008056	1.065392961561991	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	Q16539	P35968	8.698970004336019	9.0	0.30102999566398125	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4C)C(F)(F)F	Q16539	P35968	7.301029995663981	8.096910013008056	0.795880017344075	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc5c4CCC5	Q16539	P35968	7.6777807052660805	7.318758762624412	0.3590219426416681	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	Q16539	P35968	8.301029995663981	7.2839966563652006	1.0170333392987807	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)NC(=O)c4cccc(c4)C(F)(F)F	Q16539	P35968	9.045757490560675	8.301029995663981	0.7447274948966935	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)Nc4[nH]c5ccc(cc5n4)C(F)(F)F	Q16539	P35968	6.557520230935552	5.842241113953136	0.7152791169824155	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	8.698970004336019	8.221848749616356	0.4771212547196626	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CCN(CC4)C)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	8.698970004336019	6.987162775294828	1.7118072290411908	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	7.6020599913279625	8.154901959985743	0.5528419686577806	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	8.154901959985743	6.609064892896621	1.5458370670891224	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCCCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	8.045757490560675	6.761953896871205	1.2838035936894698	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	Q16539	P35968	8.522878745280337	9.0	0.4771212547196626	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	7.3979400086720375	7.823908740944319	0.42596873227228116	Different Group
[P35968, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)Nc4ccccc4)C(=O)Nc5cccc(c5C)C(F)(F)F	Q16539	P35968	7.2441251443275085	8.397940008672037	1.153814864344529	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P35968	6.494850021680094	6.376750709602099	0.11809931207799451	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P35968	5.7447274948966935	6.229147988357856	0.48442049346116267	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P35968	5.920818753952375	5.318758762624412	0.6020599913279625	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	Q16539	P35968	6.366531544420414	6.769551078621726	0.4030195342013121	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	Q16539	P35968	6.275724130399211	6.853871964321762	0.578147833922551	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	Q16539	P35968	6.7447274948966935	6.638272163982407	0.1064553309142866	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	Q16539	P35968	5.920818753952375	6.769551078621726	0.848732324669351	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	Q16539	P35968	6.0	6.585026652029182	0.5850266520291818	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	Q16539	P35968	5.167491087293763	6.2076083105017466	1.0401172232079832	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	Q16539	P35968	5.886056647693163	6.229147988357856	0.34309134066469316	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	Q16539	P35968	6.356547323513812	6.853871964321762	0.4973246408079497	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	Q16539	P35968	5.638272163982407	6.6777807052660805	1.0395085412836735	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P35968	5.886056647693163	6.1938200260161125	0.3077633783229494	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	Q16539	P35968	5.6777807052660805	6.638272163982407	0.9604914587163265	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	Q16539	P35968	5.6777807052660805	6.657577319177793	0.9797966139117129	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	Q16539	P35968	5.494850021680094	6.455931955649724	0.9610819339696306	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	Q16539	P35968	5.522878745280337	6.2441251443275085	0.7212463990471711	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P35968	6.130768280269024	6.886056647693163	0.7552883674241393	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	Q16539	P35968	5.096910013008056	5.721246399047171	0.6243363860391149	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P35968	6.795880017344075	6.721246399047171	0.07463361829690385	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	Q16539	P35968	6.376750709602099	6.721246399047171	0.3444956894450719	Different Group
[P35968, Q16539]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	Q16539	P35968	6.698970004336019	6.698970004336019	0.0	Different Group
[P35968, Q16539]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N	Q16539	P35968	6.392544976785332	6.354577730650908	0.03796724613442404	Different Group
[P35968, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4	Q16539	P35968	5.713007529743923	7.013228265733755	1.3002207359898321	Different Group
[P35968, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)Cc3cccc(c3)C(=O)N)c4ccc5c(c4)nccn5	Q16539	P35968	5.8426451535224135	5.61261017366127	0.23003497986114319	Different Group
[P35968, Q16539]	Cc1ccccc1c2ccc3c(c2)cnc(n3)N	Q16539	P35968	5.408601448718751	5.303993284781455	0.10460816393729644	Different Group
[P35968, Q16539]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	Q16539	P35968	6.221848749616356	6.795880017344075	0.5740312677277188	Different Group
[P35968, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	Q16539	P35968	5.318758762624412	6.356547323513812	1.0377885608893997	Different Group
[P35968, Q16539]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	Q16539	P35968	4.036212172654444	6.113509274827518	2.0772971021730733	Different Group
[P35968, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q16539	P35968	7.958607314841775	8.113509274827518	0.15490195998574308	Different Group
[P35968, Q16539]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	Q16539	P35968	4.455931955649724	6.180456064458132	1.7245241088084073	Different Group
[P48730, Q16539]	C#Cc1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4	Q16539	P48730	5.027334407733889	4.701146923590294	0.32618748414359544	Different Group
[P48730, Q16539]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	Q16539	P48730	4.482804102050026	4.610833915635467	0.1280298135854414	Different Group
[P48730, Q16539]	CCOP(=O)(CCn1cc(nn1)c2ccn3c(c(nc3n2)c4ccc(cc4)F)c5ccnc(n5)SC)OCC	Q16539	P48730	4.920818753952375	4.669586226650809	0.25123252730156587	Different Group
[P48730, Q16539]	CCOP(=O)(CCn1cc(nn1)c2nc(c(n2C)c3ccncc3)c4ccc(cc4)F)OCC	Q16539	P48730	5.605548319173784	5.508638306165727	0.09691001300805713	Different Group
[P48730, Q16539]	CSc1nccc(n1)c2c(nc([nH]2)c3ccc(cc3)C#C)c4ccc(cc4)F	Q16539	P48730	4.085656842880559	4.178486471595227	0.09282962871466793	Different Group
[P48730, Q16539]	CSc1nccc(n1)c2c(nc([nH]2)c3ccc(cc3)O)c4ccc(cc4)F	Q16539	P48730	7.019996628416254	5.2247537402597635	1.7952428881564906	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2c[nH]nn2)c3ccc(cc3)F)c4ccncc4	Q16539	P48730	6.765826334793921	6.694648630553377	0.07117770424054459	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)C3C(C(C(OC3O)CO)O)O)c4ccc(cc4)F)c5ccncc5	Q16539	P48730	6.070070739759503	6.357535479757878	0.2874647399983754	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)C3CCNCC3F)c4ccc(cc4)F)c5ccncc5	Q16539	P48730	7.017728766960432	6.359518563029578	0.6582102039308539	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)CCO)c3ccc(cc3)F)c4ccncc4	Q16539	P48730	6.203634116803019	6.619788758288394	0.41615464148537473	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)CCP(=O)(O)O)c3ccc(cc3)F)c4ccncc4	Q16539	P48730	6.459056430288225	6.647817481888637	0.18876105160041234	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)c3ccc(cc3)C(=O)O)c4ccc(cc4)F)c5ccncc5	Q16539	P48730	6.816881938140853	5.795880017344075	1.0210019207967784	Different Group
[P48730, Q16539]	Cn1c(c(nc1c2cn(nn2)c3cccc(c3)C(=O)O)c4ccc(cc4)F)c5ccncc5	Q16539	P48730	6.886893439637946	7.050609993355087	0.16371655371714056	Different Group
[P48730, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	Q16539	P48730	5.531652669587842	4.605548319173784	0.9261043504140583	Different Group
[P48730, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	Q16539	P48730	5.304518323509803	4.705533773838407	0.5989845496713961	Different Group
[P48730, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	Q16539	P48730	5.5968794788241825	4.91721462968355	0.6796648491406323	Different Group
[P48730, Q16539]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	Q16539	P48730	5.943095148663527	4.920818753952375	1.0222763947111524	Different Group
[P48730, Q16539]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	Q16539	P48730	5.166852888087215	4.673664139071248	0.49318874901596654	Different Group
[P48730, Q16539]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	Q16539	P48730	4.730487055782084	4.747146969020107	0.01665991323802274	Different Group
[P48730, Q16539]	c1ccnc(c1)c2c(nc([nH]2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCCO5	Q16539	P48730	5.179641422730119	6.522878745280337	1.3432373225502188	Different Group
[O60674, Q16539]	C#Cc1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4	Q16539	O60674	5.027334407733889	4.844663962534939	0.18267044519895048	Different Group
[O60674, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q16539	O60674	7.978810700930062	9.060955120789046	1.0821444198589845	Different Group
[O60674, Q16539]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	Q16539	O60674	4.482804102050026	6.453457336521869	1.9706532344718433	Different Group
[O60674, Q16539]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	Q16539	O60674	6.638272163982407	5.920818753952375	0.717453410030032	Different Group
[O60674, Q16539]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	Q16539	O60674	6.275724130399211	6.619788758288394	0.3440646278891828	Different Group
[O60674, Q16539]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	Q16539	O60674	5.318758762624412	5.958607314841775	0.6398485522173623	Different Group
[O60674, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	Q16539	O60674	5.531652669587842	6.562249437179612	1.0305967675917698	Different Group
[O60674, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	Q16539	O60674	5.304518323509803	6.040481623027001	0.7359632995171985	Different Group
[O60674, Q16539]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	Q16539	O60674	5.5968794788241825	7.214670164989233	1.6177906861650504	Different Group
[O60674, Q16539]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	Q16539	O60674	5.943095148663527	5.1791420105603	0.7639531381032274	Different Group
[O60674, Q16539]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	Q16539	O60674	5.166852888087215	5.430626090384954	0.26377320229773904	Different Group
[O60674, Q16539]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	Q16539	O60674	4.730487055782084	6.301029995663981	1.5705429398818973	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.397940008672037	8.397940008672037	0.0	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)OC)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.301029995663981	8.301029995663981	0.0	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4ncc(=O)[nH]5	Q16539	P08631	8.698970004336019	8.397940008672037	0.30102999566398125	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.154901959985743	7.619788758288394	0.5351132016973494	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CS(=O)(=O)NC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.154901959985743	8.522878745280337	0.3679767852945943	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.522878745280337	6.037157318798758	2.4857214264815797	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)O)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.397940008672037	7.7447274948966935	0.653212513775344	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4n(c(=O)[nH]5)C	Q16539	P08631	8.154901959985743	8.397940008672037	0.24303804868629442	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	7.920818753952375	7.657577319177793	0.2632414347745815	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)cn6)ncn5	Q16539	P08631	7.769551078621726	6.339134521996131	1.4304165566255946	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P08631	8.221848749616356	8.522878745280337	0.30102999566398125	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)S(=O)(=O)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.301029995663981	8.522878745280337	0.22184874961635614	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)SC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.301029995663981	8.397940008672037	0.09691001300805624	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.221848749616356	8.522878745280337	0.30102999566398125	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P08631	8.154901959985743	8.301029995663981	0.14612803567823818	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.698970004336019	8.522878745280337	0.17609125905568135	Different Group
[P08631, Q16539]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccn4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P08631	7.7447274948966935	8.154901959985743	0.41017446508904953	Different Group
[P08631, Q16539]	CC(C)n1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	Q16539	P08631	7.958607314841775	8.096910013008056	0.1383026981662816	Different Group
[P08631, Q16539]	CCn1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	Q16539	P08631	8.698970004336019	8.301029995663981	0.3979400086720375	Different Group
[P08631, Q16539]	Cc1c(=O)[nH]c2c(n1)c(ccn2)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccccc6)C(C)(C)C	Q16539	P08631	8.522878745280337	8.522878745280337	0.0	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)(C)c5ccnc(c5)NC(=O)COC	Q16539	P08631	7.42021640338319	5.067932307799278	2.3522840955839115	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)c5ccnc(c5)NC(=O)COC	Q16539	P08631	7.2839966563652006	6.09312646527793	1.1908701910872708	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)N	Q16539	P08631	7.221848749616356	6.081445469449727	1.1404032801666295	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)C	Q16539	P08631	7.958607314841775	7.086186147616283	0.8724211672254913	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)COC	Q16539	P08631	7.508638306165727	6.785156151952302	0.7234821542134249	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)NC	Q16539	P08631	8.221848749616356	7.585026652029182	0.6368220975871743	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)OC	Q16539	P08631	7.886056647693163	7.585026652029182	0.30102999566398125	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5	Q16539	P08631	7.769551078621726	6.045275209020937	1.7242758696007892	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5N	Q16539	P08631	7.958607314841775	6.204119982655925	1.7544873321858496	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)C	Q16539	P08631	8.096910013008056	6.31695296176115	1.7799570512469058	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)COC	Q16539	P08631	8.522878745280337	5.951946826884391	2.5709319183959467	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCn5ccnc5	Q16539	P08631	7.657577319177793	5.306536872780469	2.3510404463973247	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCn5ccnc5NC(=O)C	Q16539	P08631	8.221848749616356	5.492009275180308	2.729839474436048	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)N(C)C(=O)COC	Q16539	P08631	7.568636235841013	5.06183065360968	2.5068055822313333	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)C	Q16539	P08631	8.698970004336019	7.292429823902063	1.4065401804339555	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN(C)C	Q16539	P08631	9.0	6.705533773838407	2.2944662261615933	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN6CCOCC6	Q16539	P08631	8.698970004336019	6.728158393463501	1.9708116108725173	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)COC	Q16539	P08631	8.301029995663981	7.305949399214741	0.99508059644924	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CS(=O)(=O)C	Q16539	P08631	8.096910013008056	6.958607314841775	1.1383026981662816	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CSC	Q16539	P08631	8.698970004336019	6.681936665037238	2.0170333392987807	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)Cc6ccccc6	Q16539	P08631	8.045757490560675	6.1598939055432425	1.8858635850174323	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)c6ccccc6	Q16539	P08631	7.619788758288394	4.876442341996051	2.7433464162923427	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NS(=O)(=O)C	Q16539	P08631	7.7447274948966935	5.669383332705562	2.075344162191132	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)[nH]6)ncn5	Q16539	P08631	7.522878745280337	7.443697499232713	0.07918124604762422	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc(c5)NC(=O)COC	Q16539	P08631	7.920818753952375	8.522878745280337	0.6020599913279625	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P08631	9.0	8.698970004336019	0.30102999566398125	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5nc(c(=O)[nH]6)C	Q16539	P08631	8.154901959985743	8.301029995663981	0.14612803567823818	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.522878745280337	8.522878745280337	0.0	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.698970004336019	8.397940008672037	0.30102999566398125	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C3(CC3)C)NC(=O)Nc4ccc(c5c4cccc5)Oc6ccnc7c6ncc(=O)[nH]7	Q16539	P08631	8.301029995663981	8.397940008672037	0.09691001300805624	Different Group
[P08631, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C3CC3)NC(=O)Nc4ccc(c5c4cccc5)Oc6ccnc7c6ncc(=O)[nH]7	Q16539	P08631	8.698970004336019	8.045757490560675	0.653212513775344	Different Group
[P08631, Q16539]	Cc1ccc(s1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P08631	8.698970004336019	8.522878745280337	0.17609125905568135	Different Group
[P27361, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q16539	P27361	7.978810700930062	5.557706710078303	2.4211039908517584	Same Family
[P27361, Q16539]	CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)c6cc(nc(n6)N7CCCC7)N8CCCC8)C)C	Q16539	P27361	5.130416292286577	4.788826043271506	0.34159024901507085	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	Q16539	P27361	7.356547323513813	7.327902142064283	0.0286451814495301	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	Q16539	P27361	8.346787486224656	7.455931955649724	0.8908555305749317	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)OC)C2=O)c5ccccc5	Q16539	P27361	7.638272163982407	7.6777807052660805	0.03950854128367354	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	Q16539	P27361	6.450996737974212	7.638272163982407	1.1872754260081946	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	Q16539	P27361	8.327902142064282	7.619788758288394	0.7081133837758884	Same Family
[P27361, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	Q16539	P27361	7.468521082957745	7.366531544420414	0.10198953853733084	Same Family
[P27361, Q16539]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P27361	6.462180904926726	7.638272163982407	1.1760912590556813	Same Family
[P27361, Q16539]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P27361	8.366531544420413	7.119186407719209	1.2473451367012043	Same Family
[P27361, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	Q16539	P27361	8.337242168318426	7.022276394711152	1.3149657736072733	Same Family
[P27361, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	Q16539	P27361	8.431798275933005	7.050609993355087	1.3811882825779183	Same Family
[P27361, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	Q16539	P27361	7.455931955649724	7.187086643357144	0.26884531229258	Same Family
[P27361, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	Q16539	P27361	8.2518119729938	7.060480747381382	1.1913312256124176	Same Family
[P27361, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	Q16539	P27361	7.267606240177032	7.337242168318426	0.06963592814139385	Same Family
[P27361, Q16539]	COc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P27361	8.187086643357144	7.2441251443275085	0.9429614990296358	Same Family
[P27361, Q16539]	Cc1c(c2c(c(c1O)C)CCC(O2)(C)CN3CCN(CC3)c4cc(nc(n4)N5CCCC5)N6CCCC6)C	Q16539	P27361	5.25212229418021	5.30434324006381	0.052220945883600045	Same Family
[P27361, Q16539]	Cc1c(cccc1O)C(=O)NC(CSc2ccccc2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O	Q16539	P27361	4.739356293264975	4.6477595798177695	0.09159671344720532	Same Family
[P27361, Q16539]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P27361	6.462180904926726	7.638272163982407	1.1760912590556813	Same Family
[P27361, Q16539]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P27361	8.346787486224656	7.6020599913279625	0.7447274948966935	Same Family
[P27361, Q16539]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P27361	7.113509274827518	7.050609993355087	0.06289928147243096	Same Family
[P27361, Q16539]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P27361	7.060480747381382	7.698970004336019	0.638489256954637	Same Family
[P27361, Q16539]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P27361	7.251811972993799	7.494850021680094	0.24303804868629442	Same Family
[P27361, Q16539]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P27361	7.180456064458132	7.366531544420414	0.18607547996228213	Same Family
[P27361, Q16539]	Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	Q16539	P27361	6.452225294612178	5.358922686674625	1.0933026079375523	Same Family
[P27361, Q16539]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	Q16539	P27361	7.057495893831919	5.6047784794264865	1.4527174144054325	Same Family
[P27361, Q16539]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	Q16539	P27361	6.425968732272281	5.3923305633117575	1.0336381689605236	Same Family
[P27361, Q16539]	c1cc2c(cc(c(c2nc1)O)I)I	Q16539	P27361	6.438898616350944	5.278684119394101	1.1602144969568426	Same Family
[P27361, Q16539]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	Q16539	P27361	7.958607314841775	5.940815382368629	2.0177919324731457	Same Family
[Q15759, Q16539]	CCC(C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC	Q16539	Q15759	8.497381376101389	8.761439372640169	0.2640579965387797	Same Family
[Q15759, Q16539]	CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4	Q16539	Q15759	7.638272163982407	5.149721447481963	2.488550716500444	Same Family
[Q15759, Q16539]	CNCC(=O)NCCCN(c1ccccc1Cl)c2ccc(=O)n(n2)c3ccccc3Cl	Q16539	Q15759	7.455931955649724	7.5376020021010435	0.08167004645131914	Same Family
[Q15759, Q16539]	COc1ccc(c(c1OC)OC)CNCCCN(c2ccccc2Cl)c3ccc(=O)n(n3)c4ccccc4Cl	Q16539	Q15759	6.309803919971486	6.221848749616356	0.08795517035513001	Same Family
[Q15759, Q16539]	COc1ccccc1Nc2ccc(=O)n(n2)c3ccccc3Cl	Q16539	Q15759	5.619788758288394	6.036212172654444	0.4164234143660508	Same Family
[Q15759, Q16539]	Cc1cc(ccc1n2c(=O)ccc(n2)Sc3ccc(cc3F)F)Cl	Q16539	Q15759	6.508638306165727	6.070581074285707	0.43805723188001977	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(o2)c3ccc(cc3)Cl)C(=O)NC4CC4	Q16539	Q15759	7.337242168318426	5.411728293157671	1.925513875160755	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3cc(cnc3)F)C(=O)NC4CC4	Q16539	Q15759	8.113509274827518	5.619426996933113	2.494082277894405	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)C#N)C(=O)NC4CC4	Q16539	Q15759	8.301029995663981	6.080921907623926	2.220108088040055	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)C(=O)N(C)C)C(=O)NC4CC4	Q16539	Q15759	8.42021640338319	6.355561410532162	2.064654992851028	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)C(=O)N4CCCCC4)C(=O)NC5CC5	Q16539	Q15759	9.096910013008056	6.962573502059376	2.13433651094868	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)C(=O)N4CCOCC4)C(=O)NC5CC5	Q16539	Q15759	9.698970004336019	7.0915149811213505	2.6074550232146683	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)C(F)(F)F)C(=O)NC4CC4	Q16539	Q15759	8.42021640338319	5.461551948289783	2.958664455093407	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)CN(C)C)C(=O)NC4CC4	Q16539	Q15759	8.065501548756432	5.8198741248359465	2.245627423920485	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)CO)C(=O)NC4CC4	Q16539	Q15759	8.267606240177031	6.478861916295964	1.7887443238810672	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)Cl)C(=O)NC4CC4	Q16539	Q15759	8.698970004336019	6.568636235841013	2.1303337684950057	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)F)C(=O)NC4CC4	Q16539	Q15759	8.096910013008056	6.314258261397736	1.7826517516103202	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)N)C(=O)NC4CC4	Q16539	Q15759	8.397940008672037	6.308034897232639	2.089905111439398	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)O)C(=O)NC4CC4	Q16539	Q15759	8.387216143280265	6.4089353929735005	1.978280750306764	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(cc3)OC)C(=O)NC4CC4	Q16539	Q15759	8.387216143280265	6.573488738635425	1.8137274046448395	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccc(nc3)C)C(=O)NC4CC4	Q16539	Q15759	8.113509274827518	6.388276691992658	1.7252325828348596	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3cccc(c3)Cl)C(=O)NC4CC4	Q16539	Q15759	8.050609993355087	6.168130225719499	1.882479767635588	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3)C(=O)NC4CC4	Q16539	Q15759	7.853871964321762	5.99097425791309	1.8628977064086722	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4	Q16539	Q15759	8.318758762624412	6.576754126063192	1.7420046365612203	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccn3)C(=O)NC4CC4	Q16539	Q15759	7.3872161432802645	5.167554958825889	2.2196611844543757	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3cccnc3)C(=O)NC4CC4	Q16539	Q15759	7.886056647693163	5.7447274948966935	2.1413291527964695	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccncc3)C(=O)NC4CC4	Q16539	Q15759	7.958607314841775	6.112945621949043	1.8456616928927314	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(s2)c3cnccc3N4CCOCC4)C(=O)NC5CC5	Q16539	Q15759	8.55284196865778	6.5951662833800615	1.957675685277719	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc3cc[nH]c3c2)C(=O)NC4CC4	Q16539	Q15759	7.494850021680094	5.20950372303289	2.2853462986472035	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc3ccn(c3c2)C(C)C)C(=O)NC4CC4	Q16539	Q15759	7.468521082957745	4.827105302247824	2.641415780709921	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2ccc3ccn(c3c2)C)C(=O)NC4CC4	Q16539	Q15759	7.455931955649724	4.659159450187668	2.796772505462056	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4	Q16539	Q15759	8.154901959985743	7.7447274948966935	0.41017446508904953	Same Family
[Q15759, Q16539]	Cc1ccc(cc1NC(=O)c2cnn(c2C)c3c(cccn3)C(F)(F)F)C(=O)NC4CC4	Q16539	Q15759	8.397940008672037	8.397940008672037	0.0	Same Family
[Q15759, Q16539]	Cc1ccc(cc1Nc2nc(nc(n2)N(C)CC(C)(C)C)N3CCCN(CC3)C)C(=O)NOC	Q16539	Q15759	7.356547323513813	7.657577319177793	0.30102999566398037	Same Family
[Q15759, Q16539]	Cc1ccccc1Nc2ccc(=O)n(n2)c3ccccc3Cl	Q16539	Q15759	6.119186407719209	6.346787486224656	0.22760107850544742	Same Family
[Q15759, Q16539]	c1cc(c(c(c1)Cl)CC(=O)Nc2c(c(no2)c3ccc(cc3)F)c4ccncn4)F	Q16539	Q15759	7.962573502059376	6.486782399932061	1.4757911021273156	Same Family
[Q15759, Q16539]	c1cc(ccc1c2c(c(on2)N)c3ccncn3)F	Q16539	Q15759	6.101274818410507	5.0126019008629825	1.088672917547524	Same Family
[Q15759, Q16539]	c1ccc(c(c1)Nc2ccc(=O)n(n2)c3ccccc3Cl)Cl	Q16539	Q15759	6.102372908709558	6.00436480540245	0.09800810330710785	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCCN)c3ccccc3Cl)Cl	Q16539	Q15759	6.705533773838407	6.675717544702307	0.029816229136099714	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCCNC(=O)C3CCC(CC3)C(F)(F)F)c4ccccc4Cl)Cl	Q16539	Q15759	7.698970004336019	8.698970004336019	1.0	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCCNC(=O)C3CCNCC3)c4ccccc4Cl)Cl	Q16539	Q15759	8.096910013008056	7.5376020021010435	0.5593080109070128	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCCNC(=O)CC3CCCN3)c4ccccc4Cl)Cl	Q16539	Q15759	7.958607314841775	7.508638306165727	0.4499690086760477	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCCNC(=O)CN)c3ccccc3Cl)Cl	Q16539	Q15759	7.698970004336019	7.3872161432802645	0.3117538610557542	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)N(CCO)c3ccc(cc3Cl)F)Cl	Q16539	Q15759	6.774690718274138	6.8696662315049934	0.09497551323085585	Same Family
[Q15759, Q16539]	c1ccc(c(c1)n2c(=O)ccc(n2)Sc3ccccc3F)Cl	Q16539	Q15759	6.853871964321762	6.346787486224656	0.5070844780971058	Same Family
[Q15759, Q16539]	c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)c4ccc(=O)n(n4)c5ccccc5Cl	Q16539	Q15759	8.045757490560675	7.698970004336019	0.34678748622465605	Same Family
[Q15759, Q16539]	c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccccc3Cl)c4ccc(=O)n(n4)c5ccccc5Cl	Q16539	Q15759	8.301029995663981	7.823908740944319	0.4771212547196626	Same Family
[P28482, Q16539]	CC(C)(C(=O)O)Oc1ccc(cc1)C2CCCc3c2cccc3	Q16539	P28482	5.427070340920628	6.088789106862447	0.6617187659418189	Same Family
[P28482, Q16539]	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	Q16539	P28482	5.597051170655595	6.2874677705103315	0.6904165998547365	Same Family
[P28482, Q16539]	CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br	Q16539	P28482	5.9083330424043154	5.710857164067667	0.1974758783366486	Same Family
[P28482, Q16539]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q16539	P28482	4.919012953089113	5.201349354554731	0.282336401465618	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	Q16539	P28482	7.356547323513813	8.346787486224656	0.990240162710843	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	Q16539	P28482	8.346787486224656	8.154901959985743	0.19188552623891297	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)OC)C2=O)c5ccccc5	Q16539	P28482	7.638272163982407	7.6777807052660805	0.03950854128367354	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	Q16539	P28482	6.450996737974212	7.638272163982407	1.1872754260081946	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	Q16539	P28482	8.327902142064282	8.455931955649724	0.1280298135854423	Same Family
[P28482, Q16539]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	Q16539	P28482	7.468521082957745	7.050609993355087	0.4179110896026579	Same Family
[P28482, Q16539]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P28482	6.462180904926726	8.638272163982407	2.1760912590556813	Same Family
[P28482, Q16539]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P28482	8.366531544420413	8.366531544420413	0.0	Same Family
[P28482, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	Q16539	P28482	8.337242168318426	8.337242168318426	0.0	Same Family
[P28482, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	Q16539	P28482	8.431798275933005	8.468521082957745	0.03672280702473962	Same Family
[P28482, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	Q16539	P28482	7.455931955649724	7.267606240177032	0.1883257154726925	Same Family
[P28482, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	Q16539	P28482	8.2518119729938	8.275724130399212	0.023912157405412415	Same Family
[P28482, Q16539]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	Q16539	P28482	7.267606240177032	8.327902142064282	1.0602959018872502	Same Family
[P28482, Q16539]	COc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P28482	8.187086643357144	8.267606240177031	0.08051959681988663	Same Family
[P28482, Q16539]	Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl	Q16539	P28482	6.1830961606243395	5.845271792559845	0.3378243680644948	Same Family
[P28482, Q16539]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P28482	6.462180904926726	7.366531544420414	0.9043506394936882	Same Family
[P28482, Q16539]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P28482	8.346787486224656	8.494850021680094	0.14806253545543768	Same Family
[P28482, Q16539]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P28482	7.113509274827518	7.107905397309519	0.005603877517998512	Same Family
[P28482, Q16539]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P28482	7.060480747381382	7.366531544420414	0.30605079703903204	Same Family
[P28482, Q16539]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	Q16539	P28482	7.251811972993799	7.638272163982407	0.3864601909886076	Same Family
[P28482, Q16539]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	Q16539	P28482	7.180456064458132	7.356547323513813	0.17609125905568135	Same Family
[P28482, Q16539]	Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	Q16539	P28482	6.452225294612178	6.269217724333611	0.1830075702785665	Same Family
[P28482, Q16539]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	Q16539	P28482	7.057495893831919	6.707743928643524	0.34975196518839535	Same Family
[P28482, Q16539]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	Q16539	P28482	6.425968732272281	6.732828271596986	0.3068595393247051	Same Family
[P28482, Q16539]	c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	Q16539	P28482	6.497572880015567	6.414539270491499	0.08303360952406802	Same Family
[P28482, Q16539]	c1cc(c(cc1NC(=O)c2cc(cc(c2O)Cl)Cl)Cl)Cl	Q16539	P28482	5.662341108973858	6.052566278112949	0.3902251691390912	Same Family
[P28482, Q16539]	c1cc(ccc1NC(=O)c2cc(cc(c2O)Br)Br)Br	Q16539	P28482	6.145693958198919	6.205511953340831	0.05981799514191177	Same Family
[P28482, Q16539]	c1cc2c(cc(c(c2nc1)O)I)I	Q16539	P28482	6.438898616350944	6.531652669587842	0.09275405323689867	Same Family
[P28482, Q16539]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	Q16539	P28482	4.036212172654444	4.886056647693163	0.8498444750387186	Same Family
[P28482, Q16539]	c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	Q16539	P28482	4.060480747381382	5.337242168318426	1.276761420937044	Same Family
[P28482, Q16539]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	Q16539	P28482	4.455931955649724	5.3979400086720375	0.9420080530223132	Same Family
[P36897, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q16539	P36897	7.978810700930062	5.16304326294045	2.815767437989612	Different Group
[P36897, Q16539]	CCc1cccc(c1)NCc2[nH]c(c(n2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.928117992693875	8.096910013008056	2.1687920203141813	Different Group
[P36897, Q16539]	CCc1ccccc1NCc2[nH]c(c(n2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.815308569182402	7.958607314841775	2.143298745659373	Different Group
[P36897, Q16539]	Cc1c(ccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C#N)c4ccc5ncnn5c4)F	Q16539	P36897	5.906578314837765	8.114638779968487	2.208060465130722	Different Group
[P36897, Q16539]	Cc1c(ccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C(=O)N)c4ccc5ncnn5c4)F	Q16539	P36897	5.8297382846050425	7.966576244513051	2.136837959908008	Different Group
[P36897, Q16539]	Cc1c(ccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C=C)c4ccc5ncnn5c4)F	Q16539	P36897	5.7423214251308154	7.863279432843593	2.120958007712778	Different Group
[P36897, Q16539]	Cc1c(ccc(n1)c2c(nc([nH]2)CNc3ccccc3)c4ccc5ncnn5c4)F	Q16539	P36897	5.690369832574102	8.034798298974088	2.344428466399987	Different Group
[P36897, Q16539]	Cc1c(ccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4)F	Q16539	P36897	5.4723700991286615	7.903089986991944	2.4307198878632823	Different Group
[P36897, Q16539]	Cc1ccc(c(n1)c2c(nc([nH]2)CNc3cccc(c3)C#N)c4ccc5ncnn5c4)F	Q16539	P36897	6.679853713888946	8.034798298974088	1.3549445850851427	Different Group
[P36897, Q16539]	Cc1ccc(c(n1)c2c(nc([nH]2)CNc3cccc(c3)C(=O)N)c4ccc5ncnn5c4)F	Q16539	P36897	6.600326278518962	7.958607314841775	1.358281036322813	Different Group
[P36897, Q16539]	Cc1ccc(c(n1)c2c(nc([nH]2)CNc3cccc(c3)C=C)c4ccc5ncnn5c4)F	Q16539	P36897	6.767003889607846	8.008330992620051	1.241327103012205	Different Group
[P36897, Q16539]	Cc1ccc(c(n1)c2c(nc([nH]2)CNc3ccccc3)c4ccc5ncnn5c4)F	Q16539	P36897	6.399027104313252	8.010550182333308	1.6115230780200562	Different Group
[P36897, Q16539]	Cc1ccc(c(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4)F	Q16539	P36897	6.115771230367396	7.91721462968355	1.8014433993161543	Different Group
[P36897, Q16539]	Cc1cccc(c1)CNc2nc(c(s2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.270025714300444	7.950781977329818	2.680756263029374	Different Group
[P36897, Q16539]	Cc1cccc(c1)NCc2[nH]c(c(n2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.882728704344236	8.045757490560675	2.1630287862164392	Different Group
[P36897, Q16539]	Cc1cccc(c1C)NCc2[nH]c(c(n2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.45717457304082	7.7447274948966935	2.2875529218558732	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N	Q16539	P36897	6.392544976785332	7.158640529545145	0.766095552759813	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(cn(n2)CC(=S)Nc3cccc(c3)C#N)c4ccc5ncnn5c4	Q16539	P36897	5.291579099865287	7.7447274948966935	2.4531483950314064	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(cn(n2)CC(=S)Nc3ccccc3F)c4ccc5ncnn5c4	Q16539	P36897	5.283162276700476	7.5376020021010435	2.2544397254005677	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(cn(n2)CCC(=S)Nc3cccc(c3)C#N)c4ccc5c(c4)cccn5	Q16539	P36897	6.200659450546418	6.634512015109101	0.43385256456268273	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNC(=S)c3cccc(c3)C#N)c4ccc5ncnn5c4	Q16539	P36897	5.826813731587726	7.443697499232713	1.6168837676449872	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNC(=S)c3cccc(c3)C(=O)N)c4ccc5ncnn5c4	Q16539	P36897	5.548213564475709	7.657577319177793	2.109363754702084	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNC(=S)c3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.423658649794207	7.318758762624412	1.895100112830205	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNC(=S)c3ccccc3F)c4ccc5ncnn5c4	Q16539	P36897	5.978810700930062	7.568636235841013	1.5898255349109514	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)C#N)CN(C)C)c4ccc5ncnn5c4	Q16539	P36897	6.073657553374345	8.309803919971486	2.236146366597141	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)C#N)CN4CCCC4)c5ccc6ncnn6c5	Q16539	P36897	5.628932137728264	7.749579997691106	2.120647859962842	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)C#N)CN4CCOCC4)c5ccc6ncnn6c5	Q16539	P36897	6.4156687756324695	8.481486060122112	2.0658172844896425	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)C)C)c4ccc5ncnn5c4	Q16539	P36897	5.522878745280337	7.853871964321762	2.3309932190414244	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)Cl)Cl)c4ccc5ncnn5c4	Q16539	P36897	5.97061622231479	7.823908740944319	1.8532925186295284	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)F)F)c4ccc5ncnn5c4	Q16539	P36897	6.301029995663981	8.221848749616356	1.920818753952375	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)N(C)C)C#N)c4ccc5ncnn5c4	Q16539	P36897	6.405607449624573	8.585026652029182	2.179419202404609	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(cc(c3)OC)OC)c4ccc5ncnn5c4	Q16539	P36897	5.54515513999149	7.853871964321762	2.308716824330272	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3CN(C)C)C#N)c4ccc5ncnn5c4	Q16539	P36897	6.586700235918748	8.508638306165727	1.9219380702469788	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3CN4CCCC4)C#N)c5ccc6ncnn6c5	Q16539	P36897	6.273272790973428	8.167491087293763	1.8942182963203358	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3CN4CCOCC4)C#N)c5ccc6ncnn6c5	Q16539	P36897	6.374687549038327	8.318758762624412	1.9440712135860858	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3F)CN(C)C)c4ccc5ncnn5c4	Q16539	P36897	5.605548319173784	7.815308569182402	2.2097602500086175	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3F)N(C)C)c4ccc5ncnn5c4	Q16539	P36897	6.749579997691106	8.537602002101044	1.788022004409938	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cc(ccc3N(C)C)C#N)c4ccc5ncnn5c4	Q16539	P36897	6.847711655616943	8.886056647693163	2.0383449920762198	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccc(c(c3)Cl)Cl)c4ccc5ncnn5c4	Q16539	P36897	5.410050398674292	8.096910013008056	2.6868596143337644	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccc(c(c3)F)F)c4ccc5ncnn5c4	Q16539	P36897	5.903089986991944	8.0	2.0969100130080562	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccc(cc3)C#N)c4ccc5ncnn5c4	Q16539	P36897	5.1073489661227	7.494850021680094	2.3875010555573937	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccc(cc3)Cl)c4ccc5ncnn5c4	Q16539	P36897	5.031517051446065	7.958607314841775	2.9270902633957094	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccc(cc3)F)c4ccc5ncnn5c4	Q16539	P36897	5.405607449624573	7.769551078621726	2.363943628997153	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)Br)c4ccc5ncnn5c4	Q16539	P36897	6.060480747381382	8.301029995663981	2.2405492482825995	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C#N)c4ccc5c(c4)nccn5	Q16539	P36897	5.987162775294828	7.920818753952375	1.933655978657547	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C#N)c4ccc5ncnn5c4	Q16539	P36897	5.823908740944319	8.301029995663981	2.4771212547196626	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C(=O)C)c4ccc5ncnn5c4	Q16539	P36897	5.892790030352131	7.886056647693163	1.9932666173410318	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C(=O)N)c4ccc5ncnn5c4	Q16539	P36897	5.812479279163537	8.045757490560675	2.2332782113971374	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C(=O)OC)c4ccc5ncnn5c4	Q16539	P36897	5.856985199745905	7.769551078621726	1.9125658788758209	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C(C)C)c4ccc5ncnn5c4	Q16539	P36897	5.91721462968355	7.795880017344075	1.8786653876605248	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)C=C)c4ccc5ncnn5c4	Q16539	P36897	5.835647144215563	7.920818753952375	2.085171609736812	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)CC#N)c4ccc5ncnn5c4	Q16539	P36897	5.85078088734462	7.958607314841775	2.1078264274971543	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)Cl)c4ccc5ncnn5c4	Q16539	P36897	6.136677139879544	8.221848749616356	2.085171609736812	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)F)c4ccc5ncnn5c4	Q16539	P36897	6.086186147616283	8.045757490560675	1.9595713429443915	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)NC(=O)C)c4ccc5ncnn5c4	Q16539	P36897	5.400116927926312	7.823908740944319	2.4237918130180063	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)NS(=O)(=O)C)c4ccc5ncnn5c4	Q16539	P36897	5.6439741428068775	7.823908740944319	2.179934598137441	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)OC(F)(F)F)c4ccc5ncnn5c4	Q16539	P36897	5.730487055782084	7.638272163982407	1.907785108200323	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)OC)c4ccc5ncnn5c4	Q16539	P36897	5.614393726401688	7.853871964321762	2.239478237920074	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3)SC)c4ccc5ncnn5c4	Q16539	P36897	6.154901959985743	8.154901959985743	2.0	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3CN(C)C)C#N)c4ccc5ncnn5c4	Q16539	P36897	6.1555228242543185	8.619788758288394	2.464265934034075	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3CN4CCCC4)C#N)c5ccc6ncnn6c5	Q16539	P36897	5.616184634019569	8.2518119729938	2.6356273389742304	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3CN4CCOCC4)C#N)c5ccc6ncnn6c5	Q16539	P36897	5.651695136951839	8.09151498112135	2.4398198441695103	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3Cl)Cl)c4ccc5ncnn5c4	Q16539	P36897	5.063486257521107	7.920818753952375	2.857332496431268	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3F)CN(C)C)c4ccc5ncnn5c4	Q16539	P36897	5.386158178123931	7.958607314841775	2.572449136717844	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3F)CN4CCCC4)c5ccc6ncnn6c5	Q16539	P36897	5.3872161432802645	7.655607726314889	2.2683915830346244	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3F)CN4CCOCC4)c5ccc6ncnn6c5	Q16539	P36897	5.767003889607846	8.167491087293763	2.4004871976859175	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3cccc(c3F)F)c4ccc5ncnn5c4	Q16539	P36897	5.595166283380062	8.045757490560675	2.4505912071806124	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.640164517660112	7.886056647693163	2.2458921300330514	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3Br)c4ccc5ncnn5c4	Q16539	P36897	5.703334809738469	8.154901959985743	2.451567150247274	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3C#N)c4ccc5ncnn5c4	Q16539	P36897	5.438898616350944	7.698970004336019	2.260071387985075	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3C(=O)N)c4ccc5ncnn5c4	Q16539	P36897	5.404503778174425	7.522878745280337	2.118374967105912	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3C(C)C)c4ccc5ncnn5c4	Q16539	P36897	5.958607314841775	7.853871964321762	1.8952646494799872	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3C=C)c4ccc5ncnn5c4	Q16539	P36897	5.688246138944246	7.853871964321762	2.165625825377516	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4	Q16539	P36897	5.713007529743923	7.983997180562944	2.270989650819021	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3NC(=O)C)c4ccc5ncnn5c4	Q16539	P36897	5.548213564475709	7.3979400086720375	1.8497264441963281	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3NS(=O)(=O)C)c4ccc5ncnn5c4	Q16539	P36897	5.787812395596042	7.823908740944319	2.0360963453482768	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3OC(F)(F)F)c4ccc5ncnn5c4	Q16539	P36897	5.591760034688151	7.920818753952375	2.329058719264224	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3OC)c4ccc5ncnn5c4	Q16539	P36897	5.434152181326482	7.853871964321762	2.41971978299528	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3SC)c4ccc5ncnn5c4	Q16539	P36897	5.886056647693163	8.0	2.113943352306837	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)COc3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.31069114087638	7.886056647693163	2.575365506816783	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc([nH]2)CSc3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.204815410317576	7.6777807052660805	2.472965294948504	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(nc(s2)NCc3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.054531414868181	7.610833915635467	2.556302500767287	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cc(cc(c3)F)F)c4ccc5ncnn5c4	Q16539	P36897	5.4179366370882915	8.049635145623878	2.631698508535586	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cc(cc(c3)OC)OC)c4ccc5ncnn5c4	Q16539	P36897	5.097453220686009	7.782516055786094	2.6850628351000854	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3ccc(c(c3)F)F)c4ccc5ncnn5c4	Q16539	P36897	5.446116973356125	8.129011186239424	2.6828942128832987	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3ccc(cc3)F)c4ccc5ncnn5c4	Q16539	P36897	5.036212172654444	8.064996848546345	3.0287846758919006	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3)C#N)c4ccc5ncnn5c4	Q16539	P36897	5.422508200162775	8.033389013318066	2.6108808131552914	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3)C(=O)N)c4ccc5ncnn5c4	Q16539	P36897	5.208309350979882	7.866461091629782	2.6581517406499	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3)Cl)c4ccc5ncnn5c4	Q16539	P36897	5.484126156288321	7.991399828238083	2.507273671949762	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3)F)c4ccc5ncnn5c4	Q16539	P36897	5.452225294612178	8.154281982033341	2.7020566874211633	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3)OC(F)(F)F)c4ccc5ncnn5c4	Q16539	P36897	5.131355561605174	7.714442690992226	2.583087129387052	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3cccc(c3F)F)c4ccc5ncnn5c4	Q16539	P36897	5.142667503568732	7.531652669587842	2.3889851660191104	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3ccccc3)c4ccc5ncnn5c4	Q16539	P36897	5.257274868695302	7.94692155651658	2.689646687821278	Different Group
[P36897, Q16539]	Cc1cccc(n1)c2c(sc(n2)NCc3ccccc3Cl)c4ccc5ncnn5c4	Q16539	P36897	5.23210238398191	7.809668301829708	2.5775659178477985	Different Group
[P36897, Q16539]	Cc1ccccc1NCc2[nH]c(c(n2)c3ccc4ncnn4c3)c5cccc(n5)C	Q16539	P36897	5.7121982700697735	7.853871964321762	2.1416736942519883	Different Group
[P36897, Q16539]	c1ccnc(c1)c2c(c[nH]n2)c3ccnc(c3)c4ccc(cc4)C(=O)NC5CCOCC5	Q16539	P36897	5.137868620686963	7.7447274948966935	2.6068588742097303	Different Group
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.397940008672037	7.050609993355087	1.3473300153169507	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)OC)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.301029995663981	7.619788758288394	0.6812412373755876	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4ncc(=O)[nH]5	Q16539	P53778	8.698970004336019	7.455931955649724	1.2430380486862944	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.154901959985743	6.497572880015567	1.657329079970176	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CS(=O)(=O)NC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.154901959985743	7.5376020021010435	0.6172999578846996	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.522878745280337	6.6252516539898965	1.897627091290441	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)O)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.397940008672037	7.346787486224656	1.0511525224473814	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4n(c(=O)[nH]5)C	Q16539	P53778	8.154901959985743	7.638272163982407	0.5166297960033361	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	7.920818753952375	6.714442690992226	1.2063760629601488	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)cn6)ncn5	Q16539	P53778	7.769551078621726	5.581698708680254	2.1878523699414716	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P53778	7.6777807052660805	6.924453038607469	0.7533276666586115	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P53778	8.221848749616356	7.346787486224656	0.8750612633917001	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccn4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P53778	8.301029995663981	6.7447274948966935	1.5563025007672877	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)S(=O)(=O)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.301029995663981	7.327902142064283	0.9731278535996983	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)SC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.301029995663981	7.130768280269024	1.1702617153949575	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.221848749616356	7.356547323513813	0.8653014261025431	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P53778	8.154901959985743	6.8996294548824375	1.2552725051033056	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P53778	8.301029995663981	7.173925197299173	1.1271047983648081	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.698970004336019	7.366531544420414	1.332438459915605	Same Family
[P53778, Q16539]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccn4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P53778	7.7447274948966935	6.669586226650809	1.0751412682458845	Same Family
[P53778, Q16539]	CC(C)n1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	Q16539	P53778	7.958607314841775	6.305394801066432	1.653212513775343	Same Family
[P53778, Q16539]	CCn1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	Q16539	P53778	8.698970004336019	6.458420756053419	2.2405492482825995	Same Family
[P53778, Q16539]	Cc1c(=O)[nH]c2c(n1)c(ccn2)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccccc6)C(C)(C)C	Q16539	P53778	8.522878745280337	7.0	1.5228787452803374	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)(C)c5ccnc(c5)NC(=O)COC	Q16539	P53778	7.42021640338319	5.711974464611637	1.708241938771553	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)c5ccnc(c5)NC(=O)COC	Q16539	P53778	7.2839966563652006	6.044793462458058	1.2392031939071426	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccccn5	Q16539	P53778	6.777283528852417	5.530177984021837	1.2471055448305801	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5cccnc5	Q16539	P53778	7.920818753952375	6.210419287835575	1.7103994661168	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)N	Q16539	P53778	7.221848749616356	5.822752163744377	1.3990965858719795	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)C	Q16539	P53778	7.958607314841775	6.012333735073725	1.9462735797680493	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)COC	Q16539	P53778	7.508638306165727	6.189095719331299	1.3195425868344275	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)NC	Q16539	P53778	8.221848749616356	6.772113295386326	1.44973545423003	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5	Q16539	P53778	7.769551078621726	6.671620396561262	1.097930682060464	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5N	Q16539	P53778	7.958607314841775	6.228412519118745	1.7301947957230297	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)C	Q16539	P53778	8.096910013008056	6.1979107421182675	1.8989992708897887	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)COC	Q16539	P53778	8.522878745280337	6.450996737974212	2.071882007306125	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCn5ccnc5	Q16539	P53778	7.657577319177793	5.688246138944246	1.9693311802335476	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)N(C)C(=O)COC	Q16539	P53778	7.568636235841013	5.6129662987176365	1.9556699371233766	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)C	Q16539	P53778	8.698970004336019	6.709965388637482	1.989004615698537	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN(C)C	Q16539	P53778	9.0	6.336299074610352	2.663700925389648	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN6CCOCC6	Q16539	P53778	8.698970004336019	6.453457336521869	2.2455126678141495	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CS(=O)(=O)C	Q16539	P53778	8.096910013008056	7.259637310505756	0.8372727025023003	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CSC	Q16539	P53778	8.698970004336019	6.8297382846050425	1.8692317197309762	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)Cc6ccccc6	Q16539	P53778	8.045757490560675	6.422508200162775	1.6232492903979	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)c6ccccc6	Q16539	P53778	7.619788758288394	5.077845674768941	2.5419430835194525	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NS(=O)(=O)C	Q16539	P53778	7.7447274948966935	6.518557371497695	1.2261701233989983	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)[nH]6)ncn5	Q16539	P53778	7.522878745280337	6.268411234813262	1.2544675104670757	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc(c5)NC(=O)COC	Q16539	P53778	7.920818753952375	6.46344155742847	1.4573771965239048	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc(n5)Nc6ccccc6	Q16539	P53778	7.221848749616356	5.42724453484578	1.794604214770576	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5[nH]c(=O)[nH]6	Q16539	P53778	7.769551078621726	7.130768280269024	0.6387827983527021	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	Q16539	P53778	9.0	7.619788758288394	1.3802112417116064	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5nc(c(=O)[nH]6)C	Q16539	P53778	8.154901959985743	7.00436480540245	1.1505371545832928	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.522878745280337	7.142667503568732	1.3802112417116055	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.698970004336019	7.4089353929735005	1.2900346113625183	Same Family
[P53778, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C3(CC3)C)NC(=O)Nc4ccc(c5c4cccc5)Oc6ccnc7c6ncc(=O)[nH]7	Q16539	P53778	8.301029995663981	7.721246399047171	0.5797835966168101	Same Family
[P53778, Q16539]	Cc1ccc(s1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	Q16539	P53778	8.698970004336019	7.3872161432802645	1.3117538610557542	Same Family
[P15056, Q16539]	CC(CNc1nccc(n1)n2ccnc2Cc3cccc(c3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl)O	Q16539	P15056	6.243363891754152	7.0736441409067305	0.8302802491525787	Different Group
[P15056, Q16539]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q16539	P15056	7.978810700930062	8.200030365288617	0.22121966435855533	Different Group
[P15056, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C	Q16539	P15056	6.722849386036203	6.38310457359924	0.33974481243696264	Different Group
[P15056, Q16539]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC	Q16539	P15056	9.0	6.625801742070918	2.3741982579290823	Different Group
[P15056, Q16539]	Cc1ccc(cc1NC(=O)c2ccc(cc2)O)NC(=O)c3cccc(c3)N(C)C	Q16539	P15056	6.7447274948966935	6.638272163982407	0.1064553309142866	Different Group
[P15056, Q16539]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl	Q16539	P15056	7.735182176990463	6.744486287180466	0.9906958898099969	Different Group
[P15056, Q16539]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	Q16539	P15056	8.698970004336019	7.568636235841013	1.1303337684950057	Different Group
[P15056, Q16539]	c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	Q16539	P15056	5.769551078621726	6.638272163982407	0.868721085360681	Different Group
[P15056, Q16539]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	Q16539	P15056	6.221848749616356	7.672779974465254	1.4509312248488975	Different Group
[P15056, Q16539]	c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OCCN3CCOCC3	Q16539	P15056	6.976747540366288	7.034798298974088	0.0580507586077994	Different Group
[P15056, Q16539]	c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N	Q16539	P15056	4.259637310505756	6.6020599913279625	2.3424226808222066	Different Group
[P35968, P49841]	CC(C)CC(C(=O)OCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cc(c(c(c4)OC)OC)OC)N	P49841	P35968	7.920818753952375	6.600326278518962	1.3204924754334133	Different Group
[P35968, P49841]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P49841	P35968	4.7447274948966935	9.309803919971486	4.565076425074793	Different Group
[P35968, P49841]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P49841	P35968	6.060480747381382	5.4089353929735005	0.6515453544078813	Different Group
[P35968, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P49841	P35968	5.558679567258498	6.4257603709184234	0.8670808036599258	Different Group
[P35968, P49841]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P49841	P35968	7.468521082957745	8.051220962623397	0.5826998796656522	Different Group
[P35968, P49841]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P49841	P35968	5.1249387366083	6.102372908709558	0.9774341721012583	Different Group
[P35968, P49841]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P49841	P35968	5.698970004336019	6.552841968657781	0.8538719643217618	Different Group
[P35968, P49841]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P49841	P35968	6.301029995663981	6.795880017344075	0.49485002168009373	Different Group
[P35968, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P49841	P35968	5.7447274948966935	6.356547323513812	0.6118198286171186	Different Group
[P35968, P49841]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P49841	P35968	7.886056647693163	8.113509274827518	0.22745262713435466	Different Group
[P35968, P49841]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P49841	P35968	5.580044251510242	5.2247537402597635	0.3552905112504785	Different Group
[P48730, P49841]	CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P49841	P48730	4.351639989019068	5.581698708680254	1.2300587196611863	Different Group
[P48730, P49841]	CC(C)(c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N)O	P49841	P48730	4.221848749616356	5.634512015109101	1.4126632654927445	Different Group
[P48730, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49841	P48730	4.522878745280337	5.621602099051862	1.0987233537715246	Different Group
[P48730, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49841	P48730	4.522878745280337	4.522878745280337	0.0	Different Group
[P48730, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49841	P48730	4.522878745280337	5.346787486224656	0.8239087409443187	Different Group
[P48730, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	P48730	5.111259039317107	6.958607314841775	1.8473482755246673	Different Group
[P48730, P49841]	Cc1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P49841	P48730	4.521433504406157	5.442492798094342	0.9210592936881854	Different Group
[P48730, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P49841	P48730	3.8601209135987635	3.623423042943488	0.23669787065527537	Different Group
[P48730, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P49841	P48730	4.259637310505756	4.013228265733755	0.2464090447720011	Different Group
[P48730, P49841]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P49841	P48730	8.0	7.455931955649724	0.5440680443502757	Different Group
[P48730, P49841]	c1cc(c(nc1)F)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P49841	P48730	4.616184634019569	5.787812395596042	1.171627761576473	Different Group
[P48730, P49841]	c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	P49841	P48730	4.511449283499556	5.238824186844268	0.7273749033447121	Different Group
[P48730, P49841]	c1ccc(cc1)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P49841	P48730	4.511449283499556	5.661543506395395	1.1500942228958388	Different Group
[P49840, P49841]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P49840	6.0670191780768015	7.00436480540245	0.9373456273256489	Same Family
[P49840, P49841]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P49840	6.044312249686494	6.795880017344075	0.7515677676575807	Same Family
[P49840, P49841]	CC(=O)Nc1cc(ccn1)c2nnc(o2)SCc3ccc(cc3)c4ccccc4C#N	P49841	P49840	7.769551078621726	8.698970004336019	0.9294189257142929	Same Family
[P49840, P49841]	CC(=O)Nc1cc(ccn1)c2nnc(o2)SCc3cccc(c3)C#N	P49841	P49840	7.721246399047171	7.769551078621726	0.048304679574554754	Same Family
[P49840, P49841]	CC(=O)Nc1cc(ccn1)c2nnc(o2)SCc3ccccc3	P49841	P49840	7.455931955649724	7.698970004336019	0.24303804868629442	Same Family
[P49840, P49841]	CC(C)(c1cc(nc(n1)C2CCCCC2)Nc3c4cc(cnc4[nH]n3)F)O	P49841	P49840	7.698970004336019	8.522878745280337	0.8239087409443187	Same Family
[P49840, P49841]	CC1(CC2=C(C(C3=C(NNC3=N2)C(F)(F)F)c4ccccc4OC)C(=O)C1)C	P49841	P49840	7.920818753952375	7.886056647693163	0.034762106259211834	Same Family
[P49840, P49841]	CC1=C(C(OC1=O)CC(=CCCC(C)C=CC=C(C)CCCc2ccoc2)C)O	P49841	P49840	5.5926119976792945	5.79294002170761	0.20032802402831518	Same Family
[P49840, P49841]	CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)c4ccccc4	P49841	P49840	6.634512015109101	6.79317412396815	0.1586621088590494	Same Family
[P49840, P49841]	CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)c4ccccc4OC	P49841	P49840	7.214670164989233	7.568636235841013	0.3539660708517802	Same Family
[P49840, P49841]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P49841	P49840	4.7447274948966935	5.721246399047171	0.9765189041504776	Same Family
[P49840, P49841]	COC(=O)c1ccc(cc1)CSc2nnc(o2)c3ccc4c(c3)OCCO4	P49841	P49840	7.443697499232713	7.920818753952375	0.4771212547196617	Same Family
[P49840, P49841]	COc1cc2c(cc1OC)CN(CC2)CC(=O)Nc3ccc4c(c3)C(=Cc5cnc[nH]5)C(=O)N4	P49841	P49840	6.565431095965801	6.053547734986927	0.5118833609788735	Same Family
[P49840, P49841]	COc1ccc(c(c1)C#N)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5	P49841	P49840	7.494850021680094	8.301029995663981	0.8061799739838875	Same Family
[P49840, P49841]	COc1ccc(c(c1)C#N)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	P49840	7.853871964321762	8.301029995663981	0.44715803134221943	Same Family
[P49840, P49841]	COc1ccc(cc1)CNC(=O)Nc2cc(ccn2)C#N	P49841	P49840	2.844663962534938	2.9507819773298185	0.10611801479488037	Same Family
[P49840, P49841]	COc1ccc(cc1)CNC(=O)Nc2cc(ccn2)c3[nH]nnn3	P49841	P49840	3.2924298239020637	3.431798275933005	0.13936845203094128	Same Family
[P49840, P49841]	COc1ccc(cc1)CNC(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-]	P49841	P49840	2.438898616350944	3.657577319177794	1.2186787028268498	Same Family
[P49840, P49841]	COc1ccc(cc1)CNC(=O)Nc2nc3ccc(cc3s2)c4[nH]nnn4	P49841	P49840	3.853871964321762	3.886056647693163	0.032184683371401235	Same Family
[P49840, P49841]	COc1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5	P49841	P49840	6.896196279044043	7.721246399047171	0.8250501200031284	Same Family
[P49840, P49841]	COc1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	P49840	7.1249387366083	8.154901959985743	1.0299632233774432	Same Family
[P49840, P49841]	COc1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4	P49841	P49840	6.7544873321858505	6.619788758288394	0.13469857389745687	Same Family
[P49840, P49841]	Cc1c(nc(nc1Nc2c3cc(cnc3[nH]n2)F)C4CCCCC4)C	P49841	P49840	7.886056647693163	9.154901959985743	1.26884531229258	Same Family
[P49840, P49841]	Cc1c(nc(nc1Nc2c3cc(cnc3[nH]n2)F)C4CCOCC4)C	P49841	P49840	6.096910013008056	7.522878745280337	1.4259687322722812	Same Family
[P49840, P49841]	Cc1cc(nc(c1)Nc2c3cc(cnc3[nH]n2)F)c4ccccc4Cl	P49841	P49840	7.522878745280337	8.698970004336019	1.1760912590556813	Same Family
[P49840, P49841]	Cc1cc(nc(c1C)Nc2c3cc(cnc3[nH]n2)F)c4ccccc4Cl	P49841	P49840	6.522878745280337	7.522878745280337	1.0	Same Family
[P49840, P49841]	Cc1cc(nc(c1C)c2ccccc2)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	7.698970004336019	9.221848749616356	1.5228787452803374	Same Family
[P49840, P49841]	Cc1cc(nc(c1C)c2ccccc2Cl)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	6.698970004336019	8.0	1.3010299956639813	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C23CC4CC(C2)CC(C4)C3)Nc5c[nH]c6c5cc(cn6)F	P49841	P49840	7.698970004336019	8.698970004336019	1.0	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCCC2)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	7.318758762624412	8.698970004336019	1.3802112417116064	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCCCC2)Nc3c4cc(ccc4[nH]n3)F	P49841	P49840	7.6020599913279625	8.698970004336019	1.0969100130080562	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCCCC2)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	8.221848749616356	9.301029995663981	1.079181246047625	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCCCC2C)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	6.522878745280337	9.0	2.4771212547196626	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCOCC2)Nc3c4cc(ccc4[nH]n3)F	P49841	P49840	6.698970004336019	7.522878745280337	0.8239087409443187	Same Family
[P49840, P49841]	Cc1cc(nc(n1)C2CCOCC2)Nc3c4cc(cnc4[nH]n3)F	P49841	P49840	7.522878745280337	8.522878745280337	1.0	Same Family
[P49840, P49841]	Cc1nc(cc(n1)Nc2c3cc(cnc3[nH]n2)F)C4CCC(CC4)(F)F	P49841	P49840	7.698970004336019	9.0	1.3010299956639813	Same Family
[P49840, P49841]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4ccc(cc4Cl)Cl	P49841	P49840	7.626504315022315	7.468521082957745	0.15798323206457	Same Family
[P49840, P49841]	Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl	P49841	P49840	6.161150909262744	6.335358024443875	0.1742071151811304	Same Family
[P49840, P49841]	c1cc(cc(c1)C#N)CSc2nnc(o2)c3ccc4c(c3)OCCO4	P49841	P49840	7.0655015487564325	7.022276394711152	0.043225154045280156	Same Family
[P49840, P49841]	c1cc(cc(c1)C#N)CSc2nnc(o2)c3ccc4c(c3)OCO4	P49841	P49840	7.187086643357144	7.823908740944319	0.6368220975871743	Same Family
[P49840, P49841]	c1cc(cc(c1)C#N)CSc2nnc(o2)c3ccncc3	P49841	P49840	5.50003813440381	5.494036481981874	0.0060016524219355105	Same Family
[P49840, P49841]	c1cc(cc(c1)I)CSc2nnc(o2)c3ccncc3	P49841	P49840	6.255654150841529	6.4089353929735005	0.15328124213197114	Same Family
[P49840, P49841]	c1cc(cc(c1)[N+](=O)[O-])c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5	P49841	P49840	6.785156151952302	7.823908740944319	1.0387525889920166	Same Family
[P49840, P49841]	c1cc(cc(c1)[N+](=O)[O-])c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	P49840	7.0655015487564325	7.823908740944319	0.7584071921878861	Same Family
[P49840, P49841]	c1cc(cc(c1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5)C#N	P49841	P49840	6.647817481888637	8.045757490560675	1.3979400086720375	Same Family
[P49840, P49841]	c1cc(cc(c1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5)C#N	P49841	P49840	7.5376020021010435	8.397940008672037	0.860338006570994	Same Family
[P49840, P49841]	c1cc(cc(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)C#N	P49841	P49840	7.075720713938118	7.337242168318426	0.2615214543803077	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)C#N	P49841	P49840	6.779891911959945	7.346787486224656	0.566895574264711	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5cc(cc(c5)F)F	P49841	P49840	6.015022873584507	7.455931955649724	1.4409090820652173	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5ccc(cc5)C#N	P49841	P49840	5.700057099977233	6.709965388637482	1.0099082886602488	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5ccc(cc5C(=O)N)F	P49841	P49840	6.853871964321762	7.376750709602099	0.5228787452803374	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)C#N	P49841	P49840	6.886056647693163	7.823908740944319	0.9378520932511556	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5[nH]nnn5	P49841	P49840	6.764471553092451	6.97061622231479	0.20614466922233898	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5cc(cc(c5)F)F	P49841	P49840	6.709965388637482	7.292429823902063	0.5824644352645816	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5)C#N	P49841	P49840	6.5003129173815966	8.221848749616356	1.7215358322347596	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5C#N)F	P49841	P49840	7.657577319177793	8.698970004336019	1.0413926851582254	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccncc3)C#N	P49841	P49840	5.0	5.132002489655049	0.1320024896550489	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccncc3)c4ccc(cc4)C#N	P49841	P49840	6.815308569182402	7.113509274827518	0.29820070564511614	Same Family
[P49840, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccncc3)c4ccc(cc4C#N)F	P49841	P49840	7.251811972993799	6.489454989793388	0.7623569832004113	Same Family
[P49840, P49841]	c1ccc(c(c1)C#N)c2ccc(cc2)CSc3nnc(o3)c4ccncc4	P49841	P49840	7.3872161432802645	7.721246399047171	0.3340302557669066	Same Family
[P49840, P49841]	c1ccc(c(c1)c2cc(cc(n2)Nc3c4cc(cnc4[nH]n3)F)C(F)(F)F)Cl	P49841	P49840	7.301029995663981	8.522878745280337	1.2218487496163561	Same Family
[P49840, P49841]	c1ccc(c(c1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5)[N+](=O)[O-]	P49841	P49840	7.045757490560675	8.397940008672037	1.3521825181113627	Same Family
[P49840, P49841]	c1ccc(c(c1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5)[N+](=O)[O-]	P49841	P49840	7.568636235841013	8.522878745280337	0.9542425094393243	Same Family
[P49840, P49841]	c1ccc(c(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)[N+](=O)[O-]	P49841	P49840	6.785156151952302	7.568636235841013	0.783480083888711	Same Family
[P49840, P49841]	c1ccc(cc1)CSc2nnc(o2)c3ccncc3	P49841	P49840	5.880084589742009	5.648977147415876	0.23110744232613278	Same Family
[P49840, P49841]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	P49841	P49840	6.42021640338319	6.6777807052660805	0.2575643018828906	Same Family
[P49840, P49841]	c1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCCO5	P49841	P49840	6.6307841425898575	7.292429823902063	0.6616456813122058	Same Family
[P49840, P49841]	c1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	P49840	6.7544873321858505	8.045757490560675	1.2912701583748243	Same Family
[P49840, P49841]	c1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4	P49841	P49840	7.080921907623926	7.2839966563652006	0.2030747487412743	Same Family
[P49840, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F	P49841	P49840	9.053088921796064	8.823908740944319	0.22918018085174552	Same Family
[P24941, P49841]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P24941	6.0670191780768015	6.039529222465701	0.02748995561110057	Different Family
[P24941, P49841]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P24941	6.044312249686494	6.774690718274138	0.7303784685876433	Different Family
[P24941, P49841]	CC(=O)Nc1ccc2c(c1)c(c[nH]2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	P49841	P24941	6.6020599913279625	4.853871964321762	1.7481880270062007	Different Family
[P24941, P49841]	CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	P49841	P24941	6.886056647693163	4.585026652029182	2.3010299956639813	Different Family
[P24941, P49841]	CC(C)COc1cc(n2c(n1)c(cn2)C(C)C)Nc3ccc(cc3)S(=O)(=O)C	P49841	P24941	4.920818753952375	5.920818753952375	1.0	Different Family
[P24941, P49841]	CC(C)COc1cc(n2c(n1)c(cn2)C(C)C)Nc3ccc(cc3)S(=O)(=O)N(C)C	P49841	P24941	4.301029995663981	5.920818753952375	1.6197887582883936	Different Family
[P24941, P49841]	CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N	P49841	P24941	4.3979400086720375	7.229147988357856	2.8312079796858187	Different Family
[P24941, P49841]	CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)OC4CCC(CC4)N	P49841	P24941	4.552841968657781	7.769551078621726	3.2167091099639453	Different Family
[P24941, P49841]	CC1(CC2=C(C(C3=C(NNC3=N2)C(F)(F)F)c4ccccc4OC)C(=O)C1)C	P49841	P24941	7.920818753952375	5.4089353929735005	2.5118833609788744	Different Family
[P24941, P49841]	CC1(c2c(c(n[nH]2)NC(=O)C(C)(C)C)CN1C(=O)OC(CN(C)C)c3ccccc3)C	P49841	P24941	6.6439741428068775	6.346787486224656	0.29718665658222143	Different Family
[P24941, P49841]	CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)c4ccccc4OC	P49841	P24941	7.214670164989233	5.823908740944319	1.3907614240449142	Different Family
[P24941, P49841]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	P49841	P24941	7.886056647693163	8.468521082957745	0.5824644352645816	Different Family
[P24941, P49841]	CCN(CC)c1cc(n2c(n1)ncn2)Nc3ccc(cc3)S(=O)(=O)N	P49841	P24941	4.958607314841775	6.3979400086720375	1.4393326938302629	Different Family
[P24941, P49841]	CN(C)C(=O)N1CCn2cc(c3c2c(ccc3)C1)C4=C(C(=O)NC4=O)c5cnc6n5cccc6	P49841	P24941	8.358349385648225	5.6777807052660805	2.6805686803821445	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3Br)NC4CCC(CC4)N	P49841	P24941	5.468521082957745	8.0	2.5314789170422554	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3C#N)NC4CCC(CC4)N	P49841	P24941	6.337242168318426	8.154901959985743	1.8176597916673174	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3C4CCCC4)NC5CCC(CC5)N	P49841	P24941	4.657577319177793	8.397940008672037	3.740362689494244	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3Cl)NC4CCC(CC4)N	P49841	P24941	5.292429823902063	8.096910013008056	2.804480189105993	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P49841	P24941	4.698970004336019	6.920818753952375	2.221848749616356	Different Family
[P24941, P49841]	CN(C)S(=O)(=O)c1ccc(cc1Cl)Nc2cc(nc3n2ncc3Br)NC4CCC(CC4)N	P49841	P24941	5.060480747381382	8.698970004336019	3.638489256954637	Different Family
[P24941, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P49841	P24941	5.958607314841775	5.161150909262744	0.7974564055790303	Different Family
[P24941, P49841]	CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P49841	P24941	4.366531544420414	6.6020599913279625	2.2355284469075487	Different Family
[P24941, P49841]	Cc1c2c3c(c4cccn4c2n(n1)c5ccc(cc5Cl)Cl)C(=O)NC3=O	P49841	P24941	6.619788758288394	5.552841968657781	1.066946789630613	Different Family
[P24941, P49841]	Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	P49841	P24941	4.443697499232712	4.5376020021010435	0.09390450286833119	Different Family
[P24941, P49841]	Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	P49841	P24941	5.585026652029182	5.142667503568732	0.4423591484604499	Different Family
[P24941, P49841]	c1cc(cc(c1)F)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4c[nH]nc4	P49841	P24941	6.413412695328245	7.221848749616356	0.8084360542881113	Different Family
[P24941, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P49841	P24941	5.7447274948966935	6.3872161432802645	0.642488648383571	Different Family
[P24941, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N	P49841	P24941	6.107905397309519	6.568636235841013	0.4607308385314939	Different Family
[P24941, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N	P49841	P24941	6.013228265733755	6.136677139879544	0.12344887414578931	Different Family
[P24941, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	P49841	P24941	6.721246399047171	6.455931955649724	0.2653144433974468	Different Family
[P24941, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N	P49841	P24941	4.5376020021010435	4.958607314841775	0.42100531274073116	Different Family
[P24941, P49841]	c1cc(sc1)S(=O)(=O)c2ccc(cc2)Nc3cc(nc4n3ncc4Cl)NC5CCC(CC5)N	P49841	P24941	5.3979400086720375	7.958607314841775	2.560667306169737	Different Family
[P24941, P49841]	c1ccc(c(c1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4)Cl	P49841	P24941	7.267606240177032	8.522878745280337	1.2552725051033056	Different Family
[P24941, P49841]	c1ccc(cc1)S(=O)(=O)c2ccc(cc2)Nc3cc(nc4n3ncc4Br)NC5CCC(CC5)N	P49841	P24941	5.275724130399211	7.795880017344075	2.520155886944864	Different Family
[P24941, P49841]	c1ccc(cc1)S(=O)(=O)c2ccc(cc2)Nc3cc(nc4n3ncn4)NC5CCC(CC5)N	P49841	P24941	4.301029995663981	6.585026652029182	2.2839966563652006	Different Family
[P24941, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P49841	P24941	7.659952682338607	6.0034883278458215	1.656464354492785	Different Family
[P24941, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P49841	P24941	7.770062314092066	5.612788199686269	2.157274114405797	Different Family
[P24941, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F	P49841	P24941	9.053088921796064	5.552841968657781	3.5002469531382836	Different Family
[P24941, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCCCC7	P49841	P24941	8.747425010840047	5.267606240177032	3.479818770663015	Different Family
[P24941, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCOCC7	P49841	P24941	8.735541649861172	5.275724130399211	3.4598175194619616	Different Family
[P24941, P49841]	c1cnccc1C=NNC(=O)C2C(N(N=N2)C3C(=NON3)N)CN4CCCCC4	P49841	P24941	7.0	4.017728766960432	2.982271233039568	Different Family
[P05771, P49841]	CCN1CCOCCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCOCC1)C(=O)NC4=O	P49841	P05771	7.6020599913279625	7.6020599913279625	0.0	Different Group
[P05771, P49841]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P49841	P05771	6.860120913598763	7.721246399047171	0.8611254854484081	Different Group
[P05771, P49841]	CN(C)C(=O)N1CCn2cc(c3c2c(ccc3)C1)C4=C(C(=O)NC4=O)c5cnc6n5cccc6	P49841	P05771	8.358349385648225	6.0	2.358349385648225	Different Group
[P05771, P49841]	CN(C)c1c2ccc(n1)CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCC2)C(=O)NC5=O	P49841	P05771	8.522878745280337	5.853871964321762	2.6690067809585756	Different Group
[P05771, P49841]	CN(C)c1cc2cc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCC2)C(=O)NC5=O	P49841	P05771	8.154901959985743	5.619788758288394	2.5351132016973494	Different Group
[P05771, P49841]	CN1CCCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCOCCOCC1)C(=O)NC4=O	P49841	P05771	8.397940008672037	7.346787486224656	1.0511525224473814	Different Group
[P05771, P49841]	CN1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCN(CCN(CC1)C)C)C(=O)NC4=O	P49841	P05771	7.366531544420414	7.086186147616283	0.2803453968041305	Different Group
[P05771, P49841]	CN1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCOCCN(CC1)C)C(=O)NC4=O	P49841	P05771	7.481486060122113	7.337242168318426	0.14424389180368724	Different Group
[P05771, P49841]	Cc1cc2c3c(c1)c(cn3CCN(C2)C(=O)N4CCCCC4)C5=C(C(=O)NC5=O)c6cnc7n6cccc7	P49841	P05771	7.8356063998227325	6.431798275933005	1.4038081238897275	Different Group
[P05771, P49841]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P49841	P05771	8.0	5.920818753952375	2.079181246047625	Different Group
[P05771, P49841]	c1ccc2c(c1)c3cn2CCCc4cc(nc(c4)N5CCCC5)CCCn6cc(c7c6cccc7)C8=C3C(=O)NC8=O	P49841	P05771	7.958607314841775	5.920818753952375	2.0377885608893997	Different Group
[P05771, P49841]	c1ccc2c(c1)c3cn2CCCc4ccc(nc4N5CCCC5)CCCn6cc(c7c6cccc7)C8=C3C(=O)NC8=O	P49841	P05771	7.522878745280337	5.657577319177793	1.865301426102544	Different Group
[P05771, P49841]	c1ccc2c(c1)c3cn2CCOCCN(CCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CCO	P49841	P05771	7.3979400086720375	7.236572006437063	0.16136800223497438	Different Group
[P05771, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P49841	P05771	7.659952682338607	8.221848749616356	0.5618960672777495	Different Group
[P05771, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P49841	P05771	7.770062314092066	7.337242168318426	0.4328201457736407	Different Group
[P05771, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F	P49841	P05771	9.053088921796064	6.376750709602099	2.676338212193965	Different Group
[P05771, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCCCC7	P49841	P05771	8.747425010840047	6.251811972993799	2.4956130378462476	Different Group
[P05771, P49841]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCOCC7	P49841	P05771	8.735541649861172	5.958607314841775	2.776934335019398	Different Group
[P06493, P49841]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P06493	6.0670191780768015	5.7265357273786535	0.340483450698148	Different Family
[P06493, P49841]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P49841	P06493	6.044312249686494	7.026872146400302	0.9825598967138074	Different Family
[P06493, P49841]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	P49841	P06493	7.886056647693163	9.0	1.113943352306837	Different Family
[P06493, P49841]	CCN(CC)c1cc(n2c(n1)ncn2)Nc3ccc(cc3)S(=O)(=O)N	P49841	P06493	4.958607314841775	5.468521082957745	0.50991376811597	Different Family
[P06493, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P49841	P06493	4.698970004336019	5.251811972993799	0.5528419686577806	Different Family
[P06493, P49841]	CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P49841	P06493	4.366531544420414	4.795880017344075	0.4293484729236612	Different Family
[P06493, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	P49841	P06493	6.721246399047171	6.853871964321762	0.13262556527459068	Different Family
[P06493, P49841]	c1ccc(cc1)S(=O)(=O)c2ccc(cc2)Nc3cc(nc4n3ncn4)NC5CCC(CC5)N	P49841	P06493	4.301029995663981	5.366531544420414	1.0655015487564325	Different Family
[P06493, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P49841	P06493	7.659952682338607	5.90274269030658	1.7572099920320268	Different Family
[P06493, P49841]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P49841	P06493	7.770062314092066	5.353792387793315	2.4162699262987513	Different Family
[P28482, P49841]	CC1(c2c(c(n[nH]2)NC(=O)C(C)(C)C)CN1C(=O)OC(CN(C)C)c3ccccc3)C	P49841	P28482	6.6439741428068775	6.769551078621726	0.1255769358148484	Different Family
[P28482, P49841]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P49841	P28482	4.7447274948966935	5.5147311704332145	0.7700036755365209	Different Family
[P28482, P49841]	CCCCNC(=O)N1Cc2c(n[nH]c2NC(=O)C(C)c3ccc4ccccc4c3)C1	P49841	P28482	7.301029995663981	6.42021640338319	0.8808135922807914	Different Family
[P28482, P49841]	CCCCNC(=O)N1Cc2c(n[nH]c2NC(=O)Cc3ccc(cc3)N4CCCC4)C1	P49841	P28482	6.522878745280337	6.552841968657781	0.02996322337744317	Different Family
[P28482, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	P28482	4.522878745280337	4.522878745280337	0.0	Different Family
[P28482, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49841	P28482	4.522878745280337	4.522878745280337	0.0	Different Family
[P28482, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49841	P28482	4.522878745280337	4.522878745280337	0.0	Different Family
[P28482, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49841	P28482	4.522878745280337	4.522878745280337	0.0	Different Family
[P28482, P49841]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P49841	P28482	5.774690718274137	5.671620396561262	0.10307032171287478	Different Family
[P28482, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	P28482	5.111259039317107	4.522878745280337	0.58838029403677	Different Family
[P28482, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P49841	P28482	3.8601209135987635	4.327902142064283	0.4677812284655194	Different Family
[P28482, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P49841	P28482	4.259637310505756	4.42021640338319	0.160579092877434	Different Family
[P28482, P49841]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P49841	P28482	8.0	8.133803120088515	0.13380312008851547	Different Family
[P28482, P49841]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P49841	P28482	5.580044251510242	4.0	1.580044251510242	Different Family
[P31749, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49841	P31749	4.522878745280337	4.730954290342377	0.20807554506203996	Different Group
[P31749, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49841	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49841	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P49841]	Cc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.552841968657781	8.522878745280337	1.9700367766225568	Different Group
[P31749, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5Cl)N	P49841	P31749	6.522878745280337	9.0	2.4771212547196626	Different Group
[P31749, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.251811972993799	9.0	2.7481880270062007	Different Group
[P31749, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5ccccc5)N	P49841	P31749	6.552841968657781	8.221848749616356	1.6690067809585756	Different Group
[P31749, P49841]	Cc1c2c([nH]n1)ncc(n2)c3cc(cnc3c4ccoc4C)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.6777807052660805	9.0	2.3222192947339195	Different Group
[P31749, P49841]	Cc1c2cc(ccc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.657577319177793	8.522878745280337	1.865301426102544	Different Group
[P31749, P49841]	Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.301029995663981	6.301029995663981	0.0	Different Group
[P31749, P49841]	Cc1c2cc(cnc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.327902142064283	9.0	2.672097857935717	Different Group
[P31749, P49841]	Cc1c2cc(ncc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P49841	P31749	6.167491087293763	9.0	2.8325089127062366	Different Group
[P31749, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	P31749	5.111259039317107	5.508638306165727	0.3973792668486196	Different Group
[P31749, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P49841	P31749	3.8601209135987635	4.853871964321762	0.9937510507229983	Different Group
[P31749, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P49841	P31749	4.259637310505756	5.795880017344075	1.536242706838319	Different Group
[P31749, P49841]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P49841	P31749	5.1249387366083	5.476253533188435	0.35131479658013554	Different Group
[P31749, P49841]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P49841	P31749	5.698970004336019	5.268411234813262	0.43055876952275707	Different Group
[P31749, P49841]	c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3	P49841	P31749	8.109578981199085	8.665546248849068	0.5559672676499829	Different Group
[P31749, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P49841	P31749	5.7447274948966935	5.154901959985743	0.5898255349109505	Different Group
[P31749, P49841]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P49841	P31749	7.886056647693163	7.958607314841775	0.07255066714861158	Different Group
[P31749, P49841]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P49841	P31749	5.580044251510242	4.413412695328245	1.166631556181997	Different Group
[O14757, P49841]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P49841	O14757	4.698970004336019	4.6777807052660805	0.021189299069938272	Different Group
[O14757, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49841	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49841	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49841	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P49841]	COc1cc2c(cc1OC)CN(CC2)CC(=O)Nc3ccc4c(c3)C(=Cc5cnc[nH]5)C(=O)N4	P49841	O14757	6.565431095965801	6.562249437179612	0.0031816587861888124	Different Group
[O14757, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	O14757	5.111259039317107	5.863279432843593	0.752020393526486	Different Group
[O14757, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P49841	O14757	3.8601209135987635	4.7447274948966935	0.88460658129793	Different Group
[O14757, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P49841	O14757	4.259637310505756	5.7447274948966935	1.4850901843909377	Different Group
[O14757, P49841]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P49841	O14757	8.0	5.709965388637482	2.2900346113625183	Different Group
[O14757, P49841]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P49841	O14757	6.301029995663981	5.853871964321762	0.44715803134221943	Different Group
[O14757, P49841]	c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N	P49841	O14757	6.107905397309519	4.031517051446065	2.076388345863454	Different Group
[O14757, P49841]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P49841	O14757	6.008773924307505	6.022276394711152	0.013502470403647493	Different Group
[O14965, P49841]	CC(=O)Nc1cc(ccn1)c2nnc(o2)SCc3ccccc3	P49841	O14965	7.455931955649724	4.221848749616356	3.234083206033368	Different Group
[O14965, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P49841	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P49841	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P49841]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P49841	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P49841]	COCC1COc2ccc(cc2O1)c3nnc(o3)SCc4ccc(cc4)c5ccccc5C#N	P49841	O14965	6.547461721014226	4.522878745280337	2.024582975733889	Different Group
[O14965, P49841]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P49841	O14965	5.958607314841775	5.135985522789741	0.8226217920520336	Different Group
[O14965, P49841]	COc1ccc(c(c1)C#N)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	O14965	7.853871964321762	4.346787486224656	3.5070844780971058	Different Group
[O14965, P49841]	COc1ccc(cc1)CNC(=O)Nc2nc3ccc(cc3s2)c4[nH]nnn4	P49841	O14965	3.853871964321762	2.318758762624413	1.535113201697349	Different Group
[O14965, P49841]	COc1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49841	O14965	7.1249387366083	4.3979400086720375	2.7269987279362624	Different Group
[O14965, P49841]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P49841	O14965	5.111259039317107	5.809668301829708	0.6984092625126008	Different Group
[O14965, P49841]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P49841	O14965	7.468521082957745	8.522878745280337	1.0543576623225928	Different Group
[O14965, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P49841	O14965	3.8601209135987635	5.107905397309519	1.2477844837107557	Different Group
[O14965, P49841]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P49841	O14965	4.259637310505756	5.008773924307505	0.749136613801749	Different Group
[O14965, P49841]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P49841	O14965	5.1249387366083	5.605548319173784	0.48060958256548414	Different Group
[O14965, P49841]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P49841	O14965	5.7447274948966935	5.508638306165727	0.23608918873096663	Different Group
[O14965, P49841]	c1cc(cc(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)C#N	P49841	O14965	7.075720713938118	4.221848749616356	2.853871964321762	Different Group
[O14965, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5ccc(cc5)C#N	P49841	O14965	5.700057099977233	4.301029995663981	1.3990271043132516	Different Group
[O14965, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5ccc(cc5C#N)F	P49841	O14965	6.732828271596986	5.301029995663981	1.431798275933005	Different Group
[O14965, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5)C#N	P49841	O14965	6.5003129173815966	4.522878745280337	1.9774341721012592	Different Group
[O14965, P49841]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5C#N)F	P49841	O14965	7.657577319177793	4.522878745280337	3.134698573897456	Different Group
[O14965, P49841]	c1ccc(c(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)[N+](=O)[O-]	P49841	O14965	6.785156151952302	5.301029995663981	1.4841261562883208	Different Group
[O14965, P49841]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P49841	O14965	5.580044251510242	5.872895201635193	0.29285095012495077	Different Group
[O14965, P49841]	c1ccc2c(c1)c(c([nH]2)O)c3c(c4ccccc4[nH]3)N=O	P49841	O14965	7.657577319177793	5.3979400086720375	2.259637310505756	Different Group
[P12931, P41240]	CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	P41240	P12931	6.292429823902063	5.657577319177793	0.6348525047242699	Different Family
[P12931, P41240]	CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	P41240	P12931	5.585026652029182	6.173925197299173	0.5888985452699913	Different Family
[P12931, P41240]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	P41240	P12931	5.508638306165727	6.42021640338319	0.911578097217463	Different Family
[P12931, P41240]	CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C5CCN(CC5)C)N	P41240	P12931	5.0	5.251811972993799	0.2518119729937993	Different Family
[P12931, P41240]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P41240	P12931	4.6020599913279625	5.2403321553103694	0.6382721639824069	Different Family
[P12931, P41240]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P41240	P12931	4.6777807052660805	5.522878745280337	0.8450980400142569	Different Family
[P12931, P41240]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P41240	P12931	6.537602002101044	6.508638306165727	0.028963695935317446	Different Family
[P12931, P41240]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P41240	P12931	6.18111458540599	8.174360993000928	1.9932464075949374	Different Family
[P12931, P41240]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P41240	P12931	6.568636235841013	7.187086643357144	0.6184504075161312	Different Family
[P12931, P41240]	c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCNC(=N)N)Cc4c[nH]c5c4cccc5)CCCNC(=N)N)Cc6c[nH]c7c6cccc7)CCCNC(=N)N)Cc8c[nH]c9c8cccc9)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N	P41240	P12931	6.096910013008056	5.824875990832918	0.27203402217513784	Different Family
[P45984, P53779]	CC(C)C(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P53779	P45984	6.790484985457369	6.795880017344075	0.005395031886705759	Same Family
[P45984, P53779]	CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)c2c3ccccc3[nH]n2)C(=O)NC(=O)C4COc5cc(ccc5O4)OC	P53779	P45984	7.920818753952375	6.473660722610156	1.4471580313422185	Same Family
[P45984, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)[nH]c3n2	P53779	P45984	5.664341547710698	5.462180904926726	0.20216064278397283	Same Family
[P45984, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C	P53779	P45984	6.623423042943488	6.334419008982047	0.28900403396144103	Same Family
[P45984, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P53779	P45984	7.823908740944319	7.180456064458132	0.643452676486187	Same Family
[P45984, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCCC4	P53779	P45984	7.958607314841775	7.920818753952375	0.03778856088939975	Same Family
[P45984, P53779]	CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C4CCOCC4	P53779	P45984	6.690369832574102	6.36251027048749	0.32785956208661204	Same Family
[P45984, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)NC(=O)NC4CCCC4	P53779	P45984	7.0915149811213505	7.187086643357144	0.09557166223579383	Same Family
[P45984, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCC(CC3)O	P53779	P45984	7.236572006437063	7.7447274948966935	0.5081554884596304	Same Family
[P45984, P53779]	CC(C)n1c(=O)ccc2c1nc(nc2)NC3CCOCC3	P53779	P45984	6.274088367704952	6.617982957425132	0.34389458972017994	Same Family
[P45984, P53779]	CCNC(=O)N1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P53779	P45984	7.267606240177032	6.943095148663527	0.32451109151350455	Same Family
[P45984, P53779]	CCNC(=O)NC1CCC(CC1)Nc2ncc3ccc(=O)n(c3n2)C(C)C	P53779	P45984	7.337961710130257	7.399848408509207	0.061886698378950555	Same Family
[P45984, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)C#N	P53779	P45984	7.221848749616356	6.920818753952375	0.30102999566398125	Same Family
[P45984, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccc(cc2)S(=O)(=O)C)N)Cl	P53779	P45984	6.920818753952375	7.130768280269024	0.20994952631664887	Same Family
[P45984, P53779]	CCOc1c(c(cc(n1)C(=O)NCc2ccccc2S(=O)(=O)N)N)C#N	P53779	P45984	7.431798275933005	7.275724130399211	0.15607414553379417	Same Family
[P45984, P53779]	CN(C)C(=O)c1ccc(cc1)Nc2cc(ccn2)Nc3ccccc3C(=O)N	P53779	P45984	6.488116639021126	5.85078088734462	0.6373357516765052	Same Family
[P45984, P53779]	CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	P53779	P45984	5.973856621321071	5.943095148663527	0.030761472657543365	Same Family
[P45984, P53779]	CN(C)CCn1cc(cn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P53779	P45984	7.468521082957745	7.180456064458132	0.28806501849961297	Same Family
[P45984, P53779]	CN(C)c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4c[nH]nc4	P53779	P45984	7.494850021680094	7.229147988357856	0.2657020333222375	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl	P53779	P45984	7.920818753952375	7.376750709602099	0.5440680443502757	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2Br)Nc3ccc(cc3OC)N4CCOCC4	P53779	P45984	7.167491087293763	7.086186147616283	0.08130493967748009	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3cc(c(c(c3)OC)OC)OC	P53779	P45984	6.138465589140962	5.478861916295964	0.6596036728449981	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc(cc3)C(=O)N(C)C	P53779	P45984	6.488116639021126	5.85078088734462	0.6373357516765052	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc(cc3)N4CCOCC4	P53779	P45984	7.214670164989233	7.045757490560675	0.16891267442855806	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc(cc3)n4ccnn4	P53779	P45984	6.661543506395395	6.219682687859849	0.44186081853554615	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc(cc3F)N4CCOCC4	P53779	P45984	6.167491087293763	5.684029654543083	0.48346143275068076	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc(cc3OC)N4CCOCC4	P53779	P45984	6.795880017344075	6.920818753952375	0.1249387366082999	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc4c(c3)OCO4	P53779	P45984	6.486782399932061	6.09366495819491	0.393117441737151	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2C(F)(F)F)Nc3ccc4ccccc4c3	P53779	P45984	6.382999658879101	5.841637507904751	0.5413621509743507	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2Cl)Nc3ccc(cc3OC)N4CCOCC4	P53779	P45984	7.080921907623926	7.301029995663981	0.220108088040055	Same Family
[P45984, P53779]	CNC(=O)c1ccccc1Nc2cc(ncc2F)Nc3ccc(cc3OC)N4CCOCC4	P53779	P45984	6.494850021680094	6.229147988357856	0.2657020333222375	Same Family
[P45984, P53779]	COc1cc(cc(c1OC)OC)Nc2cc(ccn2)Nc3ccccc3C(=O)N	P53779	P45984	6.138465589140962	5.478861916295964	0.6596036728449981	Same Family
[P45984, P53779]	COc1cc(ccc1N2CCOCC2)Nc3ncc(c(n3)Nc4ccccc4C(=O)N)Cl	P53779	P45984	9.55284196865778	9.167491087293763	0.3853508813640172	Same Family
[P45984, P53779]	COc1cc(ccc1Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl)N4CCOCC4	P53779	P45984	9.102407705158788	8.522878745280337	0.5795289598784503	Same Family
[P45984, P53779]	COc1cc2c(cc1Cl)C(=NCC2)c3ccc(c(c3)Cl)Cl	P53779	P45984	6.899992934813097	6.0999990348465305	0.7999938999665668	Same Family
[P45984, P53779]	COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Cl	P53779	P45984	6.75000321026368	5.899998417198648	0.8500047930650316	Same Family
[P45984, P53779]	COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3C(=O)N)Cl	P53779	P45984	9.3767507096021	9.0	0.3767507096020992	Same Family
[P45984, P53779]	CS(=O)(=O)NC1CCC(CC1)Nc2nccc(n2)n3c4ccccc4nn3	P53779	P45984	6.943095148663527	7.013228265733755	0.07013311707022751	Same Family
[P45984, P53779]	C[S+](c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)[O-]	P53779	P45984	6.102372908709558	4.958607314841775	1.1437655938677835	Same Family
[P45984, P53779]	Cc1cc(ccc1N2CCOCC2)Nc3cc(c(cn3)C(F)(F)F)Nc4ccccc4C(=O)NC	P53779	P45984	6.761953896871205	6.0655015487564325	0.6964523481147724	Same Family
[P45984, P53779]	Cc1cc(ccc1N2CCOCC2)Nc3cc(ccn3)Nc4ccccc4C(=O)N	P53779	P45984	6.761953896871205	6.0655015487564325	0.6964523481147724	Same Family
[P45984, P53779]	Cc1cc(ccc1N2CCOCC2)Nc3ncc(c(n3)Nc4ccccc4C(=O)N)Cl	P53779	P45984	9.508638306165727	9.161150909262744	0.3474873969029826	Same Family
[P45984, P53779]	Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P53779	P45984	6.535628016145079	5.547293773488971	0.9883342426561077	Same Family
[P45984, P53779]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5	P53779	P45984	5.853871964321762	8.221848749616356	2.3679767852945943	Same Family
[P45984, P53779]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)NC(=O)C=CCN(C)C	P53779	P45984	5.110698297493689	5.373659632624958	0.2629613351312683	Same Family
[P45984, P53779]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P53779	P45984	6.838631997765025	6.761953896871205	0.07667810089381977	Same Family
[P45984, P53779]	Cc1ccc(cn1)CNC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	P53779	P45984	6.275295515883979	6.368556230986828	0.09326071510284883	Same Family
[P45984, P53779]	Cc1ccc(cn1)NC(=O)c2ccc(c(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl)F	P53779	P45984	7.096910013008056	6.8297382846050425	0.26717172840301373	Same Family
[P45984, P53779]	Cc1ccc(cn1)c2ncn(n2)c3ccc(cc3)Nc4nccc(n4)c5cccc(c5)N6CCOCC6	P53779	P45984	6.798602875679548	6.54821356447571	0.250389311203838	Same Family
[P45984, P53779]	Cc1nc(n(n1)c2ccc(cc2)Nc3cc(c(cn3)C(F)(F)F)Nc4ccccc4C(=O)NC)C	P53779	P45984	6.430626090384954	5.982966660701219	0.4476594296837346	Same Family
[P45984, P53779]	Cc1nc(n(n1)c2ccc(cc2)Nc3cc(ccn3)Nc4ccccc4C(=O)N)C	P53779	P45984	6.430626090384954	5.982966660701219	0.4476594296837346	Same Family
[P45984, P53779]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCCOCC5	P53779	P45984	6.889410289700751	6.4698003017969175	0.41960998790383375	Same Family
[P45984, P53779]	Cn1cc(cn1)c2c[nH]c3c2cc(cn3)C4CCC(CC4)N5CCOCC5	P53779	P45984	7.070581074285707	6.910094888560602	0.1604861857251052	Same Family
[P45984, P53779]	c1cc(c(c(c1)Cl)CC(=O)Nc2c(c(no2)c3ccc(cc3)F)c4ccncn4)F	P53779	P45984	6.242603971206976	6.703334809738469	0.460730838531493	Same Family
[P45984, P53779]	c1cc(c(cc1Br)c2nc3c(c(n2)Nc4ccncc4C(=O)NCCCN5CCCC5=O)nccn3)F	P53779	P45984	7.229147988357856	7.431798275933005	0.2026502875751488	Same Family
[P45984, P53779]	c1cc(ccc1N=c2[nH]ccc(n2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	P53779	P45984	6.8297382846050425	7.00436480540245	0.1746265207974078	Same Family
[P45984, P53779]	c1cc(ccc1c2c(c(on2)N)c3ccncn3)F	P53779	P45984	5.657774770639209	5.830913642512977	0.17313887187376764	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(c(c3)F)N4CCOCC4)Cl	P53779	P45984	9.602059991327963	9.292429823902063	0.3096301674258992	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)C#N)Cl	P53779	P45984	9.113509274827518	9.148741651280925	0.03523237645340771	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)Cl)Cl	P53779	P45984	8.602059991327963	7.468521082957745	1.1335389083702179	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)F)Cl	P53779	P45984	8.920818753952375	8.602059991327963	0.3187587626244124	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCCC4=O)Cl	P53779	P45984	9.795880017344075	9.619788758288394	0.17609125905568135	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P53779	P45984	9.537860356969059	9.0	0.537860356969059	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2c(cnc(n2)Nc3ccc(cc3F)N4CCOCC4)Cl	P53779	P45984	9.522878745280337	9.221848749616356	0.30102999566398125	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	P53779	P45984	6.795880017344075	6.482804102050026	0.313075915294049	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2ccnc(c2)Nc3ccc(cc3)n4ccnn4	P53779	P45984	6.661543506395395	6.219682687859849	0.44186081853554615	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2ccnc(c2)Nc3ccc(cc3F)N4CCOCC4	P53779	P45984	6.167491087293763	5.684029654543083	0.48346143275068076	Same Family
[P45984, P53779]	c1ccc(c(c1)C(=O)N)Nc2ccnc(c2)Nc3ccc4c(c3)OCO4	P53779	P45984	6.486782399932061	6.09366495819491	0.393117441737151	Same Family
[P45984, P53779]	c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)NCC4CCNCC4)Cl	P53779	P45984	6.204261782663378	6.507239610973162	0.3029778283097837	Same Family
[P45984, P53779]	c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CCCC4)C#N	P53779	P45984	6.699991797446187	6.499996931948306	0.1999948654978807	Same Family
[P45984, P53779]	c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N	P53779	P45984	5.499999678657065	5.300000202445418	0.19999947621164704	Same Family
[P45984, P53779]	c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)N(CCC4)C(=O)C5CC5)C#N	P53779	P45984	6.599997654072044	6.499996931948306	0.10000072212373734	Same Family
[P45984, P53779]	c1ccc2c(c1)nc(n2c3ccnc(c3)NC4CCCNC4)c5cccc(c5)O	P53779	P45984	5.730487055782084	5.661543506395395	0.06894354938668901	Same Family
[P45984, P53779]	c1ccc2c(c1)nnn2C3CCN(CC3)S(=O)(=O)c4ccc(s4)CNC(=O)c5ccc(cc5)Cl	P53779	P45984	6.823908740944319	6.187086643357144	0.6368220975871743	Same Family
[P45984, P53779]	c1ccc2cc(ccc2c1)Nc3cc(ccn3)Nc4ccccc4C(=O)N	P53779	P45984	6.382999658879101	5.841637507904751	0.5413621509743507	Same Family
[P45984, P53779]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	P53779	P45984	6.438898616350944	6.289036881004725	0.14986173534621905	Same Family
[P45984, P53779]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P53779	P45984	5.6777807052660805	5.301029995663981	0.3767507096020992	Same Family
[P12931, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q05397	5.356547323513812	4.552841968657781	0.8037053548560316	Different Family
[P12931, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q05397	4.5376020021010435	4.568636235841013	0.031034233739969608	Different Family
[P12931, Q05397]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	Q05397	5.657577319177793	5.518557371497695	0.13901994768009818	Different Family
[P12931, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	Q05397	5.064492734175287	5.341035157335565	0.27654242316027755	Different Family
[P12931, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q05397	4.3979400086720375	4.552841968657781	0.15490195998574308	Different Family
[P12931, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	Q05397	4.68837535480105	6.1001574545454496	1.4117820997444	Different Family
[P12931, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	Q05397	4.853871964321762	5.022276394711152	0.16840443038939057	Different Family
[P12931, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P12931	Q05397	5.040958607678906	4.3979400086720375	0.6430185990068686	Different Family
[P12931, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	Q05397	4.309803919971486	4.366531544420414	0.05672762444892765	Different Family
[P12931, Q05397]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P12931	Q05397	4.698970004336019	4.686132779630847	0.012837224705172012	Different Family
[P12931, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	Q05397	6.431798275933005	6.376750709602099	0.055047566330905795	Different Family
[P12931, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	Q05397	6.309803919971486	6.096910013008056	0.2128939069634299	Different Family
[P12931, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	Q05397	5.448550002027125	5.123782159408358	0.32476784261876723	Different Family
[P12931, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	Q05397	4.8996294548824375	4.787812395596042	0.11181705928639563	Different Family
[P12931, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P12931	Q05397	5.649751981665837	5.0034883278458215	0.6462636538200153	Different Family
[P12931, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	Q05397	5.8297382846050425	4.97061622231479	0.8591220622902522	Different Family
[P12931, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P12931	Q05397	5.663540266151471	5.016373712875465	0.6471665532760058	Different Family
[P12931, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P12931	Q05397	5.619788758288394	4.772113295386326	0.8476754629020675	Different Family
[P12931, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P12931	Q05397	5.718966632752273	4.87942606879415	0.8395405639581224	Different Family
[P12931, Q05397]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P12931	Q05397	4.705533773838407	5.1090204030103115	0.4034866291719048	Different Family
[P12931, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	Q05397	6.096910013008056	5.507239610973163	0.5896704020348933	Different Family
[P12931, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	Q05397	5.721246399047171	5.6777807052660805	0.043465693781090664	Different Family
[P12931, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	Q05397	6.154901959985743	5.455931955649724	0.6989700043360187	Different Family
[P12931, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	Q05397	6.920818753952375	5.920818753952375	1.0	Different Family
[P12931, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	Q05397	5.698970004336019	5.136677139879544	0.5622928644564746	Different Family
[P12931, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	Q05397	5.42021640338319	5.356547323513812	0.06366907986937775	Different Family
[P12931, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P35968	5.356547323513812	5.356547323513812	0.0	Different Family
[P12931, P35968]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P12931	P35968	6.823908740944319	5.5718652059712115	1.2520435349731072	Different Family
[P12931, P35968]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P12931	P35968	6.214670164989233	5.640164517660112	0.5745056473291212	Different Family
[P12931, P35968]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P12931	P35968	6.939302159646388	4.460923901207224	2.4783782584391645	Different Family
[P12931, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	P35968	7.431798275933005	8.397940008672037	0.9661417327390325	Different Family
[P12931, P35968]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P35968	4.5376020021010435	5.2839966563652006	0.7463946542641571	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCCN4CCN(CC4)C	P12931	P35968	7.221848749616356	6.167491087293763	1.0543576623225928	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCCN4CCN(CC4)C(=O)C	P12931	P35968	7.698970004336019	5.568636235841013	2.1303337684950057	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCCN4CCOCC4	P12931	P35968	7.522878745280337	5.721246399047171	1.8016323462331663	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCN4CCCC4	P12931	P35968	7.372363747448347	5.443697499232713	1.9286662482156336	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCN4CCN(CC4)C(=O)C	P12931	P35968	7.610924374808178	5.200659450546418	2.41026492426176	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc(n3)OC)Cl)OCCN4CCOCC4	P12931	P35968	7.309894379144197	5.5376020021010435	1.7722923770431533	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ccc4c3OCO4)Cl)OCCCN5CCCC5	P12931	P35968	7.301029995663981	5.920818753952375	1.3802112417116064	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3c(ncc(n3)OC)Cl)OCCN4CCN(CC4)C(=O)C	P12931	P35968	7.6259059864969	5.552841968657781	2.073064017839119	Different Family
[P12931, P35968]	CC(C)Oc1cc(cc2c1c(ncn2)Nc3cc(ccc3Cl)OC)OCCCN4CCOCC4	P12931	P35968	6.988858748171016	7.522878745280337	0.5340199971093211	Different Family
[P12931, P35968]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P12931	P35968	7.318758762624412	6.366531544420414	0.9522272182039986	Different Family
[P12931, P35968]	CC(c1ccccc1)Nc2cc(ccn2)c3c(nc(s3)C4CCN(CC4)C)c5ccc(cc5)F	P12931	P35968	5.096910013008056	5.769551078621726	0.6726410656136697	Different Family
[P12931, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P12931	P35968	7.122628654130226	6.982966660701219	0.13966199342900687	Different Family
[P12931, P35968]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	P35968	5.657577319177793	5.653647025549361	0.003930293628432224	Different Family
[P12931, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	P35968	5.064492734175287	5.317854923626168	0.25336218945088085	Different Family
[P12931, P35968]	CC1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C	P12931	P35968	6.206209615309182	6.806875401645539	0.6006657863363571	Different Family
[P12931, P35968]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P35968	4.3979400086720375	5.275724130399211	0.8777841217271733	Different Family
[P12931, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P12931	P35968	6.508638306165727	6.580044251510242	0.07140594534451505	Different Family
[P12931, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P12931	P35968	7.894573317342553	4.467247488450805	3.4273258288917487	Different Family
[P12931, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P12931	P35968	6.279014255846261	6.361510743045363	0.0824964871991023	Different Family
[P12931, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P12931	P35968	7.187086643357144	5.419075024324381	1.7680116190327633	Different Family
[P12931, P35968]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P12931	P35968	7.455931955649724	5.274088367704952	2.1818435879447726	Different Family
[P12931, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P12931	P35968	6.806875401645539	7.989405350465031	1.182529948819492	Different Family
[P12931, P35968]	CN1CCN(CC1)CCCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P12931	P35968	7.301029995663981	6.0	1.3010299956639813	Different Family
[P12931, P35968]	CN1CCN(CC1)CCCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5cc(ccc5Cl)OC	P12931	P35968	6.657577319177793	7.3979400086720375	0.7403626894942441	Different Family
[P12931, P35968]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P12931	P35968	4.517126416391246	7.809894379144197	3.2927679627529507	Different Family
[P12931, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P12931	P35968	6.537602002101044	7.926935982160881	1.3893339800598365	Different Family
[P12931, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	P35968	5.2403321553103694	5.107905397309519	0.13242675800085024	Different Family
[P12931, P35968]	COc1cc(c(cn1)Cl)Nc2c3c(cc(cc3OC4CCOCC4)OCCCN5CCOCC5)ncn2	P12931	P35968	6.3979400086720375	7.096910013008056	0.6989700043360187	Different Family
[P12931, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P12931	P35968	4.3872161432802645	4.958607314841775	0.5713911715615101	Different Family
[P12931, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	P35968	4.853871964321762	7.508638306165727	2.654766341843965	Different Family
[P12931, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P12931	P35968	5.346787486224656	5.508638306165727	0.16185081994107087	Different Family
[P12931, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P12931	P35968	5.040958607678906	5.795880017344075	0.7549214096651689	Different Family
[P12931, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	P35968	4.309803919971486	5.823908740944319	1.5141048209728325	Different Family
[P12931, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P12931	P35968	5.262012673666569	8.221848749616356	2.959836075949787	Different Family
[P12931, P35968]	COc1cc2c(cc1OCCCN3CCC(CC3)CO)ncnc2Nc4ncc(s4)CC(=O)Nc5cccc(c5)F	P12931	P35968	5.522878745280337	6.0	0.4771212547196626	Different Family
[P12931, P35968]	COc1ccc(c(c1)Nc2c3c(cc(cc3OC4CCOC4)OCCCN5CCOCC5)ncn2)Cl	P12931	P35968	7.0	7.301029995663981	0.30102999566398125	Different Family
[P12931, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	P35968	6.431798275933005	6.494850021680094	0.06305174574708872	Different Family
[P12931, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	P35968	6.309803919971486	6.4089353929735005	0.0991314730020143	Different Family
[P12931, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	P35968	5.448550002027125	5.2247537402597635	0.22379626176736167	Different Family
[P12931, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	P35968	4.8996294548824375	4.578396073130169	0.32123338175226834	Different Family
[P12931, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P12931	P35968	5.771086594005312	5.375717904164332	0.3953686898409803	Different Family
[P12931, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P12931	P35968	6.508638306165727	5.4089353929735005	1.0997029131922265	Different Family
[P12931, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P12931	P35968	4.301029995663981	8.349680610785484	4.0486506151215025	Different Family
[P12931, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P12931	P35968	8.397940008672037	8.638272163982407	0.24033215531036944	Different Family
[P12931, P35968]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P12931	P35968	8.522878745280337	8.56804131152107	0.045162566240732005	Different Family
[P12931, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P12931	P35968	5.649751981665837	5.337242168318426	0.3125098133474111	Different Family
[P12931, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	P35968	5.8297382846050425	5.314258261397736	0.5154800232073065	Different Family
[P12931, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P12931	P35968	5.663540266151471	5.221125527997261	0.44241473815421006	Different Family
[P12931, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P12931	P35968	5.619788758288394	5.305394801066432	0.31439395722196206	Different Family
[P12931, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P12931	P35968	5.718966632752273	5.361510743045363	0.3574558897069098	Different Family
[P12931, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P12931	P35968	7.769551078621726	7.769551078621726	0.0	Different Family
[P12931, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P12931	P35968	8.698970004336019	9.0	0.30102999566398125	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P12931	P35968	8.522878745280337	6.376750709602099	2.146128035678238	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P12931	P35968	7.008773924307505	6.229147988357856	0.7796259359496487	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC(C)C)F)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P12931	P35968	7.886056647693163	5.318758762624412	2.5672978850687507	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)N5CCN(CC5)C)OC)C	P12931	P35968	9.0	6.769551078621726	2.230448921378274	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	P35968	9.0	6.853871964321762	2.146128035678238	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCN(CC5)C)OC)C	P12931	P35968	9.0	6.638272163982407	2.361727836017593	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCN5CCOCC5)OC)C	P12931	P35968	8.698970004336019	6.769551078621726	1.9294189257142929	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C	P12931	P35968	8.698970004336019	6.585026652029182	2.113943352306837	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCCCC5)C	P12931	P35968	7.920818753952375	6.2076083105017466	1.7132104434506283	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)F)OCCCN5CCN(CC5)C)C	P12931	P35968	8.301029995663981	6.229147988357856	2.071882007306125	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	P12931	P35968	8.698970004336019	6.853871964321762	1.845098040014257	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(c(c4)OC)OCCCN5CCN(CC5)C)C	P12931	P35968	8.698970004336019	6.6777807052660805	2.0211892990699383	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P12931	P35968	8.221848749616356	6.1938200260161125	2.0280287236002437	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCCN(C)C)C	P12931	P35968	8.397940008672037	6.638272163982407	1.7596678446896306	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN(C)C)C	P12931	P35968	8.397940008672037	6.657577319177793	1.740362689494244	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCCCC5)C	P12931	P35968	8.154901959985743	6.455931955649724	1.6989700043360187	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4ccc(cc4)OCCN5CCN(CC5)C)C	P12931	P35968	8.221848749616356	6.2441251443275085	1.9777236052888476	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccc3ccccc3c2)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P12931	P35968	7.853871964321762	6.886056647693163	0.9678153166285988	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2cccc(c2)c3ccccc3)c4ccnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C	P12931	P35968	6.301029995663981	5.721246399047171	0.5797835966168101	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccccc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P12931	P35968	8.0	6.721246399047171	1.2787536009528289	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccccc2OC)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C	P12931	P35968	8.397940008672037	6.721246399047171	1.6766936096248664	Different Family
[P12931, P35968]	Cc1cccc(c1OC(=O)N(c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)c5cc(ccc5OC)OC)C	P12931	P35968	9.0	6.698970004336019	2.3010299956639813	Different Family
[P12931, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P12931	P35968	8.174360993000928	6.255707016877324	1.918653976123604	Different Family
[P12931, P35968]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P12931	P35968	4.705533773838407	5.436518914605589	0.7309851407671824	Different Family
[P12931, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P12931	P35968	4.4089353929735005	4.508638306165727	0.09970291319222646	Different Family
[P12931, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P35968	6.096910013008056	6.102372908709558	0.005462895701501935	Different Family
[P12931, P35968]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P12931	P35968	7.853871964321762	7.3872161432802645	0.4666558210414973	Different Family
[P12931, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4N5CCOCC5)OCCN6CCCC6)ncn3)Cl	P12931	P35968	6.662799093577359	5.301029995663981	1.3617690979133776	Different Family
[P12931, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P12931	P35968	7.187086643357144	5.6020599913279625	1.5850266520291818	Different Family
[P12931, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P35968	5.721246399047171	5.920818753952375	0.19957235490520375	Different Family
[P12931, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	P35968	6.154901959985743	6.221848749616356	0.06694678963061307	Different Family
[P12931, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	P35968	6.920818753952375	6.552841968657781	0.3679767852945943	Different Family
[P12931, P35968]	c1cc(c2c(c1)OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3	P12931	P35968	6.9604093769761874	7.0	0.039590623023812554	Different Family
[P12931, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Nc3c4c5c(sc4ncn3)CCCC5	P12931	P35968	5.11690664142431	6.508638306165727	1.3917316647414166	Different Family
[P12931, P35968]	c1cc(cc(c1)Br)NC(=O)Nc2ccc(cc2)Oc3c4c5c(sc4ncn3)CCCC5	P12931	P35968	5.0726296369609765	7.958607314841775	2.885977677880798	Different Family
[P12931, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P12931	P35968	5.337242168318426	5.301029995663981	0.03621217265444443	Different Family
[P12931, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P12931	P35968	5.6020599913279625	6.0	0.3979400086720375	Different Family
[P12931, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	P35968	5.698970004336019	5.886056647693163	0.1870866433571443	Different Family
[P12931, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P12931	P35968	8.102372908709558	8.113509274827518	0.01113636611795954	Different Family
[P12931, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P12931	P35968	5.337242168318426	5.3872161432802645	0.04997397496183886	Different Family
[P12931, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P12931	P35968	5.3979400086720375	5.1487416512809245	0.24919835739111296	Different Family
[P12931, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CC(C(C5)O)O	P12931	P35968	7.075720713938118	6.568636235841013	0.5070844780971049	Different Family
[P12931, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCC(C5)O	P12931	P35968	7.055517327849832	7.070581074285707	0.01506374643587538	Different Family
[P12931, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	P12931	P35968	6.703356966489771	5.5783586887380725	1.1249982777516987	Different Family
[P12931, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P12931	P35968	7.3979400086720375	6.0	1.3979400086720375	Different Family
[P12931, P35968]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P12931	P35968	7.494850021680094	6.071604147743286	1.423245873936808	Different Family
[P12931, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P35968	5.42021640338319	5.3872161432802645	0.03300026010292534	Different Family
[O60674, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P12931	O60674	6.3585258894959	8.221848749616356	1.863322860120456	Different Family
[O60674, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P12931	O60674	6.537602002101044	5.920818753952375	0.6167832481486695	Different Family
[O60674, P12931]	Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)nc[nH]4	P12931	O60674	5.6136794261059535	5.513144644723057	0.10053478138289673	Different Family
[O60674, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P12931	O60674	5.771086594005312	5.940108206919151	0.16902161291383866	Different Family
[O60674, P12931]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P12931	O60674	8.397940008672037	6.27083521030723	2.1271047983648073	Different Family
[O60674, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	O60674	9.0	6.619788758288394	2.3802112417116064	Different Family
[O60674, P12931]	Cn1cc(cn1)c2cc(c3nnc(n3c2)Sc4ccc5c(c4)c6c(cn5)N(C(=O)CO6)C)F	P12931	O60674	4.8109871953997585	4.67670663865476	0.13428055674499806	Different Family
[O60674, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P12931	O60674	5.337242168318426	5.251811972993799	0.08543019532462637	Different Family
[O60674, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P12931	O60674	5.6020599913279625	5.568636235841013	0.033423755486949425	Different Family
[O60674, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P12931	O60674	5.337242168318426	5.327902142064283	0.009340026254142764	Different Family
[P12931, P53350]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	P53350	5.657577319177793	4.0	1.6575773191777934	Different Group
[P12931, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	P53350	5.064492734175287	4.663540266151471	0.40095246802381634	Different Group
[P12931, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	P53350	6.431798275933005	5.497572880015567	0.934225395917438	Different Group
[P12931, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	P53350	6.309803919971486	5.199970640755866	1.1098332792156205	Different Group
[P12931, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	P53350	5.448550002027125	4.928117992693875	0.5204320093332502	Different Group
[P12931, P53350]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	P53350	5.8297382846050425	4.0	1.8297382846050425	Different Group
[P12931, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P53350	6.096910013008056	5.476253533188435	0.6206564798196208	Different Group
[P12931, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P53350	5.721246399047171	5.4089353929735005	0.3123110060736707	Different Group
[P12931, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	P53350	6.154901959985743	5.1938200260161125	0.9610819339696306	Different Group
[P12931, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	P53350	6.920818753952375	5.2403321553103694	1.6804865986420054	Different Group
[P12931, P53350]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P53350	5.42021640338319	5.00436480540245	0.41585159798073956	Different Group
[P08631, P12931]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P12931	P08631	5.043351420794797	5.913640169325252	0.8702887485304549	Same Family
[P08631, P12931]	CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	P12931	P08631	6.619788758288394	7.055517327849832	0.43572856956143813	Same Family
[P08631, P12931]	CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	P12931	P08631	7.823908740944319	7.638272163982407	0.18563657696191171	Same Family
[P08631, P12931]	CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	P12931	P08631	6.790484985457369	7.337242168318426	0.5467571828610565	Same Family
[P08631, P12931]	CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N4CCC(=O)N4C(=C3)c5c(cccc5Cl)Cl	P12931	P08631	8.522878745280337	7.318758762624412	1.204119982655925	Same Family
[P08631, P12931]	CN(C)c1ccc(cc1)Nc2ncc3c(n2)N4CCC(=O)N4C(=C3)c5cc(ccc5Cl)O	P12931	P08631	6.5638373529592435	6.262807357295263	0.30102999566398037	Same Family
[P08631, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N5CCC(=O)N5C(=C4)c6cc(ccc6Cl)O	P12931	P08631	6.11690664142431	6.341035157335565	0.2241285159112545	Same Family
[P08631, P12931]	COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	P12931	P08631	6.769551078621726	6.886056647693163	0.11650556907143717	Same Family
[P08631, P12931]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P12931	P08631	7.173925197299173	7.00436480540245	0.16956039189672278	Same Family
[P08631, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P12931	P08631	7.3979400086720375	7.657577319177793	0.2596373105057559	Same Family
[P08631, P12931]	Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	P12931	P08631	5.958607314841775	6.585026652029182	0.6264193371874072	Same Family
[P08631, P12931]	c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	P12931	P08631	7.853871964321762	8.096910013008056	0.24303804868629442	Same Family
[P08631, P12931]	c1cc(c(c(c1)Cl)C2=Cc3cnc(nc3N4N2C(=O)CC4)Nc5ccc(cc5)N6CCOCC6)Cl	P12931	P08631	6.982966660701219	6.795880017344075	0.1870866433571443	Same Family
[P11362, P12931]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	P11362	7.431798275933005	7.886056647693163	0.45425837176015804	Different Family
[P11362, P12931]	CCN(CCOc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl)C(=O)C	P12931	P11362	8.044312249686493	6.61261017366127	1.431702076025223	Different Family
[P11362, P12931]	CCOc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P12931	P11362	7.787812395596042	6.345823458122039	1.4419889374740027	Different Family
[P11362, P12931]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P12931	P11362	6.806875401645539	7.2677386874207635	0.4608632857752246	Different Family
[P11362, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P12931	P11362	6.3585258894959	6.795880017344075	0.43735412784817473	Different Family
[P11362, P12931]	COc1cc2c(cc1OC)-c3c(c([nH]n3)Nc4cccc(c4)F)C2	P12931	P11362	6.732828271596986	4.33913452199613	2.393693749600856	Different Family
[P11362, P12931]	Cc1cc(ccc1F)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl	P12931	P11362	7.774690718274137	6.029653123769907	1.7450375945042298	Different Family
[P11362, P12931]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P12931	P11362	8.397940008672037	8.744727494896694	0.34678748622465605	Different Family
[P11362, P12931]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P12931	P11362	8.522878745280337	9.154901959985743	0.6320232147054057	Different Family
[P11362, P12931]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P12931	P11362	9.41195437047216	6.055517327849832	3.3564370426223276	Different Family
[P11362, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	P11362	9.0	6.958607314841775	2.0413926851582254	Different Family
[P11362, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P12931	P11362	8.174360993000928	6.017728766960432	2.1566322260404958	Different Family
[P11362, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N5CCOCC5	P12931	P11362	8.078313524516398	7.005243055412372	1.0730704691040263	Different Family
[P11362, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)CO	P12931	P11362	7.806091604354698	7.211124884224583	0.594966720130115	Different Family
[P11362, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4cccc(c4)SC	P12931	P11362	7.610833915635467	5.903089986991944	1.7077439286435236	Different Family
[P11362, P12931]	Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccccc4	P12931	P11362	7.795880017344075	7.522878745280337	0.2730012720637376	Different Family
[P11362, P12931]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P12931	P11362	7.187086643357144	4.431798275933005	2.7552883674241393	Different Family
[P11362, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P12931	P11362	8.102372908709558	7.920818753952375	0.18155415475718328	Different Family
[P11362, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P12931	P11362	5.3979400086720375	5.366531544420414	0.03140846425162369	Different Family
[P11362, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCCO5	P12931	P11362	6.1904402853647325	7.200659450546419	1.0102191651816863	Different Family
[P11362, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCCO5	P12931	P11362	6.192464971931146	6.749579997691106	0.55711502575996	Different Family
[P11362, P12931]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P12931	P11362	7.494850021680094	7.200659450546419	0.29419057113367497	Different Family
[P08581, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P08581	5.356547323513812	4.5376020021010435	0.8189453214127687	Different Family
[P08581, P12931]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	P08581	5.657577319177793	4.394694953858891	1.2628823653189025	Different Family
[P08581, P12931]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	P08581	5.064492734175287	5.505845405981558	0.44135267180627036	Different Family
[P08581, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P12931	P08581	5.363512103646634	6.752026733638194	1.3885146299915592	Different Family
[P08581, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P12931	P08581	6.537602002101044	5.1938200260161125	1.3437819760849319	Different Family
[P08581, P12931]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P12931	P08581	6.142667503568732	4.863279432843593	1.2793880707251386	Different Family
[P08581, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	P08581	5.2403321553103694	4.6020599913279625	0.6382721639824069	Different Family
[P08581, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	P08581	4.68837535480105	4.455931955649724	0.23244339915132528	Different Family
[P08581, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	P08581	4.309803919971486	4.346787486224656	0.0369835662531699	Different Family
[P08581, P12931]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P12931	P08581	5.262012673666569	5.636388020107856	0.3743753464412869	Different Family
[P08581, P12931]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P12931	P08581	5.432973633840939	4.986320302708807	0.4466533311321319	Different Family
[P08581, P12931]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	P08581	6.431798275933005	6.236572006437063	0.1952262694959419	Different Family
[P08581, P12931]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	P08581	6.309803919971486	5.950781977329818	0.3590219426416681	Different Family
[P08581, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	P08581	5.448550002027125	5.06398920428479	0.38456079774233487	Different Family
[P08581, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	P08581	4.8996294548824375	5.015472686656207	0.11584323177376987	Different Family
[P08581, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P12931	P08581	5.771086594005312	5.6860800803851195	0.08500651362019251	Different Family
[P08581, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P12931	P08581	5.649751981665837	4.3223930472795065	1.3273589343863303	Different Family
[P08581, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	P08581	5.8297382846050425	4.560667306169737	1.2690709784353054	Different Family
[P08581, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P12931	P08581	5.663540266151471	4.145693958198919	1.517846307952552	Different Family
[P08581, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P12931	P08581	5.619788758288394	4.468521082957745	1.151267675330649	Different Family
[P08581, P12931]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P12931	P08581	5.718966632752273	4.107905397309519	1.6110612354427536	Different Family
[P08581, P12931]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	P08581	9.0	5.619788758288394	3.3802112417116064	Different Family
[P08581, P12931]	Cn1cc(cn1)c2cc(c3nnc(n3c2)Sc4ccc5c(c4)c6c(cn5)N(C(=O)CO6)C)F	P12931	P08581	4.8109871953997585	9.154901959985743	4.343914764585985	Different Family
[P08581, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P12931	P08581	4.7447274948966935	3.7375489102695707	1.0071785846271228	Different Family
[P08581, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P08581	6.096910013008056	6.236572006437063	0.13966199342900687	Different Family
[P08581, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P08581	5.721246399047171	5.958607314841775	0.2373609157946035	Different Family
[P08581, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	P08581	6.154901959985743	6.096910013008056	0.05799194697768684	Different Family
[P08581, P12931]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	P08581	6.920818753952375	6.236572006437063	0.6842467475153118	Different Family
[P08581, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P12931	P08581	5.337242168318426	5.2441251443275085	0.09311702399091715	Different Family
[P08581, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P12931	P08581	5.6020599913279625	5.366531544420414	0.2355284469075487	Different Family
[P08581, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	P08581	5.698970004336019	5.552841968657781	0.14612803567823818	Different Family
[P08581, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P12931	P08581	8.102372908709558	6.962573502059376	1.139799406650182	Different Family
[P08581, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P12931	P08581	5.337242168318426	5.292429823902063	0.04481234441636239	Different Family
[P08581, P12931]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P08581	5.42021640338319	5.481486060122113	0.06126965673892304	Different Family
[O00444, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O00444	5.356547323513812	4.552841968657781	0.8037053548560316	Different Group
[O00444, P12931]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O00444	4.5376020021010435	4.356547323513813	0.18105467858723046	Different Group
[O00444, P12931]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O00444	4.3979400086720375	4.455931955649724	0.05799194697768684	Different Group
[O00444, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P12931	O00444	4.3872161432802645	5.113509274827518	0.7262931315472532	Different Group
[O00444, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	O00444	4.68837535480105	6.00436480540245	1.3159894506014007	Different Group
[O00444, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	O00444	4.853871964321762	5.0	0.14612803567823818	Different Group
[O00444, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	O00444	4.309803919971486	5.045757490560675	0.7359535705891886	Different Group
[O00444, P12931]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P12931	O00444	4.4089353929735005	4.337242168318426	0.07169322465507477	Different Group
[O00444, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	O00444	6.096910013008056	5.527243550682788	0.5696664623252685	Different Group
[O00444, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	O00444	5.721246399047171	5.3872161432802645	0.3340302557669066	Different Group
[O00444, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	O00444	6.154901959985743	6.154901959985743	0.0	Different Group
[O00444, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	O00444	5.698970004336019	5.721246399047171	0.022276394711152392	Different Group
[P07948, P12931]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P12931	P07948	5.043351420794797	5.928117992693875	0.8847665718990783	Same Family
[P07948, P12931]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P12931	P07948	6.806875401645539	6.709965388637482	0.09691001300805713	Same Family
[P07948, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	P07948	5.2403321553103694	5.309803919971486	0.06947176466111671	Same Family
[P07948, P12931]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P12931	P07948	5.771086594005312	5.856430705489719	0.08534411148440668	Same Family
[P07948, P12931]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P12931	P07948	7.173925197299173	7.176896193896658	0.0029709965974848984	Same Family
[P07948, P12931]	Cc1ccc(cc1CNc2cc3cc([nH]c3nc2)C(=O)OC)NC(=O)c4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	P12931	P07948	7.3979400086720375	7.431798275933005	0.03385826726096752	Same Family
[P07948, P12931]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P12931	P07948	8.174360993000928	7.6777807052660805	0.4965802877348473	Same Family
[P07948, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P12931	P07948	3.8239087409443187	3.749579997691106	0.0743287432532127	Same Family
[P07948, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P12931	P07948	4.7447274948966935	4.853871964321762	0.10914446942506828	Same Family
[P07948, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P12931	P07948	5.337242168318426	5.309803919971486	0.02743824834693953	Same Family
[P07948, P12931]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P12931	P07948	5.6020599913279625	5.468521082957745	0.13353890837021787	Same Family
[P07948, P12931]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P12931	P07948	8.102372908709558	8.397940008672037	0.2955670999624793	Same Family
[P07948, P12931]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P12931	P07948	5.337242168318426	5.1249387366083	0.21230343171012578	Same Family
[P07948, P12931]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P12931	P07948	5.3979400086720375	5.853871964321762	0.45593195564972433	Same Family
[P12931, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q02763	5.356547323513812	4.958607314841775	0.3979400086720375	Different Family
[P12931, Q02763]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P12931	Q02763	6.823908740944319	5.154901959985743	1.6690067809585756	Different Family
[P12931, Q02763]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P12931	Q02763	6.214670164989233	5.5718652059712115	0.6428049590180214	Different Family
[P12931, Q02763]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P12931	Q02763	6.939302159646388	6.040958607678906	0.8983435519674821	Different Family
[P12931, Q02763]	CC(C)(Cc1ccccc1)C(=O)Nc2ccc(cc2OC)c3c4c(ncnc4n(n3)C5CCC(CC5)N6CCN(CC6)C)N	P12931	Q02763	6.337242168318426	5.841637507904751	0.495604660413675	Different Family
[P12931, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	Q02763	7.431798275933005	7.479303657420887	0.0475053814878823	Different Family
[P12931, Q02763]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q02763	4.5376020021010435	4.958607314841775	0.42100531274073116	Different Family
[P12931, Q02763]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P12931	Q02763	7.318758762624412	6.366531544420414	0.9522272182039986	Different Family
[P12931, Q02763]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	Q02763	4.3979400086720375	4.619788758288394	0.22184874961635614	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)Cc5ccc(c(c5)OC)NC(=O)C6CC6c7ccccc7)c(ncn4)N	P12931	Q02763	7.568636235841013	6.560667306169737	1.007968929671276	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)CCc6ccccc6)c(ncn4)N	P12931	Q02763	6.809668301829708	5.610833915635467	1.1988343861942408	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P12931	Q02763	6.508638306165727	6.0301183562535	0.47851994991222657	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P12931	Q02763	7.894573317342553	6.283162276700476	1.6114110406420776	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7[nH]6)c(ncn4)N	P12931	Q02763	7.251811972993799	6.2839966563652006	0.9678153166285988	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7o6)c(ncn4)N	P12931	Q02763	7.305328344373962	5.969160692377331	1.3361676519966306	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6ccccc6)c(ncn4)N	P12931	Q02763	6.723538195826756	5.329754146925876	1.39378404890088	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccccc6)c(ncn4)N	P12931	Q02763	7.167491087293763	5.94692155651658	1.2205695307771833	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NCc6ccco6)c(ncn4)N	P12931	Q02763	7.013228265733755	5.991399828238082	1.0218284374956728	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)Nc6ccccc6)c(ncn4)N	P12931	Q02763	6.334419008982047	6.051587034221399	0.28283197476064803	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NS(=O)(=O)c6ccccc6)c(ncn4)N	P12931	Q02763	5.496209316942819	6.863279432843593	1.3670701159007743	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)C(=O)c6ccccc6)c(ncn4)N	P12931	Q02763	6.369572124974976	5.24184537803261	1.1277267469423657	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P12931	Q02763	6.279014255846261	6.692503962086787	0.4134897062405267	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P12931	Q02763	7.187086643357144	6.217527375833714	0.9695592675234304	Different Family
[P12931, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P12931	Q02763	7.455931955649724	6.1249387366083	1.3309932190414244	Different Family
[P12931, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P12931	Q02763	4.517126416391246	5.337242168318426	0.8201157519271796	Different Family
[P12931, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P12931	Q02763	6.142667503568732	5.497572880015567	0.6450946235531649	Different Family
[P12931, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	Q02763	5.2403321553103694	7.365243527891042	2.124911372580673	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P12931	Q02763	4.3872161432802645	4.468521082957745	0.08130493967748009	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	Q02763	4.68837535480105	5.841805124463402	1.1534297696623526	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	Q02763	4.853871964321762	5.2839966563652006	0.4301246920434387	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P12931	Q02763	5.346787486224656	4.585026652029182	0.7617608341954742	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P12931	Q02763	5.040958607678906	4.958607314841775	0.0823512928371315	Different Family
[P12931, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	Q02763	4.309803919971486	5.769551078621726	1.4597471586502397	Different Family
[P12931, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P12931	Q02763	4.301029995663981	6.769551078621726	2.4685210829577446	Different Family
[P12931, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P12931	Q02763	8.397940008672037	8.657577319177793	0.2596373105057559	Different Family
[P12931, Q02763]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	Q02763	9.0	6.698970004336019	2.3010299956639813	Different Family
[P12931, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P12931	Q02763	8.174360993000928	6.168770306132936	2.0055906868679916	Different Family
[P12931, Q02763]	Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	P12931	Q02763	7.154901959985743	5.828566099056991	1.3263358609287517	Different Family
[P12931, Q02763]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P12931	Q02763	4.4089353929735005	4.318758762624412	0.09017663034908807	Different Family
[P12931, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	Q02763	6.096910013008056	6.585026652029182	0.48811663902112556	Different Family
[P12931, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	Q02763	5.721246399047171	6.096910013008056	0.3756636139608851	Different Family
[P12931, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	Q02763	6.154901959985743	6.221848749616356	0.06694678963061307	Different Family
[P12931, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	Q02763	5.698970004336019	5.7447274948966935	0.045757490560674796	Different Family
[P12931, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CC(C(C5)O)O	P12931	Q02763	7.075720713938118	6.823908740944319	0.2518119729937993	Different Family
[P12931, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCC(C5)O	P12931	Q02763	7.055517327849832	7.2343314452409855	0.17881411739115372	Different Family
[P12931, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	P12931	Q02763	6.703356966489771	5.372863761339187	1.3304932051505842	Different Family
[P12931, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P12931	Q02763	7.3979400086720375	6.221848749616356	1.1760912590556813	Different Family
[P12931, Q9UM73]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	Q9UM73	7.431798275933005	6.87942606879415	0.5523722071388546	Different Group
[P12931, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	Q9UM73	5.657577319177793	6.013228265733755	0.3556509465559614	Different Group
[P12931, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	Q9UM73	5.064492734175287	5.6595558851598815	0.5950631509845943	Different Group
[P12931, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P12931	Q9UM73	6.3585258894959	6.844663962534939	0.48613807303903833	Different Group
[P12931, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P12931	Q9UM73	6.537602002101044	5.638272163982407	0.8993298381186374	Different Group
[P12931, Q9UM73]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P12931	Q9UM73	4.698970004336019	5.0301183562535	0.3311483519174816	Different Group
[P12931, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	Q9UM73	6.431798275933005	6.7447274948966935	0.3129292189636885	Different Group
[P12931, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	Q9UM73	6.309803919971486	6.6020599913279625	0.29225607135647635	Different Group
[P12931, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	Q9UM73	5.448550002027125	5.29929628285498	0.1492537191721448	Different Group
[P12931, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	Q9UM73	4.8996294548824375	5.010550182333308	0.11092072745087034	Different Group
[P12931, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P12931	Q9UM73	5.649751981665837	5.380906669373258	0.26884531229257913	Different Group
[P12931, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	Q9UM73	5.8297382846050425	5.360513510731414	0.4692247738736288	Different Group
[P12931, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P12931	Q9UM73	5.663540266151471	5.325138859262188	0.33840140688928244	Different Group
[P12931, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P12931	Q9UM73	5.619788758288394	5.0301183562535	0.5896704020348933	Different Group
[P12931, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P12931	Q9UM73	5.718966632752273	5.1220530483708115	0.5969135843814612	Different Group
[P12931, Q9UM73]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P12931	Q9UM73	4.705533773838407	5.471083299722345	0.7655495258839382	Different Group
[P12931, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	Q9UM73	6.920818753952375	5.478861916295964	1.4419568376564111	Different Group
[P12931, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P12931	Q9UM73	5.337242168318426	5.465907069126919	0.12866490080849324	Different Group
[P12931, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P12931	Q9UM73	5.6020599913279625	5.789198036565084	0.18713804523712163	Different Group
[P12931, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P12931	Q9UM73	5.337242168318426	5.41369853439507	0.07645636607664397	Different Group
[P12931, P31749]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P12931	P31749	5.657577319177793	4.135488918941608	1.5220884002361856	Different Group
[P12931, P31749]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	P31749	5.064492734175287	4.315154638355588	0.7493380958196996	Different Group
[P12931, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	P31749	5.2403321553103694	4.0	1.2403321553103694	Different Group
[P12931, P31749]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	P31749	6.431798275933005	5.667561540084395	0.76423673584861	Different Group
[P12931, P31749]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	P31749	6.309803919971486	5.39040559077478	0.9193983291967065	Different Group
[P12931, P31749]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	P31749	5.448550002027125	4.634512015109101	0.8140379869180245	Different Group
[P12931, P31749]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P12931	P31749	4.301029995663981	4.301029995663981	0.0	Different Group
[P12931, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P12931	P31749	3.8239087409443187	4.853871964321762	1.0299632233774432	Different Group
[P12931, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P12931	P31749	4.7447274948966935	5.795880017344075	1.0511525224473814	Different Group
[P12931, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P31749	6.096910013008056	5.476253533188435	0.6206564798196208	Different Group
[P12931, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P31749	5.721246399047171	5.721246399047171	0.0	Different Group
[P12931, P31749]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	P31749	6.920818753952375	5.268411234813262	1.6524075191391132	Different Group
[P12931, P31749]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P12931	P31749	8.102372908709558	7.958607314841775	0.14376559386778354	Different Group
[P12931, P31749]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P12931	P31749	4.91721462968355	8.744727494896694	3.8275128652131434	Different Group
[P12931, P31749]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)F)N	P12931	P31749	4.7447274948966935	8.455931955649724	3.711204460753031	Different Group
[P12931, P31749]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P12931	P31749	6.318758762624412	8.468521082957745	2.1497623203333323	Different Group
[P12931, P31749]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P31749	5.42021640338319	5.045757490560675	0.3744589128225151	Different Group
[O14965, P12931]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O14965	5.356547323513812	4.522878745280337	0.8336685782334747	Different Group
[O14965, P12931]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	O14965	7.431798275933005	7.376750709602099	0.055047566330905795	Different Group
[O14965, P12931]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O14965	4.5376020021010435	4.481486060122113	0.05611594197893055	Different Group
[O14965, P12931]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	O14965	4.3979400086720375	4.5376020021010435	0.13966199342900598	Different Group
[O14965, P12931]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P12931	O14965	5.363512103646634	6.966576244513051	1.6030641408664161	Different Group
[O14965, P12931]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P12931	O14965	6.1487416512809245	7.327902142064283	1.1791604907833584	Different Group
[O14965, P12931]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	O14965	5.2403321553103694	4.6020599913279625	0.6382721639824069	Different Group
[O14965, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P12931	O14965	4.3872161432802645	5.494850021680094	1.1076338783998292	Different Group
[O14965, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	O14965	4.68837535480105	5.135985522789741	0.44761016798869147	Different Group
[O14965, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	O14965	4.853871964321762	4.795880017344075	0.05799194697768684	Different Group
[O14965, P12931]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	O14965	4.309803919971486	5.187086643357144	0.8772827233856582	Different Group
[O14965, P12931]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P12931	O14965	4.301029995663981	6.119186407719209	1.8181564120552274	Different Group
[O14965, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P12931	O14965	3.8239087409443187	5.107905397309519	1.2839966563652006	Different Group
[O14965, P12931]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P12931	O14965	4.7447274948966935	5.008773924307505	0.26404642941081136	Different Group
[O14965, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	O14965	6.096910013008056	5.605548319173784	0.4913616938342722	Different Group
[O14965, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	O14965	5.721246399047171	7.0	1.2787536009528289	Different Group
[O14965, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	O14965	6.154901959985743	5.585026652029182	0.5698753079565613	Different Group
[O14965, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	O14965	5.698970004336019	5.4089353929735005	0.2900346113625183	Different Group
[O14965, P12931]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	P12931	O14965	5.517126416391246	6.6020599913279625	1.0849335749367164	Different Group
[P12931, P30530]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P12931	P30530	7.122628654130226	6.769551078621726	0.3530775755085003	Different Family
[P12931, P30530]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	P30530	5.064492734175287	4.882728704344236	0.18176402983105167	Different Family
[P12931, P30530]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P12931	P30530	5.432973633840939	7.214670164989233	1.7816965311482935	Different Family
[P12931, P30530]	Cc1c(c(c(c(c1O)O)O)C=O)COC	P12931	P30530	4.698970004336019	4.958607314841775	0.2596373105057559	Different Family
[P12931, P30530]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	P30530	6.431798275933005	6.795880017344075	0.36408174141106997	Different Family
[P12931, P30530]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	P30530	6.309803919971486	6.657577319177793	0.34777339920630723	Different Family
[P12931, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	P30530	5.448550002027125	5.609064892896621	0.16051489086949555	Different Family
[P12931, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	P30530	4.8996294548824375	5.1944991418416	0.2948696869591627	Different Family
[P12931, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P12931	P30530	5.649751981665837	4.8326826652518236	0.8170693164140133	Different Family
[P12931, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P12931	P30530	5.8297382846050425	4.694648630553377	1.135089654051666	Different Family
[P12931, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P12931	P30530	5.663540266151471	4.486782399932061	1.1767578662194103	Different Family
[P12931, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P12931	P30530	5.619788758288394	4.6595558851598815	0.9602328731285121	Different Family
[P12931, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P12931	P30530	5.718966632752273	4.772113295386326	0.9468533373659467	Different Family
[P12931, P30530]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P12931	P30530	4.705533773838407	4.8326826652518236	0.1271488914134169	Different Family
[P12931, P30530]	Cn1cc(cn1)c2cc(c3nnc(n3c2)Sc4ccc5c(c4)c6c(cn5)N(C(=O)CO6)C)F	P12931	P30530	4.8109871953997585	5.060980223551334	0.2499930281515752	Different Family
[P12931, P30530]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	P30530	6.920818753952375	6.017728766960432	0.9030899869919429	Different Family
[P12931, P30530]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P30530	5.42021640338319	5.356547323513812	0.06366907986937775	Different Family
[P12931, P41279]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P41279	5.356547323513812	5.017728766960432	0.3388185565533801	Different Group
[P12931, P41279]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P12931	P41279	4.853871964321762	4.494850021680094	0.3590219426416681	Different Group
[P12931, P41279]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P12931	P41279	4.309803919971486	4.3979400086720375	0.08813608870055134	Different Group
[P12931, P41279]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P41279	6.096910013008056	5.6252516539898965	0.4716583590181598	Different Group
[P12931, P41279]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P41279	5.721246399047171	5.795880017344075	0.07463361829690385	Different Group
[P12931, P41279]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	P41279	6.154901959985743	5.886056647693163	0.26884531229258	Different Group
[P12931, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Br)NCc4c[nH]nn4)Cl)F	P12931	P41279	4.38933983691012	7.7447274948966935	3.355387657986573	Different Group
[P12931, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)Cl)NCc4cnc[nH]4)Cl)F	P12931	P41279	4.701146923590294	7.809894379144197	3.108747455553903	Different Group
[P12931, P41279]	c1cc(c(cc1Nc2c3cc(cc(c3ncc2C#N)F)NCc4c[nH]cn4)Cl)F	P12931	P41279	4.698970004336019	7.698970004336019	3.0	Different Group
[P12931, P41279]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	P41279	5.698970004336019	5.481486060122113	0.21748394421390582	Different Group
[P12931, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P12931	P54760	5.356547323513812	4.698970004336019	0.6575773191777934	Different Family
[P12931, P54760]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccc(cc4C)F	P12931	P54760	6.958607314841775	7.021811631572858	0.06320431673108295	Different Family
[P12931, P54760]	CCCCn1c(cn2c1nc3c2c(=O)[nH]c(=O)n3C)c4ccccc4C	P12931	P54760	7.1487416512809245	7.213009372091355	0.06426772081043008	Different Family
[P12931, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	P54760	5.2403321553103694	5.080921907623926	0.15941024768644318	Different Family
[P12931, P54760]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	P54760	4.68837535480105	5.044154920623069	0.35577956582201953	Different Family
[P12931, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P12931	P54760	5.346787486224656	4.356547323513813	0.990240162710843	Different Family
[P12931, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P12931	P54760	5.040958607678906	4.431798275933005	0.6091603317459011	Different Family
[P12931, P54760]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P12931	P54760	6.508638306165727	7.0	0.4913616938342731	Different Family
[P12931, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5c(cccc5Cl)Cl	P12931	P54760	7.958607314841775	7.3979400086720375	0.5606673061697371	Different Family
[P12931, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5	P12931	P54760	6.467245621007502	6.407823242604133	0.05942237840336961	Different Family
[P12931, P54760]	Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)c5ccccc5Cl	P12931	P54760	7.455931955649724	7.236572006437063	0.21935994921266122	Different Family
[P12931, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P12931	P54760	8.174360993000928	7.1938200260161125	0.9805409669848153	Different Family
[P12931, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)S(=O)(=O)NCCN5CCCC5)C)C	P12931	P54760	8.045757490560675	7.132532512140949	0.9132249784197262	Different Family
[P12931, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccnc(c4)OCCN5CCCC5)C)C	P12931	P54760	8.193820026016112	6.892790030352131	1.3010299956639813	Different Family
[P12931, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	P54760	6.096910013008056	5.73754891026957	0.359361102738486	Different Family
[P12931, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	P54760	5.721246399047171	5.468521082957745	0.2527253160894265	Different Family
[P12931, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	P54760	6.154901959985743	5.468521082957745	0.6863808770279984	Different Family
[P12931, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	P54760	5.698970004336019	5.113509274827518	0.585460729508501	Different Family
[P12931, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P12931	P54760	5.42021640338319	5.638272163982407	0.21805576059921705	Different Family
[P12931, Q06187]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P12931	Q06187	7.431798275933005	7.031517051446065	0.4002812244869398	Different Family
[P12931, Q06187]	CCc1ccc2c(c1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)Cc5ccccc5	P12931	Q06187	7.400007822415902	6.499996931948306	0.9000108904675956	Different Family
[P12931, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P12931	Q06187	5.2403321553103694	4.6020599913279625	0.6382721639824069	Different Family
[P12931, Q06187]	Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)c4cc(c(=O)[nH]n4)Nc5cc6n(n5)CCN(C6)C	P12931	Q06187	6.0343280287798935	8.522878745280337	2.488550716500444	Different Family
[P12931, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P12931	Q06187	5.771086594005312	5.473660722610156	0.29742587139515564	Different Family
[P12931, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P12931	Q06187	7.769551078621726	5.47755576649368	2.291995312128046	Different Family
[P12931, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P12931	Q06187	8.698970004336019	6.2636034977233574	2.4353665066126613	Different Family
[P12931, Q06187]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P12931	Q06187	9.41195437047216	8.301029995663981	1.110924374808178	Different Family
[P12931, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P12931	Q06187	9.0	7.0	2.0	Different Family
[P12931, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P12931	Q06187	5.3979400086720375	5.119186407719209	0.27875360095282886	Different Family
[O60285, P12931]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P12931	O60285	5.064492734175287	4.531652669587842	0.5328400645874449	Different Group
[O60285, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P12931	O60285	4.3872161432802645	5.7447274948966935	1.357511351616429	Different Group
[O60285, P12931]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P12931	O60285	4.68837535480105	4.366531544420414	0.3218438103806358	Different Group
[O60285, P12931]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P12931	O60285	6.431798275933005	5.600326278518962	0.8314719974140434	Different Group
[O60285, P12931]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P12931	O60285	6.309803919971486	5.423658649794207	0.8861452701772787	Different Group
[O60285, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P12931	O60285	5.448550002027125	5.0	0.44855000202712514	Different Group
[O60285, P12931]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P12931	O60285	4.8996294548824375	4.525783735923745	0.3738457189586928	Different Group
[O60285, P12931]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P12931	O60285	4.4089353929735005	5.443697499232713	1.0347621062592127	Different Group
[O60285, P12931]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P12931	O60285	6.096910013008056	6.292429823902063	0.19551981089400705	Different Group
[O60285, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P12931	O60285	5.721246399047171	5.7447274948966935	0.023481095849522404	Different Group
[O60285, P12931]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P12931	O60285	6.154901959985743	5.769551078621726	0.3853508813640172	Different Group
[O60285, P12931]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P12931	O60285	6.920818753952375	5.293282217663241	1.627536536289134	Different Group
[O60285, P12931]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P12931	O60285	5.698970004336019	5.494850021680094	0.20411998265592501	Different Group
[P35968, Q04912]	CC(c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)C4=CCN(CC4)C(=O)N	Q04912	P35968	7.150514997831991	5.550363406341198	1.6001515914907927	Different Family
[P35968, Q04912]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	Q04912	P35968	7.029653123769907	6.982966660701219	0.04668646306868762	Different Family
[P35968, Q04912]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	Q04912	P35968	7.728158393463501	6.161150909262744	1.567007484200757	Different Family
[P35968, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	Q04912	P35968	7.543633966870957	6.251811972993799	1.291821993877158	Different Family
[P35968, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	Q04912	P35968	7.838631997765025	6.677367288307777	1.1612647094572477	Different Family
[P35968, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	Q04912	P35968	6.461300620457593	7.014663358264388	0.5533627378067942	Different Family
[P35968, Q04912]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	Q04912	P35968	6.568636235841013	7.033389013318065	0.46475277747705235	Different Family
[P35968, Q04912]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	Q04912	P35968	8.154901959985743	7.356547323513813	0.7983546364719301	Different Family
[P35968, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	Q04912	P35968	5.318758762624412	5.301029995663981	0.01772876696043113	Different Family
[P35968, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	Q04912	P35968	5.301029995663981	6.0	0.6989700043360187	Different Family
[P35968, Q04912]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q04912	P35968	5.214670164989233	5.3872161432802645	0.1725459782910317	Different Family
[P08581, Q04912]	CC(c1c(ccc(c1Cl)F)Cl)NC(=O)c2cc(cnc2N)c3cnn(c3)C4CCOCC4	Q04912	P08581	5.083019952679618	7.330971062290121	2.2479511096105034	Same Family
[P08581, Q04912]	CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(c(=O)[nH]c2)C(=O)Nc3ccc(cc3)N4CCN(CC4)C	Q04912	P08581	6.350665141287858	7.920818753952375	1.5701536126645168	Same Family
[P08581, Q04912]	CC(c1ccc2ccc3c(cc(cn3)c4cnn(c4)C)c(=O)c2c1)C(=O)N	Q04912	P08581	6.0400051616715835	7.154901959985743	1.1148967983141596	Same Family
[P08581, Q04912]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	Q04912	P08581	7.728158393463501	8.853871964321762	1.1257135708582604	Same Family
[P08581, Q04912]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3F)NC(=O)c4cnn(c4C(F)(F)F)c5ccccc5	Q04912	P08581	7.795880017344075	5.97469413473523	1.8211858826088454	Same Family
[P08581, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	Q04912	P08581	7.543633966870957	8.730487055782083	1.1868530889111257	Same Family
[P08581, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	Q04912	P08581	7.838631997765025	8.812479279163536	0.9738472813985117	Same Family
[P08581, Q04912]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	Q04912	P08581	6.461300620457593	8.643974142806877	2.182673522349284	Same Family
[P08581, Q04912]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	Q04912	P08581	6.568636235841013	8.847711655616944	2.279075419775931	Same Family
[P08581, Q04912]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)C(C(=O)N)O)nc2	Q04912	P08581	6.394694953858891	7.494850021680094	1.1001550678212029	Same Family
[P08581, Q04912]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)CC(=O)N)nc2	Q04912	P08581	6.064996848546345	7.221848749616356	1.1568519010700111	Same Family
[P08581, Q04912]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)CC(=O)NCc5ccccc5)nc2	Q04912	P08581	5.639595945270061	7.026872146400302	1.3872762011302404	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)N(C)C(=O)c5cnn(c5C(F)(F)F)c6ccccc6	Q04912	P08581	6.238452080873716	5.2380721615794705	1.0003799192942457	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)N5CC(=O)Nc6c(cnn6c7ccccc7)C5=O	Q04912	P08581	6.442492798094342	6.684029654543083	0.24153685644874034	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)N5CC=Cc6c(cnn6c7ccccc7)C5=O	Q04912	P08581	7.309803919971486	6.517126416391246	0.79267750358024	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)N5CCCc6c(cnn6c7ccccc7)C5=O	Q04912	P08581	7.468521082957745	6.966576244513051	0.5019448384446941	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)N5CCc6c(cnn6c7ccccc7)C5=O	Q04912	P08581	7.522878745280337	7.236572006437063	0.2863067388432743	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(n(cn5)c6ccccc6)C(F)(F)F	Q04912	P08581	7.886056647693163	5.619788758288394	2.2662678894047694	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccccc6)C(F)(F)F	Q04912	P08581	7.769551078621726	6.173925197299173	1.5956258813225528	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(nc(s5)c6ccccc6)c7ccccc7	Q04912	P08581	7.346787486224656	5.645891560852599	1.7008959253720572	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cc(n(c5)c6ccccc6)c7ccccc7	Q04912	P08581	6.995678626217358	5.315154638355588	1.6805239878617702	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cn(nc5C(F)(F)F)c6ccccc6	Q04912	P08581	7.022276394711152	5.423658649794207	1.598617744916945	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cn(nc5c6ccccc6)c7ccccc7	Q04912	P08581	7.494850021680094	5.684029654543083	1.810820367137011	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cnn(c5C(F)(F)F)c6ccc(cc6)F	Q04912	P08581	7.356547323513813	5.359518563029578	1.997028760484235	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cnn(c5c6ccccc6)c7ccccc7	Q04912	P08581	7.638272163982407	6.130768280269024	1.5075038837133832	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cnn(c5c6ccccc6F)c7ccccc7	Q04912	P08581	7.6020599913279625	5.962573502059376	1.6394864892685863	Same Family
[P08581, Q04912]	Cn1cc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=O)c5cnn(c5c6ccccn6)c7ccccc7	Q04912	P08581	7.638272163982407	5.910094888560602	1.728177275421805	Same Family
[P08581, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	Q04912	P08581	5.318758762624412	5.2441251443275085	0.07463361829690385	Same Family
[P08581, Q04912]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	Q04912	P08581	5.301029995663981	5.366531544420414	0.06550154875643255	Same Family
[P08581, Q04912]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q04912	P08581	5.214670164989233	5.292429823902063	0.07775965891283043	Same Family
[P35968, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	P35968	4.552841968657781	5.356547323513812	0.8037053548560316	Different Family
[P35968, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	P35968	4.568636235841013	5.2839966563652006	0.7153604205241875	Different Family
[P35968, Q05397]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q05397	P35968	5.518557371497695	5.653647025549361	0.13508965405166595	Different Family
[P35968, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	P35968	5.341035157335565	5.317854923626168	0.023180233709396703	Different Family
[P35968, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	P35968	4.552841968657781	5.275724130399211	0.7228821617414303	Different Family
[P35968, Q05397]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05397	P35968	5.080921907623926	5.4089353929735005	0.3280134853495742	Different Family
[P35968, Q05397]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	P35968	4.455931955649724	5.638272163982407	1.1823402083326826	Different Family
[P35968, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q05397	P35968	5.022276394711152	7.508638306165727	2.4863619114545745	Different Family
[P35968, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	Q05397	P35968	4.3979400086720375	5.795880017344075	1.3979400086720375	Different Family
[P35968, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q05397	P35968	4.366531544420414	5.823908740944319	1.4573771965239048	Different Family
[P35968, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)C(=S)N	Q05397	P35968	4.866461091629782	5.3872161432802645	0.5207550516504824	Different Family
[P35968, Q05397]	COc1ccc(cc1)C2=NN(C(C2)c3cccc4c3cccc4)c5ccccc5	Q05397	P35968	4.987162775294828	5.468521082957745	0.48135830766291665	Different Family
[P35968, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	P35968	6.376750709602099	6.494850021680094	0.11809931207799451	Different Family
[P35968, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	P35968	6.096910013008056	6.4089353929735005	0.3120253799654442	Different Family
[P35968, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	P35968	5.123782159408358	5.2247537402597635	0.10097158085140556	Different Family
[P35968, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q05397	P35968	4.787812395596042	4.578396073130169	0.20941632246587272	Different Family
[P35968, Q05397]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	Q05397	P35968	6.823908740944319	5.853871964321762	0.9700367766225568	Different Family
[P35968, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)C(=S)N	Q05397	P35968	4.542118103266008	5.6777807052660805	1.1356626020000729	Different Family
[P35968, Q05397]	Cc1ccc(cc1)C2=NN(C(C2)c3ccc4ccccc4c3)c5ccccc5	Q05397	P35968	4.939302159646388	5.806875401645538	0.8675732419991498	Different Family
[P35968, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	Q05397	P35968	5.0034883278458215	5.337242168318426	0.33375384047260415	Different Family
[P35968, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q05397	P35968	4.97061622231479	5.314258261397736	0.34364203908294577	Different Family
[P35968, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	Q05397	P35968	5.016373712875465	5.221125527997261	0.20475181512179574	Different Family
[P35968, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q05397	P35968	4.772113295386326	5.305394801066432	0.5332815056801055	Different Family
[P35968, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q05397	P35968	4.87942606879415	5.361510743045363	0.4820846742512126	Different Family
[P35968, Q05397]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	Q05397	P35968	5.1090204030103115	5.436518914605589	0.32749851159527754	Different Family
[P35968, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q05397	P35968	4.301029995663981	4.823908740944319	0.5228787452803374	Different Family
[P35968, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	P35968	5.507239610973163	6.102372908709558	0.5951332977363952	Different Family
[P35968, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	P35968	5.6777807052660805	5.920818753952375	0.24303804868629442	Different Family
[P35968, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	P35968	5.455931955649724	6.221848749616356	0.7659167939666318	Different Family
[P35968, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	P35968	5.920818753952375	6.552841968657781	0.6320232147054057	Different Family
[P35968, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	P35968	5.136677139879544	5.886056647693163	0.749379507813619	Different Family
[P35968, Q05397]	c1ccc(cc1)N2C(CC(=N2)c3ccc(c(c3)Cl)Cl)c4ccc5ccccc5c4	Q05397	P35968	5.2076083105017466	5.73754891026957	0.5299405997678237	Different Family
[P35968, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	Q05397	P35968	5.356547323513812	5.3872161432802645	0.030668819766452415	Different Family
[P35968, Q05397]	c1ccc2cc(ccc2c1)C3CC(=NN3C(=S)N)c4ccc(c(c4)Cl)Cl	Q05397	P35968	5.00436480540245	5.494850021680094	0.4904852162776434	Different Family
[O60674, Q05397]	CC(=O)Nc1ccc(cc1)Sc2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)C(=O)OC(C)(C)C	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.46470587995723	3.464662448337422	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(C(C1)O)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.523975999975621	8.869666231504993	3.345690231529373	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(C1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	Q05397	O60674	5.000043431619807	7.0087296108049	2.0086861791850925	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.000043431619807	5.187153463032929	0.18711003141312155	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	Q05397	O60674	5.000043431619807	7.210489795909746	2.210446364289939	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	Q05397	O60674	5.000043431619807	6.443022454937079	1.442979023317272	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	Q05397	O60674	5.000043431619807	6.785818691336179	1.785775259716372	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	Q05397	O60674	5.000043431619807	5.850356041040456	0.8503126094206488	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)C	Q05397	O60674	5.000043431619807	6.714262709853346	1.7142192782335384	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	Q05397	O60674	5.000043431619807	6.276060224070285	1.276016792450478	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	Q05397	O60674	5.000043431619807	6.4862099349802405	1.4861665033604332	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	Q05397	O60674	5.000043431619807	6.170824926082912	1.170781494463105	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	Q05397	O60674	5.000043431619807	5.826368006999586	0.826324575379779	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	Q05397	O60674	5.000043431619807	5.955127199187436	0.9550837675676291	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.721246399047171	3.721202967427364	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(cn2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	9.301029995663981	3.7780064614235087	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.444421927227045	8.886056647693163	2.4416347204661184	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.429457060118102	3.4294136284982946	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.000043431619807	5.939853875108249	0.939810443488442	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5F)C(F)(F)F	Q05397	O60674	5.000043431619807	6.232087561897578	1.232044130277771	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	Q05397	O60674	5.000043431619807	5.674767664568116	0.674724232948309	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5cnn6C	Q05397	O60674	5.754432178912354	7.781858710760339	2.0274265318479854	Different Family
[O60674, Q05397]	CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	Q05397	O60674	5.000043431619807	6.186892924414693	1.1868494927948854	Different Family
[O60674, Q05397]	CC(C)(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	Q05397	O60674	5.688369029890372	8.58335949266172	2.8949904627713474	Different Family
[O60674, Q05397]	CC(C)COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	Q05397	O60674	5.5230235342404725	5.5230235342404725	0.0	Different Family
[O60674, Q05397]	CC(C)COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	Q05397	O60674	5.5230235342404725	5.967296644567595	0.44427311032712247	Different Family
[O60674, Q05397]	CC(C)COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	5.5230235342404725	7.486249849918177	1.9632263156777041	Different Family
[O60674, Q05397]	CC(C)COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	5.699187205881883	5.746637760166932	0.04745055428504852	Different Family
[O60674, Q05397]	CC(C)Oc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	Q05397	O60674	5.259716280318121	5.918659894485802	0.658943614167681	Different Family
[O60674, Q05397]	CC(C)Oc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	6.000434511774017	7.249954687988232	1.2495201762142152	Different Family
[O60674, Q05397]	CC(C)S(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	Q05397	O60674	6.513711239039433	8.67778070526608	2.164069466226647	Different Family
[O60674, Q05397]	CC(CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)O	Q05397	O60674	5.865522060633887	9.035930146562439	3.1704080859285524	Different Family
[O60674, Q05397]	CC(c1ccccc1N(C)S(=O)(=O)C)Nc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)C	Q05397	O60674	6.000434511774017	6.378657512910306	0.3782230011362886	Different Family
[O60674, Q05397]	CCCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)Cl	Q05397	O60674	6.0240354161970675	6.437219571692313	0.41318415549524534	Different Family
[O60674, Q05397]	CCCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)Cl	Q05397	O60674	5.979742330494118	6.082064085322656	0.10232175482853823	Different Family
[O60674, Q05397]	CCN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)P(=O)(C)C	Q05397	O60674	5.000043431619807	7.879755204453635	2.8797117728338275	Different Family
[O60674, Q05397]	CCN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.72584215073632	3.7257987191165123	Different Family
[O60674, Q05397]	CCN1CCP(=O)(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.729864080086943	8.790484985457368	3.060620905370425	Different Family
[O60674, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C)C(F)(F)F	Q05397	O60674	5.748809686550092	6.6516367156148135	0.9028270290647216	Different Family
[O60674, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	Q05397	O60674	5.5230235342404725	6.796124376722666	1.2731008424821937	Different Family
[O60674, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	Q05397	O60674	5.8822217708872415	6.864708295524248	0.9824865246370065	Different Family
[O60674, Q05397]	CCOc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)Cl	Q05397	O60674	5.910462252233139	7.475733731233022	1.5652714789998825	Different Family
[O60674, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)C(=O)OC(C)(C)C	Q05397	O60674	5.000043431619807	5.957412675540518	0.9573692439207111	Different Family
[O60674, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CC(=O)N(C)C	Q05397	O60674	5.000043431619807	6.672702382104146	1.6726589504843385	Different Family
[O60674, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	Q05397	O60674	5.000043431619807	7.154653862588591	2.154610430968784	Different Family
[O60674, Q05397]	CCOc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	5.26153348293014	7.332972056040895	2.071438573110755	Different Family
[O60674, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)Oc4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.936674148364337	0.9366307167445296	Different Family
[O60674, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)C(F)(F)F	Q05397	O60674	5.000043431619807	8.546681659952963	3.5466382283331557	Different Family
[O60674, Q05397]	CCn1cc(cn1)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.72584215073632	3.7257987191165123	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	6.000434511774017	7.22373478173189	1.223300269957873	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	Q05397	O60674	5.5230235342404725	6.280420142286276	0.7573966080458039	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(cnc5OC)C(F)(F)F	Q05397	O60674	5.000043431619807	7.1273193928480705	2.1272759612282632	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C#N	Q05397	O60674	5.5230235342404725	8.411168274405792	2.8881447401653197	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	Q05397	O60674	5.830466631711783	7.984640244590786	2.1541736128790028	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5F)OC	Q05397	O60674	5.5230235342404725	8.355561410532161	2.8325378762916884	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)C(F)F	Q05397	O60674	5.5230235342404725	7.47249898901888	1.9494754547784074	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	Q05397	O60674	5.5230235342404725	7.430509045651217	1.9074855114107443	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc[nH]c5=O	Q05397	O60674	5.699187205881883	6.568250367773066	0.8690631618911828	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)OC	Q05397	O60674	6.000434511774017	7.971022294791222	1.970587783017205	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5F)OC	Q05397	O60674	5.5230235342404725	7.727462222624762	2.2044386883842897	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5OC)OC	Q05397	O60674	5.794070612392184	7.340559218129682	1.5464886057374985	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccnc5OC	Q05397	O60674	6.000434511774017	6.5997902298379385	0.5993557180639213	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnc(cn5)OC	Q05397	O60674	5.5230235342404725	6.871633046061918	1.3486095118214454	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	Q05397	O60674	5.86192477377846	8.97469413473523	3.1127693609567704	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	6.1815563537221525	7.122168108507107	0.9406117547849542	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	Q05397	O60674	5.699187205881883	7.817300096663957	2.118112890782074	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.86473055945173	7.382999658879101	1.5182690994273713	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2cc(ccc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	Q05397	O60674	5.187153463032929	7.67264106561367	2.485487602580741	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.699187205881883	7.263762901095271	1.5645756952133878	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OC)F	Q05397	O60674	6.160653957983927	7.947306058075032	1.7866521000911053	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)(F)F	Q05397	O60674	6.000434511774017	6.499612564078817	0.49917805230480017	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)C(F)F	Q05397	O60674	5.950406010071216	6.5688453909477555	0.6184393808765396	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)Cl	Q05397	O60674	6.3622301708441755	6.936216439402645	0.5739862685584693	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)F	Q05397	O60674	5.903194230177283	6.284172079945808	0.38097784976852545	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.296975300354178	1.2969318687343705	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)Cl	Q05397	O60674	5.699187205881883	8.071604147743287	2.3724169418614034	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccc(cc5OC)F	Q05397	O60674	5.5230235342404725	7.3281794398167515	1.805155905576279	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	Q05397	O60674	5.770121144773173	7.516983579855868	1.7468624350826953	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OC	Q05397	O60674	5.000043431619807	7.406603157699793	2.406559726079986	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5ccccc5OCC(F)F	Q05397	O60674	5.614016786589819	6.706283965173891	1.0922671785840716	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	6.146216640790575	7.268733650924508	1.122517010133933	Different Family
[O60674, Q05397]	CN(C)C(=O)CN1CCc2ccc(cc2CC1)Nc3nc4cccc(n4n3)c5ccccc5COC	Q05397	O60674	5.5230235342404725	7.324130044681043	1.8011065104405706	Different Family
[O60674, Q05397]	CN(C)C(=O)N1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5OCC(F)F)Cl	Q05397	O60674	5.699187205881883	6.702852528198731	1.0036653223168477	Different Family
[O60674, Q05397]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCN(CC5)CC(=O)N(C)C	Q05397	O60674	6.064115032036476	8.30189945437661	2.237784422340134	Different Family
[O60674, Q05397]	CN(C)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.757346782590983	8.405607449624574	2.6482606670335906	Different Family
[O60674, Q05397]	CN(Cc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	8.13430394008393	2.6112804058434573	Different Family
[O60674, Q05397]	CN(Cc1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	6.558509101462717	7.0111290339353545	0.4526199324726372	Different Family
[O60674, Q05397]	CN(Cc1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	5.699187205881883	6.844512137858718	1.1453249319768348	Different Family
[O60674, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)N5CCN(CC5)CCO)S(=O)(=O)C	Q05397	O60674	6.4210515083378885	7.443094730944552	1.0220432226066638	Different Family
[O60674, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	7.223807485252928	7.385313657717988	0.16150617246505927	Different Family
[O60674, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)S(=O)(=O)C)S(=O)(=O)C	Q05397	O60674	6.123978560358524	7.761452112318672	1.6374735519601478	Different Family
[O60674, Q05397]	CN(c1c(cccn1)CNc2cccn3c2nc(n3)Nc4cccc(c4)S(=O)(=O)C)S(=O)(=O)C	Q05397	O60674	6.667339399729365	7.108797172739704	0.44145777301033906	Different Family
[O60674, Q05397]	CN(c1c(cccn1)Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	7.4805658050862975	1.957542270845825	Different Family
[O60674, Q05397]	CN(c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	9.568636235841012	4.568592804221205	Different Family
[O60674, Q05397]	CN(c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	5.6370164154510825	7.469160221383479	1.8321438059323967	Different Family
[O60674, Q05397]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)S(=O)(=O)C	Q05397	O60674	7.8873949984654255	7.359121221298381	0.528273777167044	Different Family
[O60674, Q05397]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc5c(c4)CCC(CC5)N6CCOCC6)S(=O)(=O)C	Q05397	O60674	7.740406121114051	6.87137459512405	0.8690315259900014	Different Family
[O60674, Q05397]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc5cnccc5c4)S(=O)(=O)C	Q05397	O60674	6.776555980190385	6.934906010642847	0.15835003045246232	Different Family
[O60674, Q05397]	CN(c1ccccc1CNc2cccn3c2nc(n3)Nc4ccccc4)S(=O)(=O)C	Q05397	O60674	6.722459544882569	6.243112970946654	0.4793465739359153	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	6.269225796796773	6.936741720049544	0.667515923252771	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.8671002300555175	7.414539270491499	0.45256095956401854	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	Q05397	O60674	6.907314437062509	7.646083769079637	0.738769332017128	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	7.111651989821951	7.3949105381184195	0.2832585482964687	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.954168685652245	1.954125254032438	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	Q05397	O60674	5.699187205881883	7.399135963690161	1.6999487578082775	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	Q05397	O60674	5.688508913624387	8.18045606445813	2.4919471508337434	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	5.684968492897591	7.758951849328356	2.073983356430765	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.24504041227829	8.958607314841775	2.7135669025634845	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	Q05397	O60674	6.000434511774017	8.14206473528057	2.141630223506553	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	Q05397	O60674	6.119632359886307	8.051587034221399	1.931954674335092	Different Family
[O60674, Q05397]	CN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	5.9215939371891135	0.398570402948641	Different Family
[O60674, Q05397]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)P(=O)(C)C	Q05397	O60674	5.000043431619807	7.980053318321158	2.9800098867013505	Different Family
[O60674, Q05397]	CN1CCN(C(=O)C1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	8.787812395596042	3.7877689639762346	Different Family
[O60674, Q05397]	CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3)Nc4nc5c(cccn5n4)c6ccc(cc6)S(=O)(=O)C	Q05397	O60674	6.773915884024176	8.744727494896694	1.9708116108725173	Different Family
[O60674, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.948423041527461	8.619788758288394	2.671365716760933	Different Family
[O60674, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.579219380451435	8.769551078621726	2.190331698170291	Different Family
[O60674, Q05397]	CN1CCN(CC1)Cc2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.986614982250314	7.931814138253839	1.9451991560035244	Different Family
[O60674, Q05397]	CN1CCN(CC1)Cc2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.543181685830995	8.844663962534938	3.3014822767039425	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cc(cnc2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.471829178912833	6.032873418923587	0.5610442400107543	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q05397	O60674	6.853871964321762	7.3979400086720375	0.5440680443502757	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	7.401100112936117	5.5230235342404725	1.8780765786956444	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.814769583832438	0.8147261522126303	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.053926188014803	6.63921731012672	1.5852911221119168	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc(cn4n3)F)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	7.5003129173815966	1.977289383141124	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	6.282537542262508	8.58335949266172	2.300821950399211	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)C=Cc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	6.000434511774017	7.493630282904496	1.4931957711304786	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)CCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.379551615288292	6.6615036646925185	0.7180479505957731	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)N(C)Cc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.203911571319331	7.291919189531768	0.08800761821243697	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCC5CCCN5S(=O)(=O)C	Q05397	O60674	6.059359021879851	7.9344202852715515	1.8750612633917	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccc(cc5)OC	Q05397	O60674	5.000043431619807	5.5197112884729185	0.5196678568531112	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)N(C)S(=O)(=O)C	Q05397	O60674	5.187153463032929	6.839231438138872	1.652077975105943	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)OC	Q05397	O60674	5.000043431619807	5.87311564581807	0.8730722141982632	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.581003068844252	1.5809596372244448	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	6.747171231959408	7.450506286784987	0.7033350548255788	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.9434762759209	7.536107011014093	0.4073692649068068	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5OC	Q05397	O60674	6.257604837926246	7.911509529817604	1.6539046918913574	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	Q05397	O60674	6.700144185295732	7.878112014896319	1.1779678296005862	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5	Q05397	O60674	5.187153463032929	6.311731495465845	1.1245780324329164	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	7.5230235342404725	7.683400697906139	0.16037716366566634	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.486037012628005	1.4859935810081977	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	6.000434511774017	7.149966742310231	1.149532230536214	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5CS(=O)(=O)C	Q05397	O60674	5.8923898495566345	7.655607726314889	1.7632178767582545	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	Q05397	O60674	6.420445039599001	8.080921907623926	1.660476868024925	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	5.8641171288628975	7.942714355581785	2.0785972267188875	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)O	Q05397	O60674	5.000043431619807	6.246662114767915	1.2466186831481076	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	Q05397	O60674	5.956850008261399	7.361011840656318	1.4041618323949194	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	Q05397	O60674	5.591270033463902	7.82102305270683	2.2297530192429287	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)OCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.6613443344213	7.823619307756729	0.16227497333542917	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.965816893408313	7.504039605118295	1.5382227117099818	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)C(F)(F)F	Q05397	O60674	5.903820215285202	8.508638306165727	2.604818090880525	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)CS(=O)(=O)C	Q05397	O60674	5.764850463526756	9.154901959985743	3.3900514964589874	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	Q05397	O60674	6.000434511774017	9.221848749616356	3.221414237842339	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)N(C)C	Q05397	O60674	6.103859748557981	8.769551078621726	2.665691330063745	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	8.09963287134353	2.576609337103058	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)N(C)S(=O)(=O)C	Q05397	O60674	5.503802630662718	7.728623128105926	2.2248204974432078	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.587371479455625	8.481486060122112	2.8941145806664874	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5OC	Q05397	O60674	5.5230235342404725	7.4156687756324695	1.892645241391997	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.877358230374464	0.8773147987546563	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.5267904830864145	0.5267470514666073	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	Q05397	O60674	6.536107011014093	8.958607314841775	2.4225003038276816	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)NS(=O)(=O)C	Q05397	O60674	5.641284886197869	8.55284196865778	2.911557082459912	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.375511637486551	7.821977505656385	1.4464658681698337	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)NS(=O)(=O)C	Q05397	O60674	6.257510535418225	7.721246399047171	1.463735863628946	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5cccc(c5)S(=O)(=O)C	Q05397	O60674	6.2335871528876	7.586147397848292	1.3525602449606913	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2ccc(cn2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.1743791749965	6.032686081712916	0.1416930932835836	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)N(c3cccc(c3)N4CCN(CC4)C)c5nc6c(cc(cn6n5)F)c7ccc(cc7)S(=O)(=O)C	Q05397	O60674	5.9775716288145135	6.48932096896779	0.5117493401532762	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cc(cn4n3)C(F)(F)F)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	5.615517553432615	7.6217838502501225	2.0062662968175076	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccc(cc5)F	Q05397	O60674	5.000043431619807	5.843241928779146	0.8431984971593387	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccc(cc5)OC	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccc(c5)OC	Q05397	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.39936465723774	1.3993212256179328	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	6.52355967350181	6.658328112791482	0.13476843928967153	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5F	Q05397	O60674	5.82909905124213	6.743859773365467	0.9147607221233374	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.834755673874689	7.1779627519274145	0.6567929219472743	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5OC	Q05397	O60674	6.021732724166959	7.33771448427787	1.315981760110911	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5ccccc5S(=O)(=O)C	Q05397	O60674	6.697972273978225	7.579714115058082	0.8817418410798572	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5	Q05397	O60674	5.187153463032929	6.189243417992493	1.0020899549595645	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	7.148252580866736	7.112495225764622	0.0357573551021142	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	5.8819867281131595	0.35896319387268694	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5CN(C)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	6.343738848291659	0.8207153140511867	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5ccccc5S(=O)(=O)C	Q05397	O60674	6.215810794619039	7.5376020021010435	1.3217912074820042	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Nc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	5.699187205881883	7.219970872662661	1.520783666780778	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5cccc(c5)Cl	Q05397	O60674	5.7980132911049305	7.002089632653257	1.2040763415483262	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C#N	Q05397	O60674	5.5230235342404725	7.570409197776699	2.047385663536226	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)OCc5ccccc5C(=O)N	Q05397	O60674	5.778411036167515	6.845332622377424	1.0669215862099088	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)Oc5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.783367053353646	0.7833236217338388	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cc(ccc5OC)C(F)(F)F	Q05397	O60674	5.915359386907873	6.800519085137644	0.8851596982297707	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)F	Q05397	O60674	6.000434511774017	7.560790810129377	1.5603562983553596	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)N(C)S(=O)(=O)C	Q05397	O60674	5.869634062734793	9.221848749616356	3.352214686881563	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)N6CCC(CC6)N7CCN(CC7)C	Q05397	O60674	5.5230235342404725	7.346594509335499	1.8235709750950262	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)CN(C)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	8.226213555018806	2.703190020778333	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cccc(c5)S(=O)(=O)C	Q05397	O60674	5.9013216704235605	8.193820026016112	2.292498355592552	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5OC	Q05397	O60674	5.5230235342404725	7.5718652059712115	2.048841671730739	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccccc5S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.602703223270315	0.6026597916505079	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5cnn(c5)c6ccc(cc6)F	Q05397	O60674	5.5230235342404725	8.248720896016657	2.7256973617761844	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)CN6CCS(=O)(=O)CC6	Q05397	O60674	6.298950369270861	9.096910013008056	2.7979596437371956	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cccc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.896846497451318	8.55284196865778	2.655995471206462	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cccc(c2)Nc3nc4cncc(n4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.0682371115188225	6.512720183556931	0.4444830720381088	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cncc(n2)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	5.975186067370689	5.187153463032929	0.7880326043377606	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2cncc(n2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	5.000043431619807	7.524038410807576	2.523994979187769	Different Family
[O60674, Q05397]	CN1CCN(CC1)c2nc3c(cccn3n2)NCc4cccc(c4)[N+](=O)[O-]	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)C#Cc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	7.938170692705301	2.415147158464828	Different Family
[O60674, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5ccccc5N(C)S(=O)(=O)C	Q05397	O60674	7.750557038557417	8.036684488613888	0.2861274500564708	Different Family
[O60674, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	7.317584138322641	7.892111974817201	0.5745278364945596	Different Family
[O60674, Q05397]	CN1Cc2ccc(cc2C1)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.08823533632914	9.136677139879545	3.0484418035504053	Different Family
[O60674, Q05397]	CN1c2ccc(cc2CC1=O)Nc3nc4c(cccn4n3)NCc5cccnc5N(C)S(=O)(=O)C	Q05397	O60674	6.97571962395292	7.561932549546506	0.5862129255935855	Different Family
[O60674, Q05397]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	Q05397	O60674	5.699187205881883	7.559878396812196	1.8606911909303125	Different Family
[O60674, Q05397]	COCc1ccccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	COc1c(cc(cn1)C(F)(F)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.000043431619807	6.877096350826676	1.8770529192068688	Different Family
[O60674, Q05397]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.000043431619807	6.423601054875761	1.4235576232559541	Different Family
[O60674, Q05397]	COc1c(cccn1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	Q05397	O60674	5.000043431619807	6.716857136696758	1.7168137050769507	Different Family
[O60674, Q05397]	COc1cc(cc(c1OC)OC)Nc2ncc3ccc(n3n2)c4ccccc4	Q05397	O60674	7.769551078621726	9.698970004336019	1.9294189257142929	Different Family
[O60674, Q05397]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	Q05397	O60674	5.710535913922573	8.154281982033341	2.4437460681107677	Different Family
[O60674, Q05397]	COc1cc(ccc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	Q05397	O60674	5.99425767142793	8.130768280269024	2.1365106088410935	Different Family
[O60674, Q05397]	COc1cc(ccc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)F	Q05397	O60674	5.699187205881883	7.181378273624111	1.482191067742228	Different Family
[O60674, Q05397]	COc1ccc(c(c1)F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.5230235342404725	8.043831569524636	2.5208080352841638	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)NC4CCN(CC4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.42608455957845	1.4260411279586425	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	6.32771737521108	1.3276739435912726	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)Nc4ccccc4S(=O)(=O)C	Q05397	O60674	5.5230235342404725	7.892790030352131	2.3697664961116587	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4c[nH]nc4	Q05397	O60674	5.627493036637101	7.486782399932061	1.8592893632949599	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3c(cccn3n2)c4cnn(c4)S(=O)(=O)C	Q05397	O60674	6.294649537114288	8.522878745280337	2.2282292081660495	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)CN5CCS(=O)(=O)CC5	Q05397	O60674	5.699187205881883	9.0	3.3008127941181167	Different Family
[O60674, Q05397]	COc1ccc(cc1)Nc2nc3cccc(n3n2)c4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.585060060581982	8.721246399047171	3.1361863384651896	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCSC)C(F)(F)F	Q05397	O60674	6.868285121534932	7.573651426212492	0.7053663046775602	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccc3n2nc(n3)Nc4ccc5c(c4)CCNCC5)C(F)(F)F	Q05397	O60674	6.261980916547481	7.6311554931741785	1.3691745766266976	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5)C(F)(F)F	Q05397	O60674	5.5230235342404725	7.097616315567529	1.5745927813270564	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5)C(F)(F)F	Q05397	O60674	5.469510868609329	7.132296866729902	1.6627859981205733	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5)C(F)(F)F	Q05397	O60674	5.187153463032929	7.073143291050307	1.8859898280173786	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C)C(F)(F)F	Q05397	O60674	6.2424825072201955	7.894830572000668	1.6523480647804725	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNC5)C(F)(F)F	Q05397	O60674	6.1087581192365175	7.37809703910877	1.2693389198722524	Different Family
[O60674, Q05397]	COc1ccc(cc1c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5)C(F)(F)F	Q05397	O60674	6.31766535618736	7.5388017113775065	1.2211363551901462	Different Family
[O60674, Q05397]	COc1ccc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	5.830501905315032	7.872895201635193	2.042393296320161	Different Family
[O60674, Q05397]	COc1cccc(c1)CNc2cccn3c2nc(n3)Nc4ccc(nc4)OC	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	COc1cccc(c1)CNc2cccn3c2nc(n3)Nc4cccnc4	Q05397	O60674	5.000043431619807	6.088112963135103	1.0880695315152957	Different Family
[O60674, Q05397]	COc1cccc(c1)CNc2cccn3c2nc(n3)Nc4ccncc4	Q05397	O60674	5.000043431619807	6.000469291503507	1.0004258598837001	Different Family
[O60674, Q05397]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	6.000434511774017	8.119186407719209	2.1187518959451914	Different Family
[O60674, Q05397]	COc1cccc(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CNC5	Q05397	O60674	6.000434511774017	8.178486471595226	2.178051959821209	Different Family
[O60674, Q05397]	COc1cccc(c1F)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.5230235342404725	7.516412703031106	1.9933891687906335	Different Family
[O60674, Q05397]	COc1cccc(c1OC)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.719735855641944	7.2362725962343015	1.5165367405923575	Different Family
[O60674, Q05397]	COc1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(nc4)OC	Q05397	O60674	5.5230235342404725	7.36997914888659	1.8469556146461175	Different Family
[O60674, Q05397]	COc1ccccc1CNc2cccn3c2nc(n3)Nc4cccnc4	Q05397	O60674	5.506431820869361	7.491201034596095	1.984769213726734	Different Family
[O60674, Q05397]	COc1ccccc1CNc2cccn3c2nc(n3)Nc4ccncc4	Q05397	O60674	5.187153463032929	7.2609025538825245	2.0737490908495957	Different Family
[O60674, Q05397]	COc1ccccc1c2ccc3n2nc(nc3)Nc4ccc(cc4OC)C5CCN(CC5)CC(=O)N	Q05397	O60674	7.6777807052660805	6.6020599913279625	1.075720713938118	Different Family
[O60674, Q05397]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	5.187153463032929	7.698970004336019	2.51181654130309	Different Family
[O60674, Q05397]	COc1ccccc1c2cccn3c2nc(n3)Nc4ccc5c(c4)CCN(CC5)CCS(=O)(=O)C	Q05397	O60674	5.000043431619807	7.750557038557417	2.75051360693761	Different Family
[O60674, Q05397]	COc1cnc(cn1)c2cccn3c2nc(n3)Nc4ccc(cc4)C5CCNCC5	Q05397	O60674	5.607774520870352	7.132237975349799	1.5244634544794469	Different Family
[O60674, Q05397]	CP(=O)(C)c1ccc(cc1)c2cccn3c2nc(n3)N(CCS(=O)(=O)C)c4cccc(c4)C5CCN(CC5)CCS(=O)(=O)C	Q05397	O60674	5.000043431619807	7.018679826740892	2.018636395121085	Different Family
[O60674, Q05397]	CP(=O)(C)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5)CCS(=O)(=O)C	Q05397	O60674	5.000043431619807	6.7804416684527755	1.7803982368329683	Different Family
[O60674, Q05397]	CS(=O)(=O)CCN1CCC(CC1)c2cccc(c2)Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C	Q05397	O60674	6.236324978121166	9.337242168318426	3.1009171901972596	Different Family
[O60674, Q05397]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cc(ccc5Cl)C(F)(F)F	Q05397	O60674	6.000434511774017	7.773657912836369	1.773223401062352	Different Family
[O60674, Q05397]	CS(=O)(=O)CCN1CCc2ccc(cc2CC1)Nc3nc4c(cccn4n3)c5cccc6c5OC(O6)(F)F	Q05397	O60674	5.699187205881883	7.605023280445436	1.9058360745635525	Different Family
[O60674, Q05397]	CS(=O)(=O)N1Cc2cccc(c2C1)c3ccc4n3nc(nc4)Nc5ccc(cc5)C6CCN(CC6)CC(=O)N	Q05397	O60674	6.688246138944246	7.795880017344075	1.1076338783998292	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(c(c1)OCC(F)F)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	6.000434511774017	7.208519883979999	1.208085372205982	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC(F)F	Q05397	O60674	5.000043431619807	6.221675066557891	1.2216316349380838	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)C(=C)n2c(nc(n2)NC(=O)Nc3ccc(cc3)N4CCNCC4)C=C	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)Oc2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	Q05397	O60674	5.912470574468285	5.5230235342404725	0.38944704022781274	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2ccc3nc(nn3c2)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	Q05397	O60674	6.761953896871205	8.958607314841775	2.1966534179705697	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	Q05397	O60674	5.977567504480043	9.18045606445813	3.2028885599780876	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	6.36251027048749	9.154901959985743	2.7923916894982534	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	6.6441655041150645	8.67778070526608	2.033615201151016	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)S(=O)(=O)C	Q05397	O60674	6.274496731140684	8.853871964321762	2.5793752331810778	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCOCC5	Q05397	O60674	5.833179285639734	9.022276394711152	3.189097109071418	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)CN5CCS(=O)(=O)CC5	Q05397	O60674	6.000434511774017	9.259637310505756	3.2592027987317387	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccc3n2nc(n3)Nc4cccc(c4)S(=O)(=O)C	Q05397	O60674	5.5230235342404725	8.031517051446064	2.5084935172055918	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)NCCc4ccccn4	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)NCCc4cccnc4	Q05397	O60674	5.000043431619807	5.703991133957023	0.7039477023372154	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)NCc4ccccn4	Q05397	O60674	5.000043431619807	5.187153463032929	0.18711003141312155	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)NCc4cccnc4	Q05397	O60674	5.000043431619807	5.559434083177508	0.5593906515577007	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCOCC5	Q05397	O60674	5.931517286238246	8.657577319177793	2.7260600329395475	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)CN5CCS(=O)(=O)CC5	Q05397	O60674	5.83032850434411	9.1249387366083	3.2946102322641897	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	6.686554629573586	9.0	2.3134453704264137	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCOCC5	Q05397	O60674	6.232918378636677	8.886056647693163	2.6531382690564858	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	Q05397	O60674	5.000043431619807	6.974284616098659	1.9742411844788519	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCC(CC5)N6CCOCC6	Q05397	O60674	6.173322788623212	8.809668301829708	2.6363455132064963	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5)CC(=O)N	Q05397	O60674	6.415374821581482	9.387216143280265	2.9718413216987827	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCN(CC5O)CC(=O)N	Q05397	O60674	6.000434511774017	9.259637310505756	3.2592027987317387	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)C5CCNCC5O	Q05397	O60674	5.712115448607495	8.844663962534938	3.1325485139274427	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)CN5CCOCC5	Q05397	O60674	6.020770406977845	9.221848749616356	3.201078342638511	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CC(=O)N	Q05397	O60674	5.187153463032929	9.187086643357144	3.9999331803242155	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCCF	Q05397	O60674	5.613119522320779	8.30715308072277	2.6940335584019914	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCN(CC5)CCO	Q05397	O60674	6.000434511774017	8.625251653989896	2.6248171422158784	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCNCC5	Q05397	O60674	5.947995167054879	9.013228265733755	3.065233098678876	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)C5CCNCC5	Q05397	O60674	5.5230235342404725	9.148741651280925	3.625718117040453	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4cnn(c4)CCN5CCCC5	Q05397	O60674	5.000043431619807	7.856985199745905	2.856941768126098	Different Family
[O60674, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)CN5CCOCC5	Q05397	O60674	6.466990977504515	8.309803919971486	1.8428129424669715	Different Family
[O60674, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccc3n2nc(n3)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	5.815024809301739	8.494850021680094	2.679825212378355	Different Family
[O60674, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	6.280917426098514	8.522878745280337	2.241961319181823	Different Family
[O60674, Q05397]	CS(=O)(=O)c1cccc(c1)c2cccn3c2nc(n3)Nc4cccc(c4)N5CCOCC5	Q05397	O60674	5.8700202453302905	8.2518119729938	2.3817917276635088	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccccc1CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	7.00533097817447	7.82131076022441	0.8159797820499399	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	5.886785537449024	7.843148098929989	1.9563625614809652	Different Family
[O60674, Q05397]	CS(=O)(=O)c1ccccc1Nc2cccn3c2nc(n3)Nc4ccccc4S(=O)(=O)C	Q05397	O60674	5.187153463032929	5.000043431619807	0.18711003141312155	Different Family
[O60674, Q05397]	Cc1c(c(n(n1)C)C)Nc2nc3c(cccn3n2)c4ccc(cc4)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, Q05397]	Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F	Q05397	O60674	7.795880017344075	7.920818753952375	0.1249387366082999	Different Family
[O60674, Q05397]	Cc1cc(ccn1)Nc2nc3c(cccn3n2)NCc4cccc(c4)OC	Q05397	O60674	5.000043431619807	6.227707638490234	1.2276642068704264	Different Family
[O60674, Q05397]	Cc1cc(ccn1)Nc2nc3c(cccn3n2)NCc4ccccc4OC	Q05397	O60674	5.587620102747198	7.607303046740334	2.0196829439931365	Different Family
[O60674, Q05397]	Cc1ccc(c(c1)OCC(C)C)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	5.5230235342404725	5.553484579260306	0.030461045019833044	Different Family
[O60674, Q05397]	Cc1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC(C)C	Q05397	O60674	5.000043431619807	5.510882814193884	0.5108393825740771	Different Family
[O60674, Q05397]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCN(CC6)C(=O)OC(C)(C)C	Q05397	O60674	5.000043431619807	5.772072180695213	0.7720287490754059	Different Family
[O60674, Q05397]	Cc1ccc(cc1)n2cc(cn2)c3cccn4c3nc(n4)Nc5ccc(cc5)C6CCNCC6	Q05397	O60674	5.617021726307695	8.393618634889394	2.7765969085816993	Different Family
[O60674, Q05397]	Cc1ccc(cn1)Nc2nc3c(cccn3n2)NCc4cccc(c4)OC	Q05397	O60674	5.000043431619807	5.992158376750328	0.9921149451305205	Different Family
[O60674, Q05397]	Cc1ccc(cn1)Nc2nc3c(cccn3n2)NCc4ccccc4OC	Q05397	O60674	5.725181970736307	7.559720786764411	1.834538816028104	Different Family
[O60674, Q05397]	Cc1cccn2c1nc(n2)Nc3ccc(cc3)S(=O)(=O)C	Q05397	O60674	5.000043431619807	5.58114872970792	0.5811052980881124	Different Family
[O60674, Q05397]	Cn1c2cccc(c2cn1)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	Q05397	O60674	5.985840823584235	7.781464494783473	1.7956236711992375	Different Family
[O60674, Q05397]	c1cc(c(=O)[nH]c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)cccn5	Q05397	O60674	5.000043431619807	6.649674436003297	1.6496310043834894	Different Family
[O60674, Q05397]	c1cc(c2c(c1)OC(O2)(F)F)c3ccc4n3nc(nc4)Nc5ccc(cc5)C6CCN(CC6)CC(=O)N	Q05397	O60674	6.913640169325252	7.886056647693163	0.9724164783679115	Different Family
[O60674, Q05397]	c1cc(c2c(c1)OC(O2)(F)F)c3cccn4c3nc(n4)Nc5ccc6c(c5)CCNCC6	Q05397	O60674	5.187153463032929	7.360413913326574	2.173260450293645	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C(F)(F)F)O	Q05397	O60674	5.000043431619807	5.5230235342404725	0.5229801026206653	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)C#N	Q05397	O60674	5.5230235342404725	8.23582386760967	2.712800333369197	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5ccc(cc5)F	Q05397	O60674	5.871400433297686	8.090443970758825	2.219043537461139	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)C4CCNCC4)c5cnn(c5)c6ccc(cc6)F	Q05397	O60674	6.000434511774017	8.67366413907125	2.673229627297232	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc(cc3)N4CCOCC4)c5ccncc5	Q05397	O60674	5.187153463032929	8.259637310505756	3.072483847472827	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5F)C(F)(F)F	Q05397	O60674	5.187153463032929	8.11690664142431	2.9297531783913806	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)(F)F	Q05397	O60674	6.000434511774017	6.589340843308633	0.5889063315346155	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)C(F)F	Q05397	O60674	5.96795772652292	6.692290076595193	0.7243323500722729	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3ccc4c(c3)CCNCC4)c5cc(ccc5OCC(F)F)Cl	Q05397	O60674	6.353939531444359	7.356843534380293	1.0029040029359342	Different Family
[O60674, Q05397]	c1cc(c2nc(nn2c1)Nc3cnn(c3)CCN4CCCC4)c5ccc(cc5)C(F)(F)F	Q05397	O60674	5.000043431619807	8.040958607678906	3.040915176059099	Different Family
[O60674, Q05397]	c1cc(cc(c1)C(F)(F)F)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5	Q05397	O60674	6.374677257821825	7.371406744148741	0.9967294863269158	Different Family
[O60674, Q05397]	c1cc(cc(c1)[N+](=O)[O-])CNc2cccn3c2nc(n3)N4CCOCC4	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)N4CCC(CC4)N	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)NCCN4CCOCC4	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	c1cc(cnc1)CNc2cccn3c2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	5.000043431619807	6.243607347429733	1.2435639158099256	Different Family
[O60674, Q05397]	c1cc(cnc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	Q05397	O60674	5.5230235342404725	7.586700235918748	2.0636767016782755	Different Family
[O60674, Q05397]	c1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC(F)F	Q05397	O60674	5.720022956344008	6.88672530753565	1.166702351191642	Different Family
[O60674, Q05397]	c1ccc(c(c1)c2cccn3c2nc(n3)Nc4ccc5c(c4)CCNCC5)OCC6CC6	Q05397	O60674	5.55454525710193	6.951519352526498	1.396974095424568	Different Family
[O60674, Q05397]	c1ccc(cc1)c2cccc3n2nc(n3)Nc4ccc(cc4)OCCN5CCCC5	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[O60674, Q05397]	c1ccc2c(c1)CCCN2c3cccc4n3nc(n4)N5CCCc6c5cccc6	Q05397	O60674	5.000043431619807	5.000043431619807	0.0	Different Family
[P53350, Q05397]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q05397	P53350	5.518557371497695	4.0	1.5185573714976952	Different Group
[P53350, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	P53350	5.341035157335565	4.663540266151471	0.6774948911840939	Different Group
[P53350, Q05397]	COc1ccc(cc1)CNc2ccnc3c2c4ccccc4o3	Q05397	P53350	3.712198270069774	3.567030709125594	0.14516756094417982	Different Group
[P53350, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	P53350	6.376750709602099	5.497572880015567	0.8791778295865322	Different Group
[P53350, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	P53350	6.096910013008056	5.199970640755866	0.8969393722521906	Different Group
[P53350, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	P53350	5.123782159408358	4.928117992693875	0.19566416671448295	Different Group
[P53350, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q05397	P53350	4.97061622231479	4.0	0.9706162223147903	Different Group
[P53350, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	P53350	5.507239610973163	5.476253533188435	0.030986077784727506	Different Group
[P53350, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	P53350	5.6777807052660805	5.4089353929735005	0.26884531229258	Different Group
[P53350, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	P53350	5.455931955649724	5.1938200260161125	0.26211192963361185	Different Group
[P53350, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	P53350	5.920818753952375	5.2403321553103694	0.6804865986420054	Different Group
[P53350, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	Q05397	P53350	5.356547323513812	5.00436480540245	0.3521825181113618	Different Group
[P08581, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	P08581	4.552841968657781	4.5376020021010435	0.015239966556737095	Different Family
[P08581, Q05397]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q05397	P08581	5.518557371497695	4.394694953858891	1.1238624176388043	Different Family
[P08581, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	P08581	5.341035157335565	5.505845405981558	0.1648102486459928	Different Family
[P08581, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q05397	P08581	6.1001574545454496	4.455931955649724	1.6442254988957252	Different Family
[P08581, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q05397	P08581	4.366531544420414	4.346787486224656	0.019744058195757752	Different Family
[P08581, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	P08581	6.376750709602099	6.236572006437063	0.1401787031650361	Different Family
[P08581, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	P08581	6.096910013008056	5.950781977329818	0.14612803567823818	Different Family
[P08581, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	P08581	5.123782159408358	5.06398920428479	0.05979295512356764	Different Family
[P08581, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q05397	P08581	4.787812395596042	5.015472686656207	0.2276602910601655	Different Family
[P08581, Q05397]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	Q05397	P08581	6.823908740944319	5.3124710387853655	1.5114377021589531	Different Family
[P08581, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	Q05397	P08581	5.0034883278458215	4.3223930472795065	0.6810952805663151	Different Family
[P08581, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q05397	P08581	4.97061622231479	4.560667306169737	0.40994891614505313	Different Family
[P08581, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	Q05397	P08581	5.016373712875465	4.145693958198919	0.8706797546765461	Different Family
[P08581, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q05397	P08581	4.772113295386326	4.468521082957745	0.3035922124285815	Different Family
[P08581, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q05397	P08581	4.87942606879415	4.107905397309519	0.7715206714846312	Different Family
[P08581, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	P08581	5.507239610973163	6.236572006437063	0.7293323954639002	Different Family
[P08581, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	P08581	5.6777807052660805	5.958607314841775	0.28082660957569416	Different Family
[P08581, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	P08581	5.455931955649724	6.096910013008056	0.6409780573583319	Different Family
[P08581, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	P08581	5.920818753952375	6.236572006437063	0.3157532524846882	Different Family
[P08581, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	P08581	5.136677139879544	5.552841968657781	0.41616482877823646	Different Family
[P08581, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	Q05397	P08581	5.356547323513812	5.481486060122113	0.1249387366083008	Different Family
[O00444, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O00444	4.552841968657781	4.552841968657781	0.0	Different Group
[O00444, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O00444	4.568636235841013	4.356547323513813	0.21208891232720006	Different Group
[O00444, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O00444	4.552841968657781	4.455931955649724	0.09691001300805624	Different Group
[O00444, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q05397	O00444	6.1001574545454496	6.00436480540245	0.09579264914299923	Different Group
[O00444, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q05397	O00444	5.022276394711152	5.0	0.022276394711152392	Different Group
[O00444, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q05397	O00444	4.366531544420414	5.045757490560675	0.679225946140261	Different Group
[O00444, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q05397	O00444	4.301029995663981	5.036212172654444	0.7351821769904632	Different Group
[O00444, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	O00444	5.507239610973163	5.527243550682788	0.020003939709624774	Different Group
[O00444, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	O00444	5.6777807052660805	5.3872161432802645	0.29056456198581593	Different Group
[O00444, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	O00444	5.455931955649724	6.154901959985743	0.6989700043360187	Different Group
[O00444, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	O00444	5.136677139879544	5.721246399047171	0.584569259167627	Different Group
[Q02763, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	Q02763	4.552841968657781	4.958607314841775	0.40576534618399407	Different Family
[Q02763, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	Q02763	4.568636235841013	4.958607314841775	0.38997107900076156	Different Family
[Q02763, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	Q02763	4.552841968657781	4.619788758288394	0.06694678963061307	Different Family
[Q02763, Q05397]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	Q02763	4.455931955649724	4.6020599913279625	0.14612803567823818	Different Family
[Q02763, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q05397	Q02763	6.1001574545454496	5.841805124463402	0.2583523300820474	Different Family
[Q02763, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q05397	Q02763	5.022276394711152	5.2839966563652006	0.26172026165404816	Different Family
[Q02763, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	Q05397	Q02763	4.3979400086720375	4.958607314841775	0.5606673061697371	Different Family
[Q02763, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q05397	Q02763	4.366531544420414	5.769551078621726	1.403019534201312	Different Family
[Q02763, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	Q02763	5.507239610973163	6.585026652029182	1.0777870410560189	Different Family
[Q02763, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	Q02763	5.6777807052660805	6.096910013008056	0.41912930774197577	Different Family
[Q02763, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	Q02763	5.455931955649724	6.221848749616356	0.7659167939666318	Different Family
[Q02763, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	Q02763	5.136677139879544	5.7447274948966935	0.6080503550171494	Different Family
[Q05397, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	Q05397	Q9UM73	5.518557371497695	6.013228265733755	0.4946708942360596	Different Group
[Q05397, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	Q9UM73	5.341035157335565	5.6595558851598815	0.31852072782431673	Different Group
[Q05397, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q05397	Q9UM73	6.853871964321762	7.590228032229065	0.7363560679073036	Different Group
[Q05397, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2ncc3ccc(n3n2)c4ccccc4	Q05397	Q9UM73	7.769551078621726	6.673664139071248	1.0958869395504776	Different Group
[Q05397, Q9UM73]	COc1ccccc1c2ccc3n2nc(nc3)Nc4ccc(cc4OC)C5CCN(CC5)CC(=O)N	Q05397	Q9UM73	7.6777807052660805	8.221848749616356	0.5440680443502757	Different Group
[Q05397, Q9UM73]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q05397	Q9UM73	4.686132779630847	5.0301183562535	0.3439855766226536	Different Group
[Q05397, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	Q9UM73	6.376750709602099	6.7447274948966935	0.3679767852945943	Different Group
[Q05397, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	Q9UM73	6.096910013008056	6.6020599913279625	0.5051499783199063	Different Group
[Q05397, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	Q9UM73	5.123782159408358	5.29929628285498	0.17551412344662243	Different Group
[Q05397, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q05397	Q9UM73	4.787812395596042	5.010550182333308	0.22273778673726596	Different Group
[Q05397, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	Q05397	Q9UM73	5.0034883278458215	5.380906669373258	0.37741834152743614	Different Group
[Q05397, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q05397	Q9UM73	4.97061622231479	5.360513510731414	0.3898972884166234	Different Group
[Q05397, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	Q05397	Q9UM73	5.016373712875465	5.325138859262188	0.30876514638672337	Different Group
[Q05397, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q05397	Q9UM73	4.772113295386326	5.0301183562535	0.25800506086717423	Different Group
[Q05397, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q05397	Q9UM73	4.87942606879415	5.1220530483708115	0.24262697957666113	Different Group
[Q05397, Q9UM73]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	Q05397	Q9UM73	5.1090204030103115	5.471083299722345	0.3620628967120334	Different Group
[Q05397, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	Q9UM73	5.920818753952375	5.478861916295964	0.44195683765641114	Different Group
[O14965, Q05397]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O14965	4.552841968657781	4.522878745280337	0.02996322337744317	Different Group
[O14965, Q05397]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O14965	4.568636235841013	4.481486060122113	0.08715017571890016	Different Group
[O14965, Q05397]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q05397	O14965	4.552841968657781	4.5376020021010435	0.015239966556737095	Different Group
[O14965, Q05397]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q05397	O14965	6.853871964321762	6.667561540084395	0.18631042423736677	Different Group
[O14965, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q05397	O14965	6.1001574545454496	5.135985522789741	0.9641719317557085	Different Group
[O14965, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q05397	O14965	5.022276394711152	4.795880017344075	0.2263963773670774	Different Group
[O14965, Q05397]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q05397	O14965	4.366531544420414	5.187086643357144	0.8205550989367305	Different Group
[O14965, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q05397	O14965	4.301029995663981	5.494850021680094	1.1938200260161125	Different Group
[O14965, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	O14965	5.507239610973163	5.605548319173784	0.0983087082006211	Different Group
[O14965, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	O14965	5.6777807052660805	7.0	1.3222192947339195	Different Group
[O14965, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	O14965	5.455931955649724	5.585026652029182	0.12909469637945747	Different Group
[O14965, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	O14965	5.136677139879544	5.4089353929735005	0.27225825309395635	Different Group
[P30530, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	P30530	5.341035157335565	4.882728704344236	0.4583064529913292	Different Family
[P30530, Q05397]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05397	P30530	5.080921907623926	5.040958607678906	0.039963299945020125	Different Family
[P30530, Q05397]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q05397	P30530	4.686132779630847	4.958607314841775	0.2724745352109279	Different Family
[P30530, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	P30530	6.376750709602099	6.795880017344075	0.41912930774197577	Different Family
[P30530, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	P30530	6.096910013008056	6.657577319177793	0.5606673061697371	Different Family
[P30530, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	P30530	5.123782159408358	5.609064892896621	0.4852827334882628	Different Family
[P30530, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q05397	P30530	4.787812395596042	5.1944991418416	0.40668674624555834	Different Family
[P30530, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	Q05397	P30530	5.0034883278458215	4.8326826652518236	0.170805662593998	Different Family
[P30530, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q05397	P30530	4.97061622231479	4.694648630553377	0.2759675917614137	Different Family
[P30530, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	Q05397	P30530	5.016373712875465	4.486782399932061	0.5295913129434044	Different Family
[P30530, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q05397	P30530	4.772113295386326	4.6595558851598815	0.11255741022644461	Different Family
[P30530, Q05397]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q05397	P30530	4.87942606879415	4.772113295386326	0.1073127734078243	Different Family
[P30530, Q05397]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	Q05397	P30530	5.1090204030103115	4.8326826652518236	0.2763377377584879	Different Family
[P30530, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	P30530	5.920818753952375	6.017728766960432	0.09691001300805713	Different Family
[P30530, Q05397]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	Q05397	P30530	5.356547323513812	5.356547323513812	0.0	Different Family
[O60285, Q05397]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q05397	O60285	5.341035157335565	4.531652669587842	0.8093824877477225	Different Group
[O60285, Q05397]	COc1c(ccc2c1CCC(CC2)N3CCOCC3)Nc4ncc(c(n4)NC5C6CC(C5C(=O)N)C=C6)Cl	Q05397	O60285	6.876148359032914	7.585026652029182	0.7088782929962676	Different Group
[O60285, Q05397]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q05397	O60285	6.1001574545454496	4.366531544420414	1.7336259101250358	Different Group
[O60285, Q05397]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q05397	O60285	6.376750709602099	5.600326278518962	0.7764244310831376	Different Group
[O60285, Q05397]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q05397	O60285	6.096910013008056	5.423658649794207	0.6732513632138488	Different Group
[O60285, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q05397	O60285	5.123782159408358	5.0	0.1237821594083579	Different Group
[O60285, Q05397]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q05397	O60285	4.787812395596042	4.525783735923745	0.26202865967229716	Different Group
[O60285, Q05397]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	Q05397	O60285	4.301029995663981	5.309803919971486	1.008773924307505	Different Group
[O60285, Q05397]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q05397	O60285	5.507239610973163	6.292429823902063	0.7851902129289003	Different Group
[O60285, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q05397	O60285	5.6777807052660805	5.7447274948966935	0.06694678963061307	Different Group
[O60285, Q05397]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q05397	O60285	5.455931955649724	5.769551078621726	0.31361912297200156	Different Group
[O60285, Q05397]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q05397	O60285	5.920818753952375	5.293282217663241	0.6275365362891341	Different Group
[O60285, Q05397]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q05397	O60285	5.136677139879544	5.494850021680094	0.3581728818005496	Different Group
[P80192, Q16584]	CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	Q16584	P80192	6.798602875679548	6.944099996550827	0.14549712087127897	Same Family
[P80192, Q16584]	CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	Q16584	P80192	7.187086643357144	7.533256356075647	0.3461697127185026	Same Family
[P80192, Q16584]	CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	Q16584	P80192	7.886056647693163	7.657577319177793	0.22847932851536967	Same Family
[P80192, Q16584]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q16584	P80192	7.853871964321762	7.721246399047171	0.13262556527459068	Same Family
[P80192, Q16584]	COc1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	Q16584	P80192	6.562249437179612	6.72584215073632	0.16359271355670835	Same Family
[P80192, Q16584]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCCO)CNC4=O	Q16584	P80192	7.060480747381382	6.995678626217358	0.06480212116402395	Same Family
[P80192, Q16584]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	Q16584	P80192	7.259637310505756	6.941679527169436	0.3179577833363201	Same Family
[P80192, Q16584]	c1ccc(cc1)c2cc3c(c4ccccc4[nH]3)c5c2CNC5=O	Q16584	P80192	5.920818753952375	5.5376020021010435	0.3832167518513314	Same Family
[P80192, Q16584]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	Q16584	P80192	7.657577319177793	6.949745802749019	0.7078315164287741	Same Family
[P80192, Q16584]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4=O	Q16584	P80192	7.920818753952375	7.351667404869234	0.5691513490831408	Same Family
[P80192, Q16584]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	Q16584	P80192	6.140261433802853	5.956244873031321	0.18401656077153206	Same Family
[P80192, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c-5c3Cc6c5cccc6)C(=O)NC4	Q16584	P80192	6.557520230935552	5.849243560139691	0.7082766707958612	Same Family
[P80192, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	Q16584	P80192	7.060480747381382	6.777283528852417	0.28319721852896507	Same Family
[P80192, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	Q16584	P80192	7.3979400086720375	7.161150909262744	0.23678909940929316	Same Family
[P80192, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3sc6c5cccc6)C(=O)NC4	Q16584	P80192	6.958607314841775	6.211124884224583	0.7474824306171914	Same Family
[P80192, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3sc6c5cccc6)CNC4=O	Q16584	P80192	6.804100347590766	6.31695296176115	0.4871473858296156	Same Family
[P80192, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4	Q16584	P80192	7.309803919971486	6.860120913598763	0.44968300637272307	Same Family
[P80192, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6oc5c3[nH]2)CNC4=O	Q16584	P80192	6.568636235841013	6.511449283499556	0.05718695234145699	Same Family
[P80192, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6sc5c3[nH]2)C(=O)NC4	Q16584	P80192	7.585026652029182	6.954677021213342	0.6303496308158394	Same Family
[P80192, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6sc5c3[nH]2)C(=O)NC4=O	Q16584	P80192	7.236572006437063	7.167491087293763	0.06908091914329972	Same Family
[P80192, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6sc5c3[nH]2)CNC4=O	Q16584	P80192	6.767003889607846	5.745935547085662	1.0210683425221836	Same Family
[P80192, Q16584]	c1ccc2c(c1)ccc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4=O	Q16584	P80192	6.522878745280337	6.522878745280337	0.0	Same Family
[P80192, Q16584]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	Q16584	P80192	6.220403508742176	7.168770306132937	0.9483667973907615	Same Family
[Q02779, Q16584]	CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	Q16584	Q02779	7.187086643357144	5.731656086048935	1.4554305573082091	Same Family
[Q02779, Q16584]	CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	Q16584	Q02779	7.886056647693163	7.346787486224656	0.539269161468507	Same Family
[Q02779, Q16584]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q16584	Q02779	7.853871964321762	7.376750709602099	0.4771212547196626	Same Family
[Q02779, Q16584]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	Q16584	Q02779	7.259637310505756	5.800793520838342	1.458843789667414	Same Family
[Q02779, Q16584]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	Q16584	Q02779	7.657577319177793	5.462558716592052	2.1950186025857414	Same Family
[Q02779, Q16584]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4=O	Q16584	Q02779	7.920818753952375	6.4698003017969175	1.4510184521554574	Same Family
[Q02779, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	Q16584	Q02779	7.060480747381382	5.574465779501737	1.4860149678796448	Same Family
[Q02779, Q16584]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	Q16584	Q02779	7.3979400086720375	6.438898616350944	0.9590413923210939	Same Family
[Q02779, Q16584]	c1ccc2c(c1)c3c4c(c5c6ccccc6sc5c3[nH]2)C(=O)NC4	Q16584	Q02779	7.585026652029182	5.680269505669775	1.9047571463594064	Same Family
[Q02779, Q16584]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	Q16584	Q02779	6.220403508742176	6.115204636051019	0.10519887269115635	Same Family
[P22607, P35968]	CC(=O)N1CCN(CC1)c2ccc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	9.2518119729938	7.8696662315049934	1.3821457414888059	Different Family
[P22607, P35968]	CC(=O)c1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.2839966563652	6.823908740944319	1.460087915420882	Different Family
[P22607, P35968]	CC(=O)c1cnc(nc1N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.657577319177793	6.920818753952375	1.7367585652254185	Different Family
[P22607, P35968]	CC(C#Cc1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F)O	P22607	P35968	7.876148359032914	6.703334809738469	1.1728135492944451	Different Family
[P22607, P35968]	CC(C)(C(=O)N(C)C)N=CC(C=N)c1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	9.130768280269024	7.681936665037238	1.4488316152317857	Different Family
[P22607, P35968]	CC(C)(C(=O)N)N=CC(C=N)c1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	8.838631997765026	7.323306390375134	1.515325607389892	Different Family
[P22607, P35968]	CC(C)(C(=O)NC)N=CC(C=N)c1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	8.903089986991944	7.294136287716081	1.6089536992758626	Different Family
[P22607, P35968]	CC(C)(C(=O)NC1CC1)n2cc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.958607314841775	7.259637310505756	1.6989700043360187	Different Family
[P22607, P35968]	CC(C)(C(=O)O)n1cc(cn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.939302159646388	7.174573882232177	1.7647282774142115	Different Family
[P22607, P35968]	CC(C)(C)OC(=O)N1CCCC(C1)n2cc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.886056647693163	7.323306390375134	1.5627502573180294	Different Family
[P22607, P35968]	CC(C)(C)OC(=O)N1CCc2c(sc(n2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F)C1	P22607	P35968	8.903089986991944	7.739928612014925	1.1631613749770189	Different Family
[P22607, P35968]	CC(C)(C)OC(=O)NCC1CCN(CC1)c2ccc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.3767507096021	6.769551078621726	1.6071996309803733	Different Family
[P22607, P35968]	CC(C)(CO)Nc1ccc(nn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.349692476868064	7.826813731587726	1.5228787452803383	Different Family
[P22607, P35968]	CC(C)(c1cccc(c1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)O	P22607	P35968	8.744727494896694	7.346787486224656	1.3979400086720375	Different Family
[P22607, P35968]	CC(C)(c1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)O	P22607	P35968	8.55284196865778	7.0	1.5528419686577806	Different Family
[P22607, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P22607	P35968	7.050609993355087	8.397940008672037	1.3473300153169507	Different Family
[P22607, P35968]	CC(C)N1CC(C1)N=CC(C=N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.212539525481585	7.950781977329818	1.2617575481517669	Different Family
[P22607, P35968]	CC(C)c1cc(nc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	7.958607314841775	6.229147988357856	1.7294593264839184	Different Family
[P22607, P35968]	CC(C)c1ccnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	6.3872161432802645	5.248720896016658	1.1384952472636067	Different Family
[P22607, P35968]	CC(C)c1cnc(nc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	9.080921907623926	7.853871964321762	1.2270499433021644	Different Family
[P22607, P35968]	CC(C)n1ccnc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.062482107982653	6.394694953858891	1.6677871541237623	Different Family
[P22607, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P22607	P35968	8.698970004336019	8.110924374808178	0.5880456295278407	Different Family
[P22607, P35968]	CC(c1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)(F)F	P22607	P35968	8.431798275933005	6.7447274948966935	1.6870707810363115	Different Family
[P22607, P35968]	CC(c1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)O	P22607	P35968	8.42021640338319	6.886056647693163	1.5341597556900268	Different Family
[P22607, P35968]	CCN(CC)CCNC(=O)C(C)(C)N=CC(C=N)c1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	8.55284196865778	7.4089353929735005	1.1439065756842801	Different Family
[P22607, P35968]	CCN1CCC(C1)N=CC(C=N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.235077015350111	7.958607314841775	1.2764697005083363	Different Family
[P22607, P35968]	CCNC(=O)Nc1cccc(c1)c2cnc3n2ccc(c3)C#Cc4cncn4C	P22607	P35968	7.540607512240769	6.496209316942819	1.0443981952979504	Different Family
[P22607, P35968]	CCNC(=O)Nc1cccc(c1)c2cnc3n2ccc(c3)c4ccc(c(n4)C)F	P22607	P35968	7.769551078621726	6.958607314841775	0.8109437637799513	Different Family
[P22607, P35968]	CCNC(=O)Nc1cccc(c1)c2cnc3n2ccc(c3)c4ncc(c(n4)N)C(F)(F)F	P22607	P35968	9.05551732784983	6.853871964321762	2.201645363528069	Different Family
[P22607, P35968]	CCNC(=O)Nc1cccc(c1)c2cnc3n2ccc(c3)c4ncc(c(n4)N)F	P22607	P35968	7.531652669587842	6.167491087293763	1.364161582294079	Different Family
[P22607, P35968]	CCNC(=O)Nc1cccc(c1)c2cnc3n2ccc(c3)c4ncccn4	P22607	P35968	7.011887159731648	5.860120913598763	1.151766246132885	Different Family
[P22607, P35968]	CCNC(=O)Nc1ncc(s1)c2cnc3n2ccc(c3)Cl	P22607	P35968	5.939302159646388	5.823908740944319	0.11539341870206954	Different Family
[P22607, P35968]	CCOC(=O)C(C)(C)n1cc(cn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.070581074285707	7.3872161432802645	1.6833649310054426	Different Family
[P22607, P35968]	CCOC(=O)Nc1c(cnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)F	P22607	P35968	7.769551078621726	6.1938200260161125	1.5757310526056134	Different Family
[P22607, P35968]	CCOC(=O)c1cnc(nc1N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.337242168318426	6.214670164989233	2.122572003329193	Different Family
[P22607, P35968]	CCOc1cccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.377785977033705	6.7447274948966935	1.6330584821370113	Different Family
[P22607, P35968]	CCOc1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.318758762624412	6.468521082957745	0.8502376796666677	Different Family
[P22607, P35968]	CN(C)C1CCN(CC1)c2ccc(nn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	9.086186147616283	8.042871802323187	1.043314345293096	Different Family
[P22607, P35968]	CN(C)CC#Cc1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	7.958607314841775	6.709965388637482	1.248641926204293	Different Family
[P22607, P35968]	CN(C)CCCOc1ccc(cn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.619788758288394	7.452225294612178	1.167563463676216	Different Family
[P22607, P35968]	CN(C)Cc1cnc(nc1N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.698970004336019	6.853871964321762	1.845098040014257	Different Family
[P22607, P35968]	CN(C)S(=O)(=O)n1ccnc1c2ccnc(n2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.494850021680094	7.552841968657781	0.9420080530223132	Different Family
[P22607, P35968]	CN(C)c1c(cnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)F	P22607	P35968	7.82102305270683	6.2839966563652006	1.5370263963416297	Different Family
[P22607, P35968]	CN(C)c1cc(nc(n1)C(F)(F)F)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.769551078621726	6.552841968657781	1.2167091099639453	Different Family
[P22607, P35968]	CN(C)c1ccc(nn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.214670164989233	8.108462542327436	1.1062076226617972	Different Family
[P22607, P35968]	CN(C)c1ccnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.886056647693163	6.416801226031377	1.469255421661786	Different Family
[P22607, P35968]	CN1CC(C1)n2cc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.978810700930062	7.795880017344075	1.1829306835859867	Different Family
[P22607, P35968]	CN1CCC(CC1)(C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)O	P22607	P35968	8.111259039317108	6.958607314841775	1.1526517244753336	Different Family
[P22607, P35968]	CN1CCC(CC1)Nc2ccc(nn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	9.136677139879545	7.886056647693163	1.250620492186382	Different Family
[P22607, P35968]	CN1CCC(CC1)n2cc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	9.263603497723357	7.872895201635193	1.3907082960881647	Different Family
[P22607, P35968]	CN1CCCC(C1)N=CC(C=N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.214670164989233	7.886056647693163	1.3286135172960698	Different Family
[P22607, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P22607	P35968	6.966576244513051	7.989405350465031	1.0228291059519803	Different Family
[P22607, P35968]	CN1CCN(CC1)c2ccc(nn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.958607314841775	7.876148359032914	1.0824589558088604	Different Family
[P22607, P35968]	CN1CCN(CC1)c2ncc(cn2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.425968732272281	7.134303940083929	1.2916647921883522	Different Family
[P22607, P35968]	CN=CC(c1ccn2c(c1)ncc2c3cccc(c3)NC(=O)NCC(F)(F)F)C(=N)CN	P22607	P35968	7.467245621007502	6.454692883534176	1.0125527374733263	Different Family
[P22607, P35968]	CNC(=O)c1ccnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.522878745280337	6.823908740944319	1.6989700043360187	Different Family
[P22607, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P22607	P35968	7.807153884811158	7.403512866263456	0.4036410185477024	Different Family
[P22607, P35968]	CNc1c(cnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	7.619788758288394	6.086186147616283	1.5336026106721103	Different Family
[P22607, P35968]	CNc1cc(nc(n1)SC)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.0	7.657577319177793	1.3424226808222066	Different Family
[P22607, P35968]	CNc1ccc(nn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.148741651280925	7.798602875679548	1.3501387756013772	Different Family
[P22607, P35968]	COC(=O)c1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.070581074285707	6.585026652029182	1.4855544222565253	Different Family
[P22607, P35968]	COCCNc1ccc(nn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.050609993355087	7.752026733638194	1.2985832597168931	Different Family
[P22607, P35968]	COCCc1nnc(s1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.191789027075778	7.621602099051862	1.570186928023916	Different Family
[P22607, P35968]	COCc1cc(nc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	8.2518119729938	6.468521082957745	1.7832908900360547	Different Family
[P22607, P35968]	COc1c(cccn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.356547323513813	6.235823867609669	1.1207234559041437	Different Family
[P22607, P35968]	COc1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccnc(n4)C(F)(F)F	P22607	P35968	7.031517051446065	6.0195421077238995	1.0119749437221657	Different Family
[P22607, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P22607	P35968	8.301029995663981	7.667561540084395	0.6334684555795862	Different Family
[P22607, P35968]	COc1cc(ncn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.3767507096021	6.823908740944319	1.5528419686577806	Different Family
[P22607, P35968]	COc1ccc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.00436480540245	7.568636235841013	1.4357285695614364	Different Family
[P22607, P35968]	COc1ccc(nn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.7594507517174	7.501689446210399	1.2577613055070014	Different Family
[P22607, P35968]	COc1cccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.55284196865778	7.102372908709558	1.4504690599482224	Different Family
[P22607, P35968]	COc1ccnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.02502800570193	6.343901797987168	1.6811262077147626	Different Family
[P22607, P35968]	COc1cnc(cn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.080921907623926	6.721246399047171	1.3596755085767551	Different Family
[P22607, P35968]	COc1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.104577453960593	6.585026652029182	1.5195508019314108	Different Family
[P22607, P35968]	COc1cnc(nc1N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.405607449624574	6.450996737974212	1.9546107116503615	Different Family
[P22607, P35968]	COc1cnc(nc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)Cl	P22607	P35968	7.45717457304082	6.008773924307505	1.4484006487333154	Different Family
[P22607, P35968]	COc1cncc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.906578314837765	6.628932137728264	1.2776461771095011	Different Family
[P22607, P35968]	COc1cncnc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.462180904926726	6.341988603342887	1.1201923015838382	Different Family
[P22607, P35968]	COc1nccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.939302159646388	6.454692883534176	1.484609276112212	Different Family
[P22607, P35968]	CS(=O)(=O)Nc1c(cnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)F	P22607	P35968	7.853871964321762	5.6777807052660805	2.1760912590556813	Different Family
[P22607, P35968]	CSc1nc(cc(n1)N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.886056647693163	7.229147988357856	1.6569086593353068	Different Family
[P22607, P35968]	Cc1c(ccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)F	P22607	P35968	8.425968732272281	7.200659450546419	1.2253092817258624	Different Family
[P22607, P35968]	Cc1c(nnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)C	P22607	P35968	7.8696662315049934	6.481486060122113	1.3881801713828805	Different Family
[P22607, P35968]	Cc1cc(=O)n2c(n1)sc(n2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	7.886056647693163	6.568636235841013	1.31742041185215	Different Family
[P22607, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P22607	P35968	6.366531544420414	5.375717904164332	0.9908136402560821	Different Family
[P22607, P35968]	Cc1cc(cnc1N(C)C(=O)OC(C)(C)C)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.540607512240769	6.804100347590766	1.7365071646500025	Different Family
[P22607, P35968]	Cc1cc(cnc1NC)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.605548319173783	7.011887159731648	1.593661159442135	Different Family
[P22607, P35968]	Cc1cc(cnc1OC)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.229147988357855	6.7447274948966935	1.4844204934611618	Different Family
[P22607, P35968]	Cc1cc(nc(c1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)C	P22607	P35968	8.462180904926726	6.882728704344236	1.57945220058249	Different Family
[P22607, P35968]	Cc1cc(nc(n1)C(C)C)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.55284196865778	7.080921907623926	1.4719200610338543	Different Family
[P22607, P35968]	Cc1cc(nc(n1)C(F)(F)F)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.958607314841775	6.795880017344075	1.1627272974976997	Different Family
[P22607, P35968]	Cc1cc(nc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)C(=O)NC	P22607	P35968	7.721246399047171	6.251811972993799	1.4694344260533718	Different Family
[P22607, P35968]	Cc1cc(nc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	8.036212172654444	6.468521082957745	1.5676910896966998	Different Family
[P22607, P35968]	Cc1cc(nnc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.3767507096021	6.943095148663527	1.433655560938572	Different Family
[P22607, P35968]	Cc1cc(nnc1Cl)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.449771646944907	6.723538195826756	1.7262334511181505	Different Family
[P22607, P35968]	Cc1cc(nnc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)Cl	P22607	P35968	7.221848749616356	6.3325470471100465	0.8893017025063097	Different Family
[P22607, P35968]	Cc1cc2ncc(n2cc1C)c3cccc(c3)NC(=O)NCC(F)(F)F	P22607	P35968	7.0	5.568636235841013	1.431363764158987	Different Family
[P22607, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P22607	P35968	7.978810700930062	8.638272163982407	0.6594614630523452	Different Family
[P22607, P35968]	Cc1ccc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	9.075720713938118	7.570247719997592	1.5054729939405256	Different Family
[P22607, P35968]	Cc1ccc(nn1)c2ccn3c(c2)ncc3c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	8.201349354554731	7.094743951251549	1.106605403303182	Different Family
[P22607, P35968]	Cc1cccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.593459819566045	7.2343314452409855	1.359128374325059	Different Family
[P22607, P35968]	Cc1cccnc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.642065152999546	6.568636235841013	1.073428917158533	Different Family
[P22607, P35968]	Cc1ccnc(c1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.886056647693163	7.060980223551334	1.8250764241418294	Different Family
[P22607, P35968]	Cc1ccnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.628932137728264	6.2020403562628035	1.4268917814654607	Different Family
[P22607, P35968]	Cc1cn2c(n1)sc(n2)c3ccn4c(c3)ncc4c5cc(cc(c5)OC(C)C)NC(=O)NCC(F)(F)F	P22607	P35968	9.017728766960431	7.920818753952375	1.0969100130080562	Different Family
[P22607, P35968]	Cc1cn2c(n1)sc(n2)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.920818753952375	7.853871964321762	1.066946789630613	Different Family
[P22607, P35968]	Cc1cnc(cn1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.043831569524636	6.619788758288394	1.4240428112362427	Different Family
[P22607, P35968]	Cc1cnc(nc1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.823908740944319	6.376750709602099	1.4471580313422194	Different Family
[P22607, P35968]	Cc1cnc(nc1N(C)C)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.7447274948966935	6.2441251443275085	1.500602350569185	Different Family
[P22607, P35968]	Cc1cnc(nc1N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.234331445240986	6.377785977033705	1.8565454682072815	Different Family
[P22607, P35968]	Cc1cnc(nc1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)N	P22607	P35968	7.638272163982407	6.407823242604133	1.230448921378274	Different Family
[P22607, P35968]	Cc1cncc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.853871964321762	6.482804102050026	1.3710678622717358	Different Family
[P22607, P35968]	Cc1cnnc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.767003889607846	6.341988603342887	1.4250152862649585	Different Family
[P22607, P35968]	Cc1nc(cc(n1)N)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.823908740944319	7.376750709602099	1.4471580313422194	Different Family
[P22607, P35968]	Cc1nc(cc(n1)N2CCN(CC2)CCO)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.187086643357144	6.1938200260161125	1.9932666173410318	Different Family
[P22607, P35968]	Cc1nc2cc(ccc2s1)c3ccn4c(c3)ncc4c5cccc(c5)NC(=O)NCC(F)(F)F	P22607	P35968	8.67778070526608	6.958607314841775	1.7191733904243058	Different Family
[P22607, P35968]	Cc1ncc(n1C)C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.30539480106643	6.903089986991944	1.402304814074487	Different Family
[P22607, P35968]	Cc1nccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.385102783966865	7.110698297493689	1.2744044864731752	Different Family
[P22607, P35968]	Cc1nccn1c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	6.647817481888637	5.872895201635193	0.7749222802534446	Different Family
[P22607, P35968]	Cc1nnc(o1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)N	P22607	P35968	7.576754126063192	6.163675884293248	1.4130782417699441	Different Family
[P22607, P35968]	Cc1nnc(o1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NC5CC5	P22607	P35968	6.638272163982407	6.154901959985743	0.48337020399666386	Different Family
[P22607, P35968]	Cn1c(=O)ccc(n1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.431798275933005	7.4698003017969175	0.9619979741360876	Different Family
[P22607, P35968]	Cn1c(cnc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)CO	P22607	P35968	8.431798275933005	6.886056647693163	1.545741628239842	Different Family
[P22607, P35968]	Cn1cc(cn1)C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.337242168318426	6.638272163982407	1.6989700043360187	Different Family
[P22607, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P22607	P35968	7.301029995663981	7.356547323513813	0.055517327849831766	Different Family
[P22607, P35968]	Cn1ccc(n1)C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.202040356262804	6.823908740944319	1.3781316153184857	Different Family
[P22607, P35968]	Cn1ccnc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.230713133096572	6.8984835564926446	1.3322295766039272	Different Family
[P22607, P35968]	Cn1ccnc1C=Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.958607314841775	6.585026652029182	1.3735806628125928	Different Family
[P22607, P35968]	Cn1cncc1C#Cc2ccn3c(c2)ncc3c4cc(ccc4F)NC(=O)NCC(F)(F)F	P22607	P35968	8.086186147616283	6.701146923590294	1.3850392240259897	Different Family
[P22607, P35968]	Cn1cncc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)N	P22607	P35968	8.015472686656208	7.020451625295905	0.995021061360303	Different Family
[P22607, P35968]	Cn1cncc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NC5CC5	P22607	P35968	7.318758762624412	6.525783735923745	0.7929750267006677	Different Family
[P22607, P35968]	Cn1cncc1C#Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.350665141287859	6.94692155651658	1.403743584771279	Different Family
[P22607, P35968]	Cn1cncc1C=Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.337242168318426	7.259637310505756	1.0776048578126698	Different Family
[P22607, P35968]	Cn1cncc1CCc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	7.064492734175287	6.072116589669293	0.992376144505994	Different Family
[P22607, P35968]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P22607	P35968	6.552841968657781	6.795880017344075	0.24303804868629442	Different Family
[P22607, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P22607	P35968	5.301029995663981	5.301029995663981	0.0	Different Family
[P22607, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P22607	P35968	5.309803919971486	6.0	0.6901960800285138	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)N)c2cnc3n2ccc(c3)Cl	P22607	P35968	7.032920265855503	5.860120913598763	1.1727993522567397	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)N)c2cnc3n2ccc(c3)c4ccc(cc4)F	P22607	P35968	8.642065152999546	7.3655227298392685	1.2765424231602776	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)N)c2cnc3n2ccc(c3)c4ncc(c(n4)N)F	P22607	P35968	8.239577516576787	6.628932137728264	1.610645378848523	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)N)c2cnc3n2ccc(c3)c4ncccn4	P22607	P35968	7.452225294612178	6.151195298948196	1.3010299956639813	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)N)c2cnc3n2ccc(c3)c4nncs4	P22607	P35968	8.31069114087638	7.130768280269024	1.1799228606073555	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NC2CC2)c3cnc4n3ccc(c4)Cl	P22607	P35968	6.2636034977233574	5.293282217663241	0.9703212800601166	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NC2CC2)c3cnc4n3ccc(c4)c5ccc(cc5)F	P22607	P35968	7.661543506395395	6.856985199745905	0.8045583066494899	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NC2CC2)c3cnc4n3ccc(c4)c5ncc(c(n5)N)F	P22607	P35968	7.45717457304082	6.241088107602026	1.216086465438794	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NC2CC2)c3cnc4n3ccc(c4)c5ncccn5	P22607	P35968	6.6777807052660805	5.661543506395395	1.0162371988706855	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NC2CC2)c3cnc4n3ccc(c4)c5nncs5	P22607	P35968	7.366531544420414	6.761953896871205	0.6045776475492088	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C#CCCO	P22607	P35968	7.607303046740334	6.45717457304082	1.1501284736995139	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C#CCO	P22607	P35968	7.772113295386326	6.318758762624412	1.4533545327619137	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C#Cc4cccnc4	P22607	P35968	7.982966660701219	6.657577319177793	1.325389341523426	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C#Cc4ccsc4	P22607	P35968	7.616184634019569	6.022276394711152	1.5939082393084165	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C#Cc4nccn4CCO	P22607	P35968	8.356547323513812	6.823908740944319	1.5326385825694935	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C(=CCC(=N)N4CCOCC4)N	P22607	P35968	9.193820026016112	7.939302159646388	1.2545178663697243	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C(=N)C=CCN	P22607	P35968	8.397940008672037	7.090443970758825	1.3074960379132126	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)C=CCO	P22607	P35968	8.113509274827518	6.769551078621726	1.3439581962057918	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)N	P22607	P35968	6.5301779840218375	5.073143291050307	1.45703469297153	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4c(cccn4)N	P22607	P35968	7.182434630440219	5.995678626217358	1.186756004222861	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4c(nccn4)N	P22607	P35968	7.102922996790579	5.785156151952302	1.3177668448382773	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4c[nH]c(=O)cn4	P22607	P35968	8.207608310501746	6.7447274948966935	1.4628808156050521	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(=O)[nH]cn4	P22607	P35968	8.022276394711152	6.619788758288394	1.4024876364227588	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(c(cn4)C(F)(F)F)N	P22607	P35968	8.602059991327963	7.031517051446065	1.5705429398818973	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(ccn4)C(=O)N	P22607	P35968	7.958607314841775	6.522878745280337	1.4357285695614372	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(ccn4)F	P22607	P35968	8.431798275933005	6.886056647693163	1.545741628239842	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(ccn4)N	P22607	P35968	8.886056647693163	7.309803919971486	1.576252727721677	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cc(ncn4)C(F)(F)F	P22607	P35968	8.468521082957745	6.619788758288394	1.848732324669351	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(=O)[nH]n4	P22607	P35968	8.610833915635467	7.431798275933005	1.1790356397024624	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(=O)n(n4)CCO	P22607	P35968	8.57186520597121	7.4156687756324695	1.156196430338741	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(c(n4)N)C(F)(F)F	P22607	P35968	7.356547323513813	6.102372908709558	1.2541744148042548	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cc4)CCO	P22607	P35968	9.050609993355087	7.501689446210399	1.5489205471446876	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cn4)C(=O)N	P22607	P35968	8.958607314841775	7.494850021680094	1.463757293161681	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cn4)CCO	P22607	P35968	9.152427340857887	7.732828271596986	1.4195990692609008	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cn4)CO	P22607	P35968	9.0268721464003	7.5376020021010435	1.4892701442992573	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cn4)F	P22607	P35968	8.756961951313706	7.297569463554475	1.4593924877592306	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(cn4)N	P22607	P35968	9.10292299679058	7.718966632752273	1.3839563640383075	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nc4)N5CCCCC5	P22607	P35968	8.647817481888637	7.025028005701931	1.622789476186706	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)C#N	P22607	P35968	8.782516055786093	7.301029995663981	1.481486060122112	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)Cl	P22607	P35968	8.455931955649724	7.292429823902063	1.163502131747661	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)N5CCC(CC5)N	P22607	P35968	9.271646217978772	8.050609993355087	1.2210362246236848	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)N5CCC5	P22607	P35968	9.145693958198919	7.903089986991944	1.2426039712069752	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)N5CCCC(C5)O	P22607	P35968	9.315154638355587	8.011887159731648	1.3032674786239387	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)N5CCCCC5	P22607	P35968	9.259637310505756	7.698970004336019	1.5606673061697371	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)N5CCNC(=O)C5	P22607	P35968	9.275724130399212	7.920818753952375	1.3549053764468368	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)NCCO	P22607	P35968	9.244887733604928	7.844663962534939	1.4002237710699896	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)OC5CCCNC5	P22607	P35968	8.779891911959945	7.607303046740334	1.1725888652196108	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccc(nn4)OC5CCNCC5	P22607	P35968	8.638272163982407	7.404503778174426	1.2337683858079806	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cccc(n4)N	P22607	P35968	8.856985199745905	7.669586226650809	1.187398973095096	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cccnc4	P22607	P35968	8.554395796726402	7.229884705212898	1.3245110915135037	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccnc(n4)C(F)(F)F	P22607	P35968	8.032452023781138	6.769551078621726	1.2629009451594122	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccncc4	P22607	P35968	8.812479279163536	7.488116639021126	1.324362640142411	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccncn4	P22607	P35968	8.515700160653214	7.2225731776106885	1.2931269830425256	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccnnc4	P22607	P35968	8.104025267640935	6.886056647693163	1.2179686199477722	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ccsc4C(=O)N	P22607	P35968	7.987162775294828	6.54515513999149	1.4420076353033382	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnc(cn4)N	P22607	P35968	8.31069114087638	6.928117992693875	1.3825731481825043	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnc(nc4)N5CC(C5)(F)F	P22607	P35968	7.886056647693163	6.638272163982407	1.2477844837107561	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnc(nc4)N5CCNC(=O)C5	P22607	P35968	8.323306390375134	7.078833949362261	1.2444724410128725	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnccn4	P22607	P35968	8.033389013318066	6.838631997765025	1.1947570155530416	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cncnc4	P22607	P35968	7.568636235841013	6.226945306635737	1.341690929205276	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CCCNC5	P22607	P35968	9.213248577854438	7.97469413473523	1.2385544431192086	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CCNC5	P22607	P35968	9.219682687859848	7.987162775294828	1.23251991256502	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CCNCC5	P22607	P35968	9.244125144327509	7.97469413473523	1.269431009592279	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CCOC5	P22607	P35968	9.266000713461613	7.809668301829708	1.4563324116319052	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CN(C5)CCO	P22607	P35968	7.7447274948966935	6.0	1.7447274948966935	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4cnn(c4)C5CNC5	P22607	P35968	9.09312646527793	7.8996294548824375	1.1934970103954923	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nc(cc(n4)N)C(F)(F)F	P22607	P35968	7.721246399047171	6.031517051446065	1.689729347601106	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nc5c(s4)CCC5	P22607	P35968	8.958607314841775	7.603800652904264	1.354806661937511	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nc5c(s4)CNCC5	P22607	P35968	9.170696227168975	8.105130343254748	1.0655658839142266	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)Cl)N	P22607	P35968	7.22329881601159	5.954677021213342	1.2686217947982472	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)C(=O)O	P22607	P35968	8.585026652029182	6.468521082957745	2.116505569071437	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)C(F)(F)F	P22607	P35968	8.407823242604133	6.318758762624412	2.0890644799797204	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)CN5CCC5	P22607	P35968	8.649751981665837	6.853871964321762	1.795880017344075	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)CO	P22607	P35968	8.267606240177031	6.3979400086720375	1.8696662315049934	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)F	P22607	P35968	8.31695296176115	6.5718652059712115	1.745087755789938	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)N	P22607	P35968	8.2839966563652	6.468521082957745	1.815475573407456	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)N)OCCO	P22607	P35968	8.3767507096021	6.481486060122113	1.8952646494799863	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)NC5CC5)F	P22607	P35968	7.585026652029182	5.920818753952375	1.664207898076807	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)NCCN)F	P22607	P35968	7.255707016877324	6.189095719331299	1.0666112975460242	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(c(n4)NCCO)F	P22607	P35968	7.721246399047171	6.230622673923862	1.4906237251233092	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(cn4)C(=O)O	P22607	P35968	8.09151498112135	6.443697499232713	1.6478174818886364	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(cn4)C(F)(F)F	P22607	P35968	7.779891911959945	6.165579296318468	1.6143126156414773	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(cn4)CO	P22607	P35968	8.0268721464003	6.619788758288394	1.4070833881119071	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(cn4)F	P22607	P35968	7.838631997765025	6.455931955649724	1.3827000421153004	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncc(cn4)N	P22607	P35968	7.876148359032914	6.347753658996677	1.5283947000362375	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)C#N	P22607	P35968	7.920818753952375	6.080921907623926	1.8398968463284486	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)C(=O)N	P22607	P35968	8.121478204498793	6.767003889607846	1.3544743148909468	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)C(=O)N5CCOCC5	P22607	P35968	7.886056647693163	6.508638306165727	1.3774183415274361	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)C(F)(F)F	P22607	P35968	7.4156687756324695	5.920818753952375	1.4948500216800946	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N	P22607	P35968	8.197226274708024	6.504455662453552	1.6927706122544723	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CC(C5)N	P22607	P35968	7.619788758288394	6.619788758288394	1.0	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CC(C5)O	P22607	P35968	7.619788758288394	6.2839966563652006	1.335792101923193	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CCC(CC5)O	P22607	P35968	7.732828271596986	6.400116927926312	1.332711343670674	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CCC5	P22607	P35968	7.619788758288394	6.086186147616283	1.5336026106721103	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CCN(CC5)CCO	P22607	P35968	8.040958607678906	6.173925197299173	1.867033410379733	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)N5CCNCC5	P22607	P35968	7.920818753952375	6.585026652029182	1.335792101923193	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)O	P22607	P35968	7.086186147616283	5.42021640338319	1.6659697442330934	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccc(n4)n5ccnc5	P22607	P35968	9.337242168318426	7.920818753952375	1.4164234143660508	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4ncccn4	P22607	P35968	7.8696662315049934	6.369572124974976	1.5000941065300175	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nccnn4	P22607	P35968	7.747146969020107	6.348721986001856	1.3984249830182502	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)C(F)(F)F	P22607	P35968	8.402304814074487	7.187086643357144	1.2152181707173426	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)C5CCCO5	P22607	P35968	9.080921907623926	7.345823458122039	1.735098449501887	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)CCN5CCCC5	P22607	P35968	8.214670164989233	6.657577319177793	1.5570928458114395	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)CCN5CCCCC5	P22607	P35968	9.152427340857887	8.105130343254748	1.047296997603139	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)CCO	P22607	P35968	9.0	7.721246399047171	1.2787536009528289	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)N	P22607	P35968	9.267606240177031	7.853871964321762	1.4137342758552691	Different Family
[P22607, P35968]	c1cc(cc(c1)NC(=O)NCC(F)(F)F)c2cnc3n2ccc(c3)c4nnc(s4)NC5CC5	P22607	P35968	8.819136081991203	7.853871964321762	0.9652641176694416	Different Family
[P22607, P35968]	c1cc(cc(c1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F)CCO	P22607	P35968	8.57186520597121	7.489454989793388	1.0824102161778226	Different Family
[P22607, P35968]	c1cc(nnc1)c2ccn3c(c2)ncc3c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	8.1331221856625	6.958607314841775	1.174514870820726	Different Family
[P22607, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P22607	P35968	7.6020599913279625	8.113509274827518	0.5114492834995552	Different Family
[P22607, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P22607	P35968	5.4089353929735005	5.3872161432802645	0.02171924969323591	Different Family
[P22607, P35968]	c1ccnc(c1)C=Cc2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.417734351847283	6.859710814815962	1.5580235370313211	Different Family
[P22607, P35968]	c1ccnc(c1)c2ccn3c(c2)ncc3c4cccc(c4)NC(=O)NCC(F)(F)F	P22607	P35968	8.920818753952375	7.431798275933005	1.4890204780193699	Different Family
[P22607, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P22607	P35968	5.022276394711152	5.187086643357144	0.16481024864599192	Different Family
[P22607, P35968]	c1cn2c(cc1C#CC3CC3)ncc2c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	7.777283528852417	6.570247719997592	1.2070358088548243	Different Family
[P22607, P35968]	c1cn2c(cc1Cl)ncc2c3cc(cnc3)NC(=O)NCC(F)(F)F	P22607	P35968	7.096910013008056	5.585026652029182	1.5118833609788744	Different Family
[P22607, P35968]	c1cn2c(cc1c3cnn(c3)C4CCNCC4)ncc2c5cc(cnc5)NC(=O)NCC(F)(F)F	P22607	P35968	9.031517051446064	7.815308569182402	1.2162084822636627	Different Family
[P22607, P35968]	c1cn2c(cc1c3cnn(c3)C4CNC4)ncc2c5cc(cnc5)NC(=O)NCC(F)(F)F	P22607	P35968	8.920818753952375	7.872895201635193	1.0479235523171821	Different Family
[P22607, P35968]	c1cn2c(cc1c3ncc(c(n3)N)F)ncc2c4cc(cc(c4)Cl)NC(=O)NCC(F)(F)F	P22607	P35968	8.259637310505756	6.552841968657781	1.7067953418479753	Different Family
[P22607, P35968]	c1cn2c(cc1c3ncc(c(n3)N)F)ncc2c4cc(cc(c4)F)NC(=O)NCC(F)(F)F	P22607	P35968	8.886056647693163	6.769551078621726	2.116505569071437	Different Family
[P22607, P35968]	c1cn2c(cc1c3ncc(c(n3)N)F)ncc2c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	8.15676722190199	6.478861916295964	1.6779053056060267	Different Family
[P22607, P35968]	c1cn2c(cc1c3nncs3)ncc2c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	8.096910013008056	7.049148541111453	1.047761471896603	Different Family
[P22607, P35968]	c1cnc(nc1)c2ccn3c(c2)ncc3c4cc(cc(c4)Cl)NC(=O)NCC(F)(F)F	P22607	P35968	8.086186147616283	6.6777807052660805	1.4084054423502028	Different Family
[P22607, P35968]	c1cnc(nc1)c2ccn3c(c2)ncc3c4cc(cc(c4)F)NC(=O)NCC(F)(F)F	P22607	P35968	8.356547323513812	6.823908740944319	1.5326385825694935	Different Family
[P22607, P35968]	c1cnc(nc1)c2ccn3c(c2)ncc3c4cc(cc(c4)NC(=O)NCC(F)(F)F)C(F)(F)F	P22607	P35968	6.958607314841775	5.886056647693163	1.0725506671486116	Different Family
[P22607, P35968]	c1cnc(nc1)c2ccn3c(c2)ncc3c4cc(cnc4)NC(=O)NCC(F)(F)F	P22607	P35968	7.425968732272281	6.120904120499927	1.3050646117723543	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)Br)NC(=O)NCC(F)(F)F)C(F)(F)F	P22607	P35968	7.4089353929735005	6.301029995663981	1.1079053973095192	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)Cl)NC(=O)NCC(F)(F)F)C(F)(F)F	P22607	P35968	7.6777807052660805	6.568636235841013	1.1091444694250674	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)F)NC(=O)NCC(F)(F)F)C(F)(F)F	P22607	P35968	8.292429823902063	6.853871964321762	1.4385578595803015	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)NC(=O)NCC(F)(F)F)C#N)C(F)(F)F	P22607	P35968	7.769551078621726	7.036212172654444	0.7333389059672815	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)NC(=O)NCC(F)(F)F)C(F)(F)F)C(F)(F)F	P22607	P35968	6.568636235841013	5.886056647693163	0.68257958814785	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)NC(=O)NCC(F)(F)F)CO)C(F)(F)F	P22607	P35968	7.107905397309519	6.356547323513812	0.7513580737957071	Different Family
[P22607, P35968]	c1cnc(nc1c2ccn3c(c2)ncc3c4cc(cc(c4)O)NC(=O)NCC(F)(F)F)C(F)(F)F	P22607	P35968	7.259637310505756	6.221848749616356	1.0377885608893997	Different Family
[P11362, P22607]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3c(ccc4)Br	P22607	P11362	4.7361273231347765	5.806875401645538	1.0707480785107615	Same Family
[P11362, P22607]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3cccc4	P22607	P11362	4.706858516549069	5.498940737782249	0.79208222123318	Same Family
[P11362, P22607]	CC(C)(C#CC(=O)N1CCC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC)O	P22607	P11362	9.301029995663981	7.698970004336019	1.6020599913279625	Same Family
[P11362, P22607]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)N)c3c(cccc3Cl)Cl	P22607	P11362	6.537602002101044	6.958607314841775	0.4210053127407303	Same Family
[P11362, P22607]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P22607	P11362	7.050609993355087	7.886056647693163	0.8354466543380763	Same Family
[P11362, P22607]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P22607	P11362	7.8970190884701825	8.200659450546418	0.30364036207623535	Same Family
[P11362, P22607]	CCCCOc1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P11362	6.795880017344075	7.657577319177793	0.8616973018337184	Same Family
[P11362, P22607]	CCCCc1ccc2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P11362	6.3979400086720375	6.638272163982407	0.24033215531036944	Same Family
[P11362, P22607]	CCN1CCC(CC1)c2ccc(cc2)C(=O)Nc3cc(ccn3)Oc4cc5ccn(c5cc4OC)C(=O)NC	P22607	P11362	8.102372908709558	7.995678626217358	0.10669428249220037	Same Family
[P11362, P22607]	CCc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P22607	P11362	7.102372908709558	8.537602002101044	1.4352290933914862	Same Family
[P11362, P22607]	CN(C)CC=CC(=O)N1CC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC	P22607	P11362	9.154901959985743	8.55284196865778	0.6020599913279625	Same Family
[P11362, P22607]	CN1CCC(CC1)c2ccc3c(c2)cc([nH]3)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C(F)F	P22607	P11362	6.886056647693163	7.060480747381382	0.1744240996882187	Same Family
[P11362, P22607]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P22607	P11362	6.966576244513051	7.2677386874207635	0.3011624429077129	Same Family
[P11362, P22607]	CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(n3)c(c(cn4)Cl)N5CCN(CC5)CC(=O)Nc6nccs6	P22607	P11362	7.423855827808472	7.392578075976151	0.031277751832321066	Same Family
[P11362, P22607]	CNC(=O)n1ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4)C5CCN(CC5)C)OCCOC	P22607	P11362	8.221848749616356	8.244125144327509	0.022276394711152392	Same Family
[P11362, P22607]	CNC(=O)n1ccc2c1cc(c(c2)Oc3ccnc(c3)NC(=O)c4ccc(cc4)C5CCN(CC5)CCO)OCCOC	P22607	P11362	8.267606240177031	8.236572006437063	0.03103423373996783	Same Family
[P11362, P22607]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P22607	P11362	7.807153884811158	8.096910013008056	0.2897561281968981	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)C#CC2=CN(C3C2C(=NC=N3)N)C4CN(C4)C(=O)C=C	P22607	P11362	10.0	8.920818753952375	1.079181246047625	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C#C)N	P22607	P11362	9.698970004336019	8.853871964321762	0.8450980400142569	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N	P22607	P11362	9.301029995663981	8.443697499232712	0.857332496431269	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CN(C4)C(=O)C=C)N	P22607	P11362	9.522878745280337	8.494850021680094	1.0280287236002437	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)C#Cc2cn(c3c2c(ncn3)N)C4CN(C4)C(=O)C=CCN5CCC(C5)O	P22607	P11362	9.154901959985743	8.508638306165727	0.6462636538200162	Same Family
[P11362, P22607]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P22607	P11362	8.301029995663981	9.0	0.6989700043360187	Same Family
[P11362, P22607]	Cc1[nH]c2c(n1)C=C(CC2)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)S(=O)(=O)C)N	P22607	P11362	7.443697499232713	8.102372908709558	0.658675409476845	Same Family
[P11362, P22607]	Cc1[nH]c2cc(cc(c2n1)F)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P22607	P11362	6.443697499232713	7.455931955649724	1.0122344564170112	Same Family
[P11362, P22607]	Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4c(c5ccccc5[nH]4)F)N	P22607	P11362	6.42021640338319	7.1249387366083	0.70472233322511	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)N3C(C(C=N3)C(=O)c4cc5ccc(cc5[nH]4)CN(CCOC)CCOC)N	P22607	P11362	7.468521082957745	8.017728766960431	0.5492076840026865	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=C(C=CC5N4)C(=O)N6CCC(C6)(F)F)N	P22607	P11362	6.585026652029182	7.251811972993799	0.6667853209646175	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC(=CC5N4)C#N)N	P22607	P11362	7.494850021680094	8.045757490560675	0.5509074688805811	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC=CC5N4)N	P22607	P11362	7.7447274948966935	8.301029995663981	0.5563025007672877	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)Br)Br)N	P22607	P11362	5.853871964321762	6.585026652029182	0.73115468770742	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)c5cccnc5)c6cccnc6)N	P22607	P11362	5.7447274948966935	5.769551078621726	0.02482358372503235	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)Br)N	P22607	P11362	5.6777807052660805	6.4089353929735005	0.73115468770742	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5ccc(cc5)OC)N	P22607	P11362	5.497572880015567	6.070581074285707	0.5730081942701402	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5cccc(c5)F)N	P22607	P11362	5.008773924307505	6.6777807052660805	1.6690067809585756	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5=CC(C(C=c5[nH]4)CN6CCOCC6)F)N	P22607	P11362	7.721246399047171	7.7447274948966935	0.023481095849522404	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5F)Br)N	P22607	P11362	6.823908740944319	7.346787486224656	0.5228787452803374	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5OC)OC)N	P22607	P11362	7.096910013008056	7.3979400086720375	0.30102999566398125	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5F)N	P22607	P11362	6.721246399047171	7.154901959985743	0.43365556093857194	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NC(CO)CO)N	P22607	P11362	8.2518119729938	8.3767507096021	0.1249387366082999	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCN6CCOCC6)N	P22607	P11362	6.721246399047171	8.292429823902063	1.5711834248548922	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCOC)N	P22607	P11362	7.585026652029182	8.193820026016112	0.6087933739869307	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCc6ccncc6)N	P22607	P11362	7.7447274948966935	8.070581074285707	0.3258535793890136	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5OC(C)C)N	P22607	P11362	5.886056647693163	7.040958607678906	1.154901959985743	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccn5)N	P22607	P11362	6.823908740944319	7.376750709602099	0.5528419686577806	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cc(cc5[nH]4)C(C)(C)C)C(C)(C)C)N	P22607	P11362	7.026872146400302	7.468521082957745	0.441648936557443	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C#C)N	P22607	P11362	6.494850021680094	7.113509274827518	0.618659253147424	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C(C)C)N	P22607	P11362	6.721246399047171	7.050609993355087	0.3293635943079156	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)Br)F)N	P22607	P11362	6.301029995663981	7.508638306165727	1.2076083105017457	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)C6CCN(CC6)C(C)C)N	P22607	P11362	7.113509274827518	7.4089353929735005	0.29542611814598274	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)F)N	P22607	P11362	6.7447274948966935	7.221848749616356	0.4771212547196626	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)F)C6CCNCC6)N	P22607	P11362	7.167491087293763	7.481486060122113	0.31399497282834954	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OC)Cl)N	P22607	P11362	7.5376020021010435	8.259637310505756	0.7220353084047124	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OCC6CC6)Cl)N	P22607	P11362	7.045757490560675	7.2076083105017466	0.16185081994107176	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CC(OC(C6)C)C)N	P22607	P11362	6.055517327849832	6.6777807052660805	0.6222633774162487	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCC(C6)F)N	P22607	P11362	5.3979400086720375	5.552841968657781	0.15490195998574308	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCCC(C6)(F)F)N	P22607	P11362	8.508638306165727	7.522878745280337	0.9857595608853895	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCN(CC6)C)N	P22607	P11362	7.455931955649724	8.698970004336019	1.2430380486862944	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCOCC6)N	P22607	P11362	8.0	8.42021640338319	0.4202164033831899	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)NCC(F)(F)F)N	P22607	P11362	6.6777807052660805	7.00436480540245	0.32658410013636985	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)O)N	P22607	P11362	8.075720713938118	8.522878745280337	0.44715803134221943	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(C)(C)C)N	P22607	P11362	6.022276394711152	6.823908740944319	0.8016323462331663	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(F)(F)F)N	P22607	P11362	6.481486060122113	7.036212172654444	0.5547261125323315	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=C(CCC=C6)C(F)(F)F)N	P22607	P11362	6.236572006437063	6.585026652029182	0.3484546455921187	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=CCNCC6)N	P22607	P11362	7.823908740944319	7.366531544420414	0.45737719652390485	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C(C)C)N	P22607	P11362	7.187086643357144	7.958607314841775	0.7715206714846303	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C7CCCC7)N	P22607	P11362	7.3872161432802645	7.958607314841775	0.5713911715615101	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6C(CCC6C)C)N	P22607	P11362	7.920818753952375	9.494850021680094	1.5740312677277188	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC(C6)F)N	P22607	P11362	7.522878745280337	9.173925197299173	1.6510464520188357	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC6)N	P22607	P11362	8.0	8.853871964321762	0.8538719643217618	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)C)N	P22607	P11362	7.920818753952375	8.795880017344075	0.8750612633917001	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCNCC6)N	P22607	P11362	6.886056647693163	7.180456064458132	0.2943994167649686	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Cc6ccccc6)N	P22607	P11362	6.7447274948966935	7.292429823902063	0.5477023290053697	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCC6CC6)N	P22607	P11362	6.431798275933005	7.619788758288394	1.1879904823553886	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCCOC)N	P22607	P11362	7.346787486224656	7.7447274948966935	0.3979400086720375	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Oc6ccccc6)N	P22607	P11362	6.42021640338319	6.920818753952375	0.500602350569185	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)SC(F)(F)F)N	P22607	P11362	6.431798275933005	6.853871964321762	0.4220736883887568	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6ccc(nc6)O)N	P22607	P11362	6.853871964321762	7.443697499232713	0.5898255349109514	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6cccnc6)N	P22607	P11362	6.795880017344075	7.318758762624412	0.5228787452803374	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)n6ccnc6)N	P22607	P11362	6.958607314841775	7.508638306165727	0.5500309913239523	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OC(O6)(F)F)N	P22607	P11362	6.173925197299173	7.2441251443275085	1.0701999470283354	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OCCO6)N	P22607	P11362	7.0	7.42021640338319	0.4202164033831899	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Br)N	P22607	P11362	6.958607314841775	7.522878745280337	0.5642714304385628	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CC6)N	P22607	P11362	7.086186147616283	7.346787486224656	0.26060133860837276	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CCN(CC6)C)N	P22607	P11362	7.7447274948966935	8.161150909262744	0.4164234143660508	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN(C)CC#C)N	P22607	P11362	7.154901959985743	7.769551078621726	0.6146491186359828	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)(F)F)N	P22607	P11362	6.886056647693163	8.537602002101044	1.6515453544078813	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)O)N	P22607	P11362	7.886056647693163	8.275724130399212	0.3896674827060487	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCN(CC6)C(=O)C)N	P22607	P11362	8.920818753952375	8.744727494896694	0.17609125905568135	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCNCC6)N	P22607	P11362	7.42021640338319	7.552841968657781	0.13262556527459068	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6)N	P22607	P11362	8.455931955649724	8.853871964321762	0.3979400086720375	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6C)N	P22607	P11362	8.267606240177031	8.568636235841012	0.30102999566398125	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CO)N	P22607	P11362	7.113509274827518	7.823908740944319	0.7103994661168009	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Cl)N	P22607	P11362	6.431798275933005	7.040958607678906	0.6091603317459011	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)I)N	P22607	P11362	6.6777807052660805	7.795880017344075	1.1180993120779945	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)N6CCOCC6)N	P22607	P11362	8.795880017344075	8.602059991327963	0.19382002601611248	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)NS(=O)(=O)C)N	P22607	P11362	7.366531544420414	7.6020599913279625	0.2355284469075487	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)O)N	P22607	P11362	6.920818753952375	7.568636235841013	0.6478174818886382	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC)N	P22607	P11362	7.102372908709558	7.318758762624412	0.2163858539148542	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6CCOCC6)N	P22607	P11362	8.173925197299173	8.522878745280337	0.3489535479811643	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6COC6)N	P22607	P11362	7.045757490560675	7.6777807052660805	0.6320232147054057	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCC6(COC6)C)N	P22607	P11362	8.431798275933005	9.09151498112135	0.6597167051883446	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCN(CC6)C)N	P22607	P11362	7.337242168318426	8.0	0.6627578316815743	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCOCC6)N	P22607	P11362	8.267606240177031	8.568636235841012	0.30102999566398125	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCc6ccccc6)N	P22607	P11362	6.6020599913279625	7.337242168318426	0.7351821769904632	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)S(=O)(=O)C)N	P22607	P11362	7.167491087293763	7.251811972993799	0.08432088570003593	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)SC)N	P22607	P11362	7.113509274827518	7.481486060122113	0.3679767852945952	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6)S(=O)(=O)C)N	P22607	P11362	7.0655015487564325	7.366531544420414	0.30102999566398125	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6OC)Cl)N	P22607	P11362	6.585026652029182	7.275724130399211	0.690697478370029	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cc6)F)N	P22607	P11362	6.443697499232713	7.376750709602099	0.933053210369386	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)C(F)(F)F)N	P22607	P11362	6.455931955649724	7.031517051446065	0.5755850957963409	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)F)N	P22607	P11362	7.026872146400302	7.657577319177793	0.6307051727774917	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(nc6)N7CCOCC7)N	P22607	P11362	7.086186147616283	7.5376020021010435	0.4514158544847602	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccc(c6)C(F)(F)F)N	P22607	P11362	4.301029995663981	6.337242168318426	2.0362121726544444	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6)N	P22607	P11362	6.638272163982407	7.301029995663981	0.6627578316815743	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6OC)N	P22607	P11362	6.096910013008056	7.119186407719209	1.0222763947111524	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnc6OC)N	P22607	P11362	6.886056647693163	7.221848749616356	0.3357921019231931	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnn6)N	P22607	P11362	7.568636235841013	7.7447274948966935	0.17609125905568046	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccs6)N	P22607	P11362	6.455931955649724	7.443697499232713	0.9877655435829888	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cnn(c6)C)N	P22607	P11362	7.221848749616356	7.638272163982407	0.4164234143660508	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc(cc4)F)N	P22607	P11362	6.494850021680094	7.022276394711152	0.5274263730310587	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc5cc[nH]c5c4)N	P22607	P11362	5.102372908709558	5.443697499232713	0.341324590523155	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc[nH]4)N	P22607	P11362	5.259637310505756	6.008773924307505	0.749136613801749	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cccc(c4)Cl)N	P22607	P11362	6.638272163982407	7.113509274827518	0.4752371108451108	Same Family
[P11362, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4nc5ccccc5s4)N	P22607	P11362	7.086186147616283	7.42021640338319	0.3340302557669066	Same Family
[P11362, P22607]	Cc1cc(c2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C)C	P22607	P11362	6.853871964321762	7.522878745280337	0.6690067809585756	Same Family
[P11362, P22607]	Cc1ccc(c(c1)C)c2[nH]c3c(n2)c(nc(n3)NC(=O)C)O	P22607	P11362	4.708187312532881	5.018181392829336	0.30999408029645537	Same Family
[P11362, P22607]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P22607	P11362	7.978810700930062	8.744727494896694	0.7659167939666318	Same Family
[P11362, P22607]	Cc1ccc(cn1)c2ccc3cc([nH]c3c2)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C	P22607	P11362	6.6777807052660805	7.275724130399211	0.5979434251331304	Same Family
[P11362, P22607]	Cc1cccc2c1cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P11362	6.823908740944319	7.366531544420414	0.5426228034760952	Same Family
[P11362, P22607]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P22607	P11362	7.301029995663981	7.187086643357144	0.11394335230683694	Same Family
[P11362, P22607]	c1cc2c(c(c1)Br)c(c[nH]2)c3[nH]c4c(n3)c(nc(n4)N)O	P22607	P11362	4.702677285794698	5.315154638355588	0.61247735256089	Same Family
[P11362, P22607]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P22607	P11362	7.6020599913279625	7.920818753952375	0.3187587626244124	Same Family
[P11362, P22607]	c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)n4c(c(cn4)C(=O)c5cc6ccccc6[nH]5)N	P22607	P11362	6.036212172654444	7.086186147616283	1.0499739749618389	Same Family
[P11362, P22607]	c1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C(F)(F)F	P22607	P11362	6.552841968657781	7.619788758288394	1.066946789630613	Same Family
[P22455, P22607]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)N)c3c(cccc3Cl)Cl	P22607	P22455	6.537602002101044	6.251811972993799	0.28579002910724505	Same Family
[P22455, P22607]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P22607	P22455	8.698970004336019	8.214670164989233	0.4842998393467859	Same Family
[P22455, P22607]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P22607	P22455	7.8970190884701825	6.828858848971618	1.0681602394985648	Same Family
[P22455, P22607]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P22607	P22455	6.966576244513051	6.214670164989233	0.7519060795238177	Same Family
[P22455, P22607]	CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(n3)c(c(cn4)Cl)N5CCN(CC5)CC(=O)Nc6nccs6	P22607	P22455	7.423855827808472	7.292513326014591	0.13134250179388118	Same Family
[P22455, P22607]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P22607	P22455	8.301029995663981	7.278189384787454	1.0228406108765276	Same Family
[P22455, P22607]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P22607	P22455	6.366531544420414	6.022276394711152	0.3442551497092614	Same Family
[P22455, P22607]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P22607	P22455	7.978810700930062	7.468521082957745	0.5102896179723171	Same Family
[P22455, P22607]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P22607	P22455	5.301029995663981	5.356547323513812	0.05551732784983088	Same Family
[P22455, P22607]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P22607	P22455	5.309803919971486	5.275724130399211	0.03407978957227531	Same Family
[P22455, P22607]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P22607	P22455	5.4089353929735005	5.229147988357856	0.17978740461564424	Same Family
[P22455, P22607]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P22607	P22455	5.022276394711152	5.036212172654444	0.013935777943292038	Same Family
[P21802, P22607]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3c(ccc4)Br	P22607	P21802	4.7361273231347765	5.211831628858833	0.4757043057240562	Same Family
[P21802, P22607]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3cccc4	P22607	P21802	4.706858516549069	5.1180450286604	0.41118651211133095	Same Family
[P21802, P22607]	CC(C)(C#CC(=O)N1CCC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC)O	P22607	P21802	9.301029995663981	8.698970004336019	0.6020599913279625	Same Family
[P21802, P22607]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)N)c3c(cccc3Cl)Cl	P22607	P21802	6.537602002101044	6.886056647693163	0.3484546455921187	Same Family
[P21802, P22607]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P22607	P21802	8.698970004336019	8.698970004336019	0.0	Same Family
[P21802, P22607]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P22607	P21802	7.8970190884701825	8.494299370037627	0.5972802815674445	Same Family
[P21802, P22607]	CCCCOc1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P21802	6.795880017344075	7.920818753952375	1.1249387366083	Same Family
[P21802, P22607]	CCCCc1ccc2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P21802	6.3979400086720375	6.698970004336019	0.30102999566398125	Same Family
[P21802, P22607]	CCc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P22607	P21802	7.102372908709558	7.187086643357144	0.08471373464758614	Same Family
[P21802, P22607]	CN(C)CC=CC(=O)N1CC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC	P22607	P21802	9.154901959985743	8.91195437047216	0.24294758951358375	Same Family
[P21802, P22607]	CN1CCC(CC1)c2ccc3c(c2)cc([nH]3)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C(F)F	P22607	P21802	6.886056647693163	6.958607314841775	0.07255066714861158	Same Family
[P21802, P22607]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P22607	P21802	6.966576244513051	7.431798275933005	0.46522203141995444	Same Family
[P21802, P22607]	CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(n3)c(c(cn4)Cl)N5CCN(CC5)CC(=O)Nc6nccs6	P22607	P21802	7.423855827808472	7.449814727441218	0.025958899632746224	Same Family
[P21802, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C#C)N	P22607	P21802	9.698970004336019	8.958607314841775	0.7403626894942441	Same Family
[P21802, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N	P22607	P21802	9.301029995663981	8.789198036565084	0.5118319590988971	Same Family
[P21802, P22607]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CN(C4)C(=O)C=C)N	P22607	P21802	9.522878745280337	8.958607314841775	0.5642714304385628	Same Family
[P21802, P22607]	COc1cc(cc(c1)OC)C#Cc2cn(c3c2c(ncn3)N)C4CN(C4)C(=O)C=CCN5CCC(C5)O	P22607	P21802	9.154901959985743	9.0	0.15490195998574308	Same Family
[P21802, P22607]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P22607	P21802	8.301029995663981	9.397940008672037	1.0969100130080562	Same Family
[P21802, P22607]	Cc1[nH]c2c(n1)C=C(CC2)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)S(=O)(=O)C)N	P22607	P21802	7.443697499232713	7.958607314841775	0.5149098156090615	Same Family
[P21802, P22607]	Cc1[nH]c2cc(cc(c2n1)F)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P22607	P21802	6.443697499232713	7.795880017344075	1.3521825181113618	Same Family
[P21802, P22607]	Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4c(c5ccccc5[nH]4)F)N	P22607	P21802	6.42021640338319	7.3979400086720375	0.9777236052888476	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)N3C(C(C=N3)C(=O)c4cc5ccc(cc5[nH]4)CN(CCOC)CCOC)N	P22607	P21802	7.468521082957745	7.638272163982407	0.1697510810246623	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=C(C=CC5N4)C(=O)N6CCC(C6)(F)F)N	P22607	P21802	6.585026652029182	6.657577319177793	0.07255066714861158	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC(=CC5N4)C#N)N	P22607	P21802	7.494850021680094	8.207608310501746	0.7127582888216519	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC=CC5N4)N	P22607	P21802	7.7447274948966935	7.638272163982407	0.1064553309142866	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)Br)Br)N	P22607	P21802	5.853871964321762	7.180456064458132	1.3265841001363698	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)c5cccnc5)c6cccnc6)N	P22607	P21802	5.7447274948966935	6.405607449624573	0.6608799547278794	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)Br)N	P22607	P21802	5.6777807052660805	6.585026652029182	0.9072459467631013	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5ccc(cc5)OC)N	P22607	P21802	5.497572880015567	6.7447274948966935	1.2471546148811266	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5cccc(c5)F)N	P22607	P21802	5.008773924307505	7.173925197299173	2.165151272991668	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5=CC(C(C=c5[nH]4)CN6CCOCC6)F)N	P22607	P21802	7.721246399047171	8.443697499232712	0.7224511001855412	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5F)Br)N	P22607	P21802	6.823908740944319	7.585026652029182	0.7611179110848632	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5OC)OC)N	P22607	P21802	7.096910013008056	7.823908740944319	0.7269987279362624	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5F)N	P22607	P21802	6.721246399047171	7.552841968657781	0.8315955696106094	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NC(CO)CO)N	P22607	P21802	8.2518119729938	8.221848749616356	0.02996322337744317	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCN6CCOCC6)N	P22607	P21802	6.721246399047171	7.585026652029182	0.8637802529820107	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCOC)N	P22607	P21802	7.585026652029182	7.721246399047171	0.13621974701798933	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCc6ccncc6)N	P22607	P21802	7.7447274948966935	7.5376020021010435	0.20712549279565007	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5OC(C)C)N	P22607	P21802	5.886056647693163	7.585026652029182	1.6989700043360187	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccn5)N	P22607	P21802	6.823908740944319	7.585026652029182	0.7611179110848632	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cc(cc5[nH]4)C(C)(C)C)C(C)(C)C)N	P22607	P21802	7.026872146400302	8.259637310505756	1.2327651641054542	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C#C)N	P22607	P21802	6.494850021680094	7.657577319177793	1.1627272974976997	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C(C)C)N	P22607	P21802	6.721246399047171	7.376750709602099	0.6555043105549281	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)Br)F)N	P22607	P21802	6.301029995663981	8.070581074285707	1.769551078621726	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)C6CCN(CC6)C(C)C)N	P22607	P21802	7.113509274827518	7.7447274948966935	0.6312182200691758	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)F)N	P22607	P21802	6.7447274948966935	7.5376020021010435	0.7928745072043499	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)F)C6CCNCC6)N	P22607	P21802	7.167491087293763	7.42021640338319	0.2527253160894265	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OC)Cl)N	P22607	P21802	7.5376020021010435	8.397940008672037	0.860338006570994	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OCC6CC6)Cl)N	P22607	P21802	7.045757490560675	7.853871964321762	0.808114473761087	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CC(OC(C6)C)C)N	P22607	P21802	6.055517327849832	6.455931955649724	0.40041462779989256	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCC(C6)F)N	P22607	P21802	5.3979400086720375	6.269217724333611	0.8712777156615736	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCCC(C6)(F)F)N	P22607	P21802	8.508638306165727	8.267606240177031	0.24103206598869598	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCN(CC6)C)N	P22607	P21802	7.455931955649724	7.920818753952375	0.46488679830265056	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCOCC6)N	P22607	P21802	8.0	8.040958607678906	0.040958607678906134	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)NCC(F)(F)F)N	P22607	P21802	6.6777807052660805	7.6777807052660805	1.0	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)O)N	P22607	P21802	8.075720713938118	8.0	0.07572071393811797	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(C)(C)C)N	P22607	P21802	6.022276394711152	7.251811972993799	1.229535578282647	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(F)(F)F)N	P22607	P21802	6.481486060122113	7.431798275933005	0.9503122158108921	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=C(CCC=C6)C(F)(F)F)N	P22607	P21802	6.236572006437063	7.0655015487564325	0.8289295423193694	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=CCNCC6)N	P22607	P21802	7.823908740944319	7.4089353929735005	0.4149733479708182	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C(C)C)N	P22607	P21802	7.187086643357144	7.769551078621726	0.5824644352645816	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C7CCCC7)N	P22607	P21802	7.3872161432802645	7.920818753952375	0.5336026106721103	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6C(CCC6C)C)N	P22607	P21802	7.920818753952375	7.920818753952375	0.0	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC(C6)F)N	P22607	P21802	7.522878745280337	8.070581074285707	0.5477023290053697	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC6)N	P22607	P21802	8.0	8.337242168318426	0.3372421683184257	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)C)N	P22607	P21802	7.920818753952375	8.318758762624412	0.3979400086720375	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCNCC6)N	P22607	P21802	6.886056647693163	7.42021640338319	0.5341597556900268	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Cc6ccccc6)N	P22607	P21802	6.7447274948966935	7.468521082957745	0.7237935880610511	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCC6CC6)N	P22607	P21802	6.431798275933005	8.080921907623926	1.6491236316909212	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCCOC)N	P22607	P21802	7.346787486224656	7.920818753952375	0.5740312677277188	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Oc6ccccc6)N	P22607	P21802	6.42021640338319	6.958607314841775	0.5383909114585848	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)SC(F)(F)F)N	P22607	P21802	6.431798275933005	7.107905397309519	0.6761071213765142	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6ccc(nc6)O)N	P22607	P21802	6.853871964321762	7.508638306165727	0.6547663418439651	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6cccnc6)N	P22607	P21802	6.795880017344075	7.4089353929735005	0.6130553756294255	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)n6ccnc6)N	P22607	P21802	6.958607314841775	7.698970004336019	0.7403626894942441	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OC(O6)(F)F)N	P22607	P21802	6.173925197299173	7.853871964321762	1.6799467670225887	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OCCO6)N	P22607	P21802	7.0	8.119186407719209	1.1191864077192086	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Br)N	P22607	P21802	6.958607314841775	8.050609993355087	1.0920026785133121	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CC6)N	P22607	P21802	7.086186147616283	7.6777807052660805	0.5915945576497972	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CCN(CC6)C)N	P22607	P21802	7.7447274948966935	8.075720713938118	0.3309932190414244	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN(C)CC#C)N	P22607	P21802	7.154901959985743	7.769551078621726	0.6146491186359828	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)(F)F)N	P22607	P21802	6.886056647693163	8.0268721464003	1.1408154987071377	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)O)N	P22607	P21802	7.886056647693163	8.259637310505756	0.37358066281259283	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCN(CC6)C(=O)C)N	P22607	P21802	8.920818753952375	8.200659450546418	0.720159303405957	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCNCC6)N	P22607	P21802	7.42021640338319	8.2518119729938	0.8315955696106094	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6)N	P22607	P21802	8.455931955649724	8.468521082957745	0.01258912730802031	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6C)N	P22607	P21802	8.267606240177031	8.366531544420413	0.09892530424338197	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CO)N	P22607	P21802	7.113509274827518	7.638272163982407	0.5247628891548892	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Cl)N	P22607	P21802	6.431798275933005	7.2441251443275085	0.8123268683945035	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)I)N	P22607	P21802	6.6777807052660805	8.065501548756432	1.3877208434903512	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)N6CCOCC6)N	P22607	P21802	8.795880017344075	8.397940008672037	0.3979400086720375	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)NS(=O)(=O)C)N	P22607	P21802	7.366531544420414	7.318758762624412	0.04777278179600142	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)O)N	P22607	P21802	6.920818753952375	7.7447274948966935	0.8239087409443187	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC)N	P22607	P21802	7.102372908709558	7.6777807052660805	0.5754077965565223	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6CCOCC6)N	P22607	P21802	8.173925197299173	8.366531544420413	0.1926063471212398	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6COC6)N	P22607	P21802	7.045757490560675	7.698970004336019	0.653212513775344	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCC6(COC6)C)N	P22607	P21802	8.431798275933005	7.920818753952375	0.5109795219806301	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCN(CC6)C)N	P22607	P21802	7.337242168318426	7.823908740944319	0.48666657262589297	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCOCC6)N	P22607	P21802	8.267606240177031	8.494850021680094	0.2272437815030628	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCc6ccccc6)N	P22607	P21802	6.6020599913279625	7.795880017344075	1.1938200260161125	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)S(=O)(=O)C)N	P22607	P21802	7.167491087293763	7.6777807052660805	0.5102896179723171	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)SC)N	P22607	P21802	7.113509274827518	7.698970004336019	0.585460729508501	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6)S(=O)(=O)C)N	P22607	P21802	7.0655015487564325	7.657577319177793	0.5920757704213608	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6OC)Cl)N	P22607	P21802	6.585026652029182	7.552841968657781	0.9678153166285988	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cc6)F)N	P22607	P21802	6.443697499232713	7.508638306165727	1.0649408069330137	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)C(F)(F)F)N	P22607	P21802	6.455931955649724	7.721246399047171	1.2653144433974468	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)F)N	P22607	P21802	7.026872146400302	8.259637310505756	1.2327651641054542	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(nc6)N7CCOCC7)N	P22607	P21802	7.086186147616283	7.6020599913279625	0.5158738437116792	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccc(c6)C(F)(F)F)N	P22607	P21802	4.301029995663981	7.1938200260161125	2.8927900303521312	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6)N	P22607	P21802	6.638272163982407	7.585026652029182	0.9467544880467749	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6OC)N	P22607	P21802	6.096910013008056	7.443697499232713	1.346787486224657	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnc6OC)N	P22607	P21802	6.886056647693163	7.568636235841013	0.68257958814785	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnn6)N	P22607	P21802	7.568636235841013	8.0	0.4313637641589869	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccs6)N	P22607	P21802	6.455931955649724	8.0	1.5440680443502757	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cnn(c6)C)N	P22607	P21802	7.221848749616356	7.795880017344075	0.5740312677277188	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc(cc4)F)N	P22607	P21802	6.494850021680094	7.3979400086720375	0.9030899869919438	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc5cc[nH]c5c4)N	P22607	P21802	5.102372908709558	5.721246399047171	0.618873490337613	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc[nH]4)N	P22607	P21802	5.259637310505756	6.292429823902063	1.0327925133963074	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cccc(c4)Cl)N	P22607	P21802	6.638272163982407	7.494850021680094	0.8565778576976868	Same Family
[P21802, P22607]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4nc5ccccc5s4)N	P22607	P21802	7.086186147616283	7.657577319177793	0.5713911715615101	Same Family
[P21802, P22607]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P22607	P21802	6.366531544420414	6.585026652029182	0.218495107608768	Same Family
[P21802, P22607]	Cc1cc(c2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C)C	P22607	P21802	6.853871964321762	7.823908740944319	0.9700367766225568	Same Family
[P21802, P22607]	Cc1ccc(c(c1)C)c2[nH]c3c(n2)c(nc(n3)NC(=O)C)O	P22607	P21802	4.708187312532881	5.039529222465701	0.33134190993281987	Same Family
[P21802, P22607]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P22607	P21802	7.978810700930062	8.823908740944319	0.8450980400142569	Same Family
[P21802, P22607]	Cc1ccc(cn1)c2ccc3cc([nH]c3c2)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C	P22607	P21802	6.6777807052660805	7.769551078621726	1.0917703733556454	Same Family
[P21802, P22607]	Cc1cccc2c1cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P22607	P21802	6.823908740944319	7.6777807052660805	0.8538719643217618	Same Family
[P21802, P22607]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P22607	P21802	7.301029995663981	7.4089353929735005	0.1079053973095192	Same Family
[P21802, P22607]	c1cc2c(c(c1)Br)c(c[nH]2)c3[nH]c4c(n3)c(nc(n4)N)O	P22607	P21802	4.702677285794698	5.039529222465701	0.3368519366710032	Same Family
[P21802, P22607]	c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)n4c(c(cn4)C(=O)c5cc6ccccc6[nH]5)N	P22607	P21802	6.036212172654444	6.494850021680094	0.4586378490256493	Same Family
[P21802, P22607]	c1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C(F)(F)F	P22607	P21802	6.552841968657781	6.698970004336019	0.14612803567823818	Same Family
[P35968, P43403]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	P43403	7.403512866263456	7.058041583469186	0.34547128279426964	Different Family
[P35968, P43403]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P43403	5.107905397309519	4.6020599913279625	0.5058454059815567	Different Family
[P35968, P43403]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	P35968	P43403	5.4089353929735005	4.546681659952962	0.8622537330205384	Different Family
[P35968, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P35968	P43403	6.71681189828049	4.268814292366	2.44799760591449	Different Family
[P35968, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P35968	P43403	6.0	4.134185619832032	1.8658143801679676	Different Family
[P35968, P43403]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	P35968	P43403	6.185086818724926	3.0018278780605594	3.1832589406643668	Different Family
[P35968, P43403]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P43403	5.375717904164332	5.013228265733755	0.3624896384305769	Different Family
[P35968, P43403]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	P43403	6.853871964321762	6.431798275933005	0.4220736883887568	Different Family
[P35968, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P43403	5.301029995663981	5.259637310505756	0.04139268515822536	Different Family
[P35968, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P43403	6.0	5.2839966563652006	0.7160033436347994	Different Family
[P35968, P43403]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P43403	5.3872161432802645	5.1938200260161125	0.19339611726415207	Different Family
[P04629, P35968]	CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P35968	P04629	6.017728766960432	7.920818753952375	1.9030899869919429	Different Family
[P04629, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4ccc(cc4)S(=O)(=O)C	P35968	P04629	5.318758762624412	7.036212172654444	1.717453410030032	Different Family
[P04629, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2cccc(c2)Oc3cncc(n3)c4cnn(c4)C	P35968	P04629	5.853871964321762	7.619788758288394	1.7659167939666318	Different Family
[P04629, P35968]	CC(C)(C)c1cc(on1)NC(=O)Nc2ccc(cc2)c3cncc(n3)c4cnn(c4)C	P35968	P04629	6.0	8.301029995663981	2.3010299956639813	Different Family
[P04629, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	P04629	8.397940008672037	8.522878745280337	0.1249387366082999	Different Family
[P04629, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35968	P04629	7.657577319177793	7.455931955649724	0.20164536352806905	Different Family
[P04629, P35968]	CC1(CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C1(O2)C)c8c5C(=O)NC8)O	P35968	P04629	7.538896861280492	8.110924374808178	0.5720275135276864	Different Family
[P04629, P35968]	CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)N)O	P35968	P04629	7.045757490560675	7.5376020021010435	0.4918445115403687	Different Family
[P04629, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	P04629	6.039338878208089	7.7447274948966935	1.7053886166886043	Different Family
[P04629, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35968	P04629	6.364516253185088	7.522878745280337	1.1583624920952493	Different Family
[P04629, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P04629	5.107905397309519	5.080921907623926	0.026983489685592943	Different Family
[P04629, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	P04629	5.701146923590294	5.841637507904751	0.14049058431445705	Different Family
[P04629, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P35968	P04629	4.920818753952375	5.174573882232177	0.25375512827980184	Different Family
[P04629, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P35968	P04629	5.795880017344075	5.838631997765025	0.04275198042094974	Different Family
[P04629, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P04629	5.688246138944246	5.429457060118103	0.2587890788261431	Different Family
[P04629, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	P04629	5.480172006224281	5.605548319173784	0.1253763129495029	Different Family
[P04629, P35968]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P35968	P04629	5.379343520180379	5.896196279044043	0.5168527588636636	Different Family
[P04629, P35968]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	P04629	5.053547734986927	5.028724151261895	0.02482358372503235	Different Family
[P04629, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P04629	5.375717904164332	5.56431486205837	0.1885969578940383	Different Family
[P04629, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35968	P04629	7.356547323513813	7.337242168318426	0.019305155195387336	Different Family
[P04629, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P35968	P04629	4.875821944525325	5.009217308196862	0.13339536367153748	Different Family
[P04629, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P35968	P04629	4.796967112985289	5.112945621949043	0.3159785089637541	Different Family
[P04629, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P04629	5.301029995663981	8.306939584650792	3.0059095889868104	Different Family
[P04629, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P04629	6.0	9.0	3.0	Different Family
[P04629, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P35968	P04629	5.928117992693875	5.728158393463501	0.19995959923037354	Different Family
[P04629, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P04629	5.3872161432802645	6.070581074285707	0.6833649310054426	Different Family
[P04629, P35968]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	P04629	4.95663772197887	5.108462542327436	0.15182482034856548	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	P04629	5.958607314841775	5.235823867609669	0.7227834472321053	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCOCC5	P35968	P04629	4.795880017344075	4.862013267276469	0.06613324993239367	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P35968	P04629	5.686132779630847	5.465973893943865	0.22015888568698205	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P04629	4.768020973168496	5.0343280287798935	0.26630705561139756	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P04629	5.806875401645538	5.490797477668897	0.3160779239766409	Different Family
[P04629, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	P04629	5.213248577854439	5.274088367704952	0.06083978985051264	Different Family
[P04629, P35968]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	P35968	P04629	6.382999658879101	6.809668301829708	0.4266686429506068	Different Family
[P04629, P35968]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	P35968	P04629	6.958607314841775	6.790484985457369	0.1681223293844054	Different Family
[P04629, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	P04629	5.187086643357144	8.522878745280337	3.335792101923193	Different Family
[P23458, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	P23458	6.039338878208089	5.886056647693163	0.15328223051492618	Different Family
[P23458, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P35968	P23458	7.926935982160881	5.481486060122113	2.445449922038768	Different Family
[P23458, P35968]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P35968	P23458	5.4089353929735005	5.136677139879544	0.27225825309395635	Different Family
[P23458, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	P23458	7.403512866263456	8.769551078621726	1.3660382123582702	Different Family
[P23458, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P23458	5.375717904164332	5.428291168191312	0.05257326402698048	Different Family
[P23458, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	P23458	8.638272163982407	7.257274868695302	1.3809972952871048	Different Family
[P23458, P35968]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P35968	P23458	5.585026652029182	7.698970004336019	2.113943352306837	Different Family
[P23458, P35968]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P35968	P23458	6.795880017344075	7.045757490560675	0.2498774732165998	Different Family
[P23458, P35968]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P35968	P23458	7.045757490560675	8.522878745280337	1.4771212547196626	Different Family
[P23458, P35968]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P35968	P23458	6.142667503568732	7.3979400086720375	1.2552725051033056	Different Family
[P23458, P35968]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P35968	P23458	5.431798275933005	7.522878745280337	2.0910804693473324	Different Family
[P23458, P35968]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P35968	P23458	6.698970004336019	7.698970004336019	1.0	Different Family
[P23458, P35968]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P35968	P23458	6.040958607678906	8.0	1.9590413923210939	Different Family
[P23458, P35968]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P35968	P23458	5.585026652029182	7.522878745280337	1.9378520932511556	Different Family
[P23458, P35968]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P35968	P23458	6.0	8.397940008672037	2.3979400086720375	Different Family
[P23458, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P23458	6.356547323513812	6.585026652029182	0.22847932851536967	Different Family
[P23458, P35968]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P35968	P23458	6.221848749616356	7.698970004336019	1.4771212547196626	Different Family
[O60674, P35968]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	P35968	O60674	7.920818753952375	6.812479279163537	1.1083394747888375	Different Family
[O60674, P35968]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	P35968	O60674	5.701146923590294	6.1438755557577	0.4427286321674062	Different Family
[O60674, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	O60674	6.039338878208089	6.259637310505756	0.22029843229766666	Different Family
[O60674, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P35968	O60674	7.926935982160881	5.920818753952375	2.006117228208506	Different Family
[O60674, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	O60674	7.403512866263456	9.259637310505756	1.8561244442423002	Different Family
[O60674, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc(ccn3)NC(=O)c4c(cccc4Cl)Cl	P35968	O60674	5.482804102050026	7.356547323513813	1.873743221463787	Different Family
[O60674, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	P35968	O60674	6.6595558851598815	7.017728766960432	0.3581728818005505	Different Family
[O60674, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	P35968	O60674	5.6439741428068775	6.647817481888637	1.0038433390817598	Different Family
[O60674, P35968]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P35968	O60674	6.71681189828049	3.95116991347165	2.76564198480884	Different Family
[O60674, P35968]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P35968	O60674	6.0	3.7894139750948437	2.2105860249051563	Different Family
[O60674, P35968]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	P35968	O60674	6.185086818724926	3.8594919569618202	2.325594861763106	Different Family
[O60674, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	O60674	5.375717904164332	5.940108206919151	0.5643903027548189	Different Family
[O60674, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	O60674	8.638272163982407	6.27083521030723	2.3674369536751767	Different Family
[O60674, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	O60674	6.853871964321762	6.619788758288394	0.23408320603336819	Different Family
[O60674, P35968]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P35968	O60674	5.585026652029182	5.221848749616356	0.36317790241282566	Different Family
[O60674, P35968]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P35968	O60674	6.795880017344075	7.301029995663981	0.5051499783199063	Different Family
[O60674, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35968	O60674	7.356547323513813	6.638272163982407	0.7182751595314061	Different Family
[O60674, P35968]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P35968	O60674	7.045757490560675	8.0	0.9542425094393252	Different Family
[O60674, P35968]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P35968	O60674	6.142667503568732	4.943095148663527	1.1995723549052046	Different Family
[O60674, P35968]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P35968	O60674	5.431798275933005	5.2441251443275085	0.18767313160549648	Different Family
[O60674, P35968]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P35968	O60674	6.698970004336019	7.522878745280337	0.8239087409443187	Different Family
[O60674, P35968]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P35968	O60674	5.585026652029182	7.045757490560675	1.460730838531493	Different Family
[O60674, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	O60674	5.301029995663981	5.251811972993799	0.04921802267018194	Different Family
[O60674, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	O60674	6.0	5.568636235841013	0.4313637641589869	Different Family
[O60674, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	O60674	6.356547323513812	5.958607314841775	0.3979400086720375	Different Family
[O60674, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	O60674	5.3872161432802645	5.327902142064283	0.05931400121598163	Different Family
[O60674, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P35968	O60674	6.718966632752273	5.163422725159351	1.5555439075929218	Different Family
[O60674, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	O60674	5.187086643357144	5.173925197299174	0.013161446057970316	Different Family
[P17252, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P35968	P17252	7.926935982160881	5.173925197299174	2.753010784861707	Different Group
[P17252, P35968]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P35968	P17252	5.585026652029182	5.886056647693163	0.30102999566398125	Different Group
[P17252, P35968]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P35968	P17252	6.795880017344075	5.585026652029182	1.2108533653148932	Different Group
[P17252, P35968]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P35968	P17252	7.045757490560675	5.886056647693163	1.1597008428675117	Different Group
[P17252, P35968]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P35968	P17252	6.142667503568732	5.769551078621726	0.37311642494700603	Different Group
[P17252, P35968]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P35968	P17252	5.431798275933005	5.769551078621726	0.3377528026887209	Different Group
[P17252, P35968]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P35968	P17252	6.698970004336019	5.552841968657781	1.1461280356782382	Different Group
[P17252, P35968]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P35968	P17252	5.585026652029182	4.7447274948966935	0.8402991571324883	Different Group
[P17252, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P17252	6.356547323513812	7.275724130399211	0.9191768068853987	Different Group
[P17252, P35968]	c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4	P35968	P17252	4.040958607678906	3.33161408331	0.7093445243689063	Different Group
[P17252, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P35968	P17252	8.113509274827518	9.008773924307505	0.8952646494799872	Different Group
[P17252, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35968	P17252	5.2247537402597635	4.5718652059712115	0.652888534288552	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P35968	P24941	7.122062572163754	8.460409376976187	1.3383468048124332	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	7.023845995168937	8.460409376976187	1.4365633818072503	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br	P35968	P24941	7.5376020021010435	8.096910013008056	0.5593080109070128	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CCCC3)Br	P35968	P24941	7.080921907623926	7.6020599913279625	0.5211380837040362	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC3CC3)Br	P35968	P24941	7.309803919971486	8.397940008672037	1.0881360887005513	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CCO)Br	P35968	P24941	7.1951494488103	8.397940008672037	1.2027905598617377	Different Group
[P24941, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P35968	P24941	6.795880017344075	7.309803919971486	0.5139239026274112	Different Group
[P24941, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P35968	P24941	6.515525159509329	8.008864383480216	1.493339223970887	Different Group
[P24941, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F	P35968	P24941	6.7447274948966935	7.6777807052660805	0.9330532103693869	Different Group
[P24941, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC#C)C(F)(F)F	P35968	P24941	6.698970004336019	7.366531544420414	0.667561540084395	Different Group
[P24941, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC=C)C(F)(F)F	P35968	P24941	6.337242168318426	7.958607314841775	1.621365146523349	Different Group
[P24941, P35968]	CC(C(C)(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	6.958607314841775	7.958607314841775	1.0	Different Group
[P24941, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P35968	P24941	7.225589510628408	8.460409376976187	1.2348198663477792	Different Group
[P24941, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=NC)(=O)C)Br	P35968	P24941	7.666741009722559	8.309894379144197	0.643153369421638	Different Group
[P24941, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NC)(=O)C)Br	P35968	P24941	7.431798275933005	8.154901959985743	0.7231036840527381	Different Group
[P24941, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P35968	P24941	6.886056647693163	6.886056647693163	0.0	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br)O	P35968	P24941	6.823908740944319	8.096910013008056	1.2730012720637376	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P24941	6.468521082957745	8.0	1.5314789170422554	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CCO)Br)O	P35968	P24941	6.086186147616283	7.267606240177032	1.1814200925607485	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C(F)F)C(F)(F)F)O	P35968	P24941	6.366531544420414	7.920818753952375	1.554287209531961	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P35968	P24941	6.677485467639428	8.247425010840047	1.5699395432006185	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P35968	P24941	6.9387282379656225	8.008864383480216	1.070136145514593	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CCCC3)C(F)(F)F)O	P35968	P24941	6.638272163982407	7.6777807052660805	1.0395085412836735	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CCO)C(F)(F)F)O	P35968	P24941	6.769551078621726	8.522878745280337	1.7533276666586115	Different Group
[P24941, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)c3ccccc3)C(F)(F)F)O	P35968	P24941	6.455931955649724	7.443697499232713	0.9877655435829888	Different Group
[P24941, P35968]	CC(C(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P24941	6.823908740944319	8.096910013008056	1.2730012720637376	Different Group
[P24941, P35968]	CC(C(COC)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P24941	6.495699914119041	8.309894379144197	1.8141944650251558	Different Group
[P24941, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	P24941	5.356547323513812	4.638272163982407	0.7182751595314052	Different Group
[P24941, P35968]	CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)c3ccc(c(c3)OC)OC	P35968	P24941	5.721246399047171	7.301029995663981	1.5797835966168101	Different Group
[P24941, P35968]	CC(C)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	7.154901959985743	7.795880017344075	0.6409780573583319	Different Group
[P24941, P35968]	CC(C)S(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)C(F)(F)F	P35968	P24941	6.769551078621726	8.221848749616356	1.4522976709946303	Different Group
[P24941, P35968]	CC(C)c1c2cc(ncc2[nH]n1)Nc3ccnc(n3)N4CCC(CC4)OC	P35968	P24941	5.649751981665837	6.3223930472795065	0.6726410656136697	Different Group
[P24941, P35968]	CC(C)n1c2cc(ncc2c(n1)N)Nc3ccnc(n3)N4CCC(CC4)OC	P35968	P24941	5.779891911959945	6.275724130399211	0.49583221843926584	Different Group
[P24941, P35968]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	P35968	P24941	7.920818753952375	8.0	0.07918124604762511	Different Group
[P24941, P35968]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	P35968	P24941	5.701146923590294	7.096910013008056	1.3957630894177626	Different Group
[P24941, P35968]	CC(CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)C)Br	P35968	P24941	7.130768280269024	6.4089353929735005	0.7218328872955233	Different Group
[P24941, P35968]	CC(COC)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P35968	P24941	6.3979400086720375	7.920818753952375	1.5228787452803374	Different Group
[P24941, P35968]	CC(CSc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P24941	6.6020599913279625	7.3872161432802645	0.785156151952302	Different Group
[P24941, P35968]	CCC(C(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	6.698970004336019	7.7447274948966935	1.0457574905606748	Different Group
[P24941, P35968]	CCC(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	6.920818753952375	7.481486060122113	0.560667306169738	Different Group
[P24941, P35968]	CCC(CO)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P24941	6.769551078621726	7.795880017344075	1.026328938722349	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P24941	6.853871964321762	8.045757490560675	1.191885526238913	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P24941	7.251811972993799	7.920818753952375	0.6690067809585756	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P24941	6.275724130399211	7.552841968657781	1.2771178382585697	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P35968	P24941	6.958607314841775	7.853871964321762	0.8952646494799872	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P24941	7.2441251443275085	7.318758762624412	0.07463361829690385	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P24941	7.229147988357856	7.107905397309519	0.12124259104833701	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P24941	7.026872146400302	7.376750709602099	0.34987856320179755	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P24941	7.036212172654444	7.958607314841775	0.9223951421873302	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P24941	6.346787486224656	7.292429823902063	0.9456423376774072	Different Group
[P24941, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P35968	P24941	6.823908740944319	7.721246399047171	0.8973376581028525	Different Group
[P24941, P35968]	CCOc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC)Br	P35968	P24941	7.050609993355087	7.200659450546419	0.150049457191332	Different Group
[P24941, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P24941	7.252791279884132	7.829818329931128	0.5770270500469961	Different Group
[P24941, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P24941	7.539938336854638	8.397940008672037	0.8580016718173997	Different Group
[P24941, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P24941	6.511603513962567	8.100329725273209	1.5887262113106422	Different Group
[P24941, P35968]	CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	P35968	P24941	4.679853713888946	5.0	0.3201462861110542	Different Group
[P24941, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35968	P24941	6.364516253185088	6.335358024443875	0.02915822874121332	Different Group
[P24941, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc(ccn3)NC(=O)c4c(cccc4Cl)Cl	P35968	P24941	5.482804102050026	6.298432014944073	0.8156279128940467	Different Group
[P24941, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	P35968	P24941	6.6595558851598815	8.301029995663981	1.6414741105040997	Different Group
[P24941, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	P35968	P24941	5.6439741428068775	7.031517051446065	1.3875429086391877	Different Group
[P24941, P35968]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)nc([nH]4)c5c[nH]nc5	P35968	P24941	5.866461091629782	7.045757490560675	1.1792963989308927	Different Group
[P24941, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	P24941	5.823908740944319	4.698970004336019	1.1249387366083	Different Group
[P24941, P35968]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OC3CCCCC3)C(F)(F)F	P35968	P24941	6.050609993355088	6.318758762624412	0.26814876926932474	Different Group
[P24941, P35968]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC#C)C(F)(F)F	P35968	P24941	6.214670164989233	7.6020599913279625	1.3873898263387296	Different Group
[P24941, P35968]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC=C)C(F)(F)F	P35968	P24941	6.070581074285707	7.309803919971486	1.239222845685779	Different Group
[P24941, P35968]	Cc1c2c(n[nH]1)Nc3cc(c(cc3C(=N2)c4ccccc4Cl)F)OC	P35968	P24941	8.0	5.876148359032914	2.123851640967086	Different Group
[P24941, P35968]	Cc1c2c(n[nH]1)Nc3ccc(cc3C(=N2)c4ccccc4Cl)N	P35968	P24941	7.468521082957745	7.055517327849832	0.4130037551079129	Different Group
[P24941, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P24941	5.375717904164332	5.401209493236885	0.02549158907255311	Different Group
[P24941, P35968]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P24941	7.2820007711024	8.27642098432889	0.9944202132264905	Different Group
[P24941, P35968]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P24941	7.4089353929735005	8.397940008672037	0.989004615698537	Different Group
[P24941, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35968	P24941	4.823908740944319	4.376750709602099	0.44715803134221943	Different Group
[P24941, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P24941	6.356547323513812	6.3872161432802645	0.030668819766452415	Different Group
[P24941, P35968]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35968	P24941	5.366531544420414	5.292429823902063	0.07410172051835051	Different Group
[P24941, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P24941	5.3872161432802645	5.443697499232713	0.05648135595244863	Different Group
[P35968, P53350]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	P53350	6.096910013008056	8.698970004336019	2.6020599913279625	Different Group
[P35968, P53350]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	P53350	5.920818753952375	8.698970004336019	2.778151250383644	Different Group
[P35968, P53350]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P35968	P53350	5.653647025549361	4.0	1.6536470255493612	Different Group
[P35968, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	P53350	5.317854923626168	4.663540266151471	0.6543146574746972	Different Group
[P35968, P53350]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35968	P53350	6.364516253185088	5.455931955649724	0.9085842975353637	Different Group
[P35968, P53350]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	P53350	7.403512866263456	5.434979071654706	1.9685337946087493	Different Group
[P35968, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	P53350	6.494850021680094	5.497572880015567	0.9972771416645267	Different Group
[P35968, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	P53350	6.4089353929735005	5.199970640755866	1.2089647522176348	Different Group
[P35968, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	P53350	5.2247537402597635	4.928117992693875	0.2966357475658885	Different Group
[P35968, P53350]	Cc1c2c(c(sc2[nH]n1)C(=O)N)NC(=O)C(=O)OC	P35968	P53350	4.769551078621726	5.096910013008056	0.32735893438633035	Different Group
[P35968, P53350]	Cc1c2c(c(sc2[nH]n1)C(=O)N)NC(=O)c3ccccc3Cl	P35968	P53350	5.096910013008056	4.638272163982407	0.4586378490256493	Different Group
[P35968, P53350]	Cc1c2cc(sc2[nH]n1)C(=O)NCc3ccccc3	P35968	P53350	4.920818753952375	4.795880017344075	0.1249387366082999	Different Group
[P35968, P53350]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P35968	P53350	5.314258261397736	4.0	1.314258261397736	Different Group
[P35968, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	P53350	6.102372908709558	5.476253533188435	0.6261193755211227	Different Group
[P35968, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	P53350	5.920818753952375	5.4089353929735005	0.5118833609788744	Different Group
[P35968, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	P53350	6.221848749616356	5.1938200260161125	1.0280287236002437	Different Group
[P35968, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	P53350	6.552841968657781	5.2403321553103694	1.3125098133474111	Different Group
[P35968, P53350]	c1ccc(cc1)CCNC(=O)c2cc3c([nH]nc3s2)c4ccccc4	P35968	P53350	5.698970004336019	4.769551078621726	0.9294189257142929	Different Group
[P35968, P53350]	c1ccc(cc1)c2c3cc(sc3n[nH]2)C(=O)NC4CCCCC4	P35968	P53350	6.309803919971486	4.920818753952375	1.3889851660191113	Different Group
[P35968, P53350]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P35968	P53350	5.6020599913279625	4.619788758288394	0.9822712330395689	Different Group
[P35968, P53350]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35968	P53350	5.2247537402597635	4.0	1.2247537402597635	Different Group
[P35968, P53350]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P53350	5.3872161432802645	5.00436480540245	0.3828513378778142	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P35968	P06493	7.122062572163754	8.397940008672037	1.2758774365082832	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	7.023845995168937	8.15051499783199	1.1266690026630535	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br	P35968	P06493	7.5376020021010435	7.853871964321762	0.31626996222071835	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CCCC3)Br	P35968	P06493	7.080921907623926	7.356547323513813	0.27562541588988676	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC3CC3)Br	P35968	P06493	7.309803919971486	8.301029995663981	0.9912260756924951	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CCO)Br	P35968	P06493	7.1951494488103	7.878480975656853	0.683331526846553	Different Group
[P06493, P35968]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P35968	P06493	6.795880017344075	6.795880017344075	0.0	Different Group
[P06493, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P35968	P06493	6.515525159509329	7.770303756120384	1.2547785966110556	Different Group
[P06493, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F	P35968	P06493	6.7447274948966935	7.443697499232713	0.6989700043360196	Different Group
[P06493, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC#C)C(F)(F)F	P35968	P06493	6.698970004336019	7.086186147616283	0.38721614328026455	Different Group
[P06493, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC=C)C(F)(F)F	P35968	P06493	6.337242168318426	7.366531544420414	1.0292893761019881	Different Group
[P06493, P35968]	CC(C(C)(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	6.958607314841775	7.721246399047171	0.7626390842053965	Different Group
[P06493, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P35968	P06493	7.225589510628408	8.610924374808178	1.3853348641797698	Different Group
[P06493, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=NC)(=O)C)Br	P35968	P06493	7.666741009722559	7.989405350465031	0.3226643407424721	Different Group
[P06493, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NC)(=O)C)Br	P35968	P06493	7.431798275933005	7.853871964321762	0.4220736883887568	Different Group
[P06493, P35968]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P35968	P06493	6.886056647693163	6.769551078621726	0.11650556907143717	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br)O	P35968	P06493	6.823908740944319	8.301029995663981	1.4771212547196626	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P06493	6.468521082957745	7.886056647693163	1.4175355647354184	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CCO)Br)O	P35968	P06493	6.086186147616283	6.795880017344075	0.7096938697277917	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C(F)F)C(F)(F)F)O	P35968	P06493	6.366531544420414	7.619788758288394	1.2532572138679798	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P35968	P06493	6.677485467639428	8.221848749616356	1.5443632819769277	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P35968	P06493	6.9387282379656225	7.946395015176066	1.007666777210443	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CCCC3)C(F)(F)F)O	P35968	P06493	6.638272163982407	7.638272163982407	1.0	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CCO)C(F)(F)F)O	P35968	P06493	6.769551078621726	8.522878745280337	1.7533276666586115	Different Group
[P06493, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)c3ccccc3)C(F)(F)F)O	P35968	P06493	6.455931955649724	7.3872161432802645	0.9312841876305402	Different Group
[P06493, P35968]	CC(C(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P06493	6.823908740944319	7.769551078621726	0.9456423376774072	Different Group
[P06493, P35968]	CC(C(COC)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P06493	6.495699914119041	7.763621775341393	1.2679218612223524	Different Group
[P06493, P35968]	CC(C)(C)c1c(cnc(n1)Nc2ccc(cc2)CCO)C#N	P35968	P06493	5.795880017344075	5.958607314841775	0.16272729749769965	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCN(CC4)C)C#N)N	P35968	P06493	7.6777807052660805	5.251811972993799	2.425968732272281	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)C#N)N	P35968	P06493	7.568636235841013	5.3872161432802645	2.1814200925607485	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCO)C#N)N	P35968	P06493	7.2839966563652006	5.795880017344075	1.4881166390211256	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCO)C#N)O	P35968	P06493	6.3872161432802645	5.568636235841013	0.8185799074392515	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)OCCN4CCOCC4)C#N)N	P35968	P06493	6.346787486224656	4.6777807052660805	1.6690067809585756	Different Group
[P06493, P35968]	CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3cccc(c3)CCN4CCOCC4)C#N)N	P35968	P06493	7.259637310505756	5.2441251443275085	2.0155121661782474	Different Group
[P06493, P35968]	CC(C)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	7.154901959985743	6.958607314841775	0.19629464514396844	Different Group
[P06493, P35968]	CC(C)S(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)C(F)(F)F	P35968	P06493	6.769551078621726	7.920818753952375	1.151267675330649	Different Group
[P06493, P35968]	CC(CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=C)(=O)N)Br	P35968	P06493	7.3979400086720375	7.102372908709558	0.2955670999624793	Different Group
[P06493, P35968]	CC(COC)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P35968	P06493	6.3979400086720375	7.292429823902063	0.8944898152300258	Different Group
[P06493, P35968]	CC(CSc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P35968	P06493	6.6020599913279625	7.142667503568732	0.5406075122407694	Different Group
[P06493, P35968]	CCC(C(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	6.698970004336019	7.657577319177793	0.9586073148417746	Different Group
[P06493, P35968]	CCC(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	6.920818753952375	7.013228265733755	0.0924095117813799	Different Group
[P06493, P35968]	CCC(CO)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P35968	P06493	6.769551078621726	7.309803919971486	0.5402528413497603	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P06493	6.853871964321762	7.568636235841013	0.7147642715192513	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P06493	7.251811972993799	7.795880017344075	0.5440680443502757	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P06493	6.275724130399211	6.958607314841775	0.6828831844425638	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P35968	P06493	6.958607314841775	7.6777807052660805	0.7191733904243058	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P06493	7.2441251443275085	7.200659450546419	0.043465693781089776	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P06493	7.229147988357856	7.1249387366083	0.10420925174955631	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P06493	7.026872146400302	7.017728766960432	0.009143379439869648	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P06493	7.036212172654444	7.366531544420414	0.33031937176596937	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P06493	6.346787486224656	6.698970004336019	0.3521825181113627	Different Group
[P06493, P35968]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P35968	P06493	6.823908740944319	7.309803919971486	0.4858951790271675	Different Group
[P06493, P35968]	CCOc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC)Br	P35968	P06493	7.050609993355087	6.698970004336019	0.351639989019068	Different Group
[P06493, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P06493	7.252791279884132	7.537062862175492	0.2842715822913595	Different Group
[P06493, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P06493	7.539938336854638	8.129818655252878	0.5898803183982402	Different Group
[P06493, P35968]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P35968	P06493	6.511603513962567	7.658778693934068	1.1471751799715015	Different Group
[P06493, P35968]	CCc1nccn1CCc2ccc(cc2)Nc3ncc(c(n3)c4ccc(cc4)C(C)(C)N)C#N	P35968	P06493	7.026872146400302	5.318758762624412	1.7081133837758893	Different Group
[P06493, P35968]	COc1cc(ccc1CN2CCCC2)Nc3ncc(c(n3)c4ccccc4)C#N	P35968	P06493	7.040958607678906	5.045757490560675	1.9952011171182313	Different Group
[P06493, P35968]	COc1ccc(cc1)Nc2ncc(c(n2)c3ccccc3)C#N	P35968	P06493	6.309803919971486	5.481486060122113	0.8283178598493732	Different Group
[P06493, P35968]	COc1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCO)C#N	P35968	P06493	6.823908740944319	5.823908740944319	1.0	Different Group
[P06493, P35968]	COc1cccc(c1)Nc2ncc(c(n2)c3ccccc3)C#N	P35968	P06493	6.42021640338319	5.376750709602099	1.0434656937810907	Different Group
[P06493, P35968]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC#C)C(F)(F)F	P35968	P06493	6.214670164989233	6.886056647693163	0.6713864827039302	Different Group
[P06493, P35968]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC=C)C(F)(F)F	P35968	P06493	6.070581074285707	6.552841968657781	0.4822608943720734	Different Group
[P06493, P35968]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P35968	P06493	7.2820007711024	8.180202504080256	0.8982017329778564	Different Group
[P06493, P35968]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P35968	P06493	7.4089353929735005	8.397940008672037	0.989004615698537	Different Group
[P06493, P35968]	Cc1cc2cc(ccc2[nH]1)Nc3ncc(c(n3)c4ccccc4)C#N	P35968	P06493	6.3872161432802645	5.481486060122113	0.9057300831581516	Different Group
[P06493, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P35968	P06493	8.349680610785484	5.008773924307505	3.340906686477979	Different Group
[P06493, P35968]	Cc1ccc(cc1)Nc2ncc(c(n2)c3ccccc3)C#N	P35968	P06493	6.0	5.455931955649724	0.5440680443502757	Different Group
[P06493, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3ccnc(c3)NCCCO	P35968	P06493	6.301029995663981	6.301029995663981	0.0	Different Group
[P06493, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3ccncc3NCCCO	P35968	P06493	6.118615343229427	5.653647025549361	0.4649683176800661	Different Group
[P06493, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3cnc(s3)NCCCO	P35968	P06493	6.149966742310231	5.092588639225414	1.057378103084817	Different Group
[P06493, P35968]	c1cc(ccc1CCO)Nc2ncc(c(n2)c3ccc(cc3)Br)C#N	P35968	P06493	6.7447274948966935	5.698970004336019	1.0457574905606748	Different Group
[P06493, P35968]	c1cc(ccc1CCO)Nc2ncc(c(n2)c3ccc(cc3)S(=O)(=O)N)C#N	P35968	P06493	6.698970004336019	5.721246399047171	0.9777236052888476	Different Group
[P06493, P35968]	c1cc(ccc1CCO)Nc2ncc(c(n2)c3ccc4c(c3)cc[nH]4)C#N	P35968	P06493	7.045757490560675	6.3872161432802645	0.6585413472804102	Different Group
[P06493, P35968]	c1cc(sc1)c2c(cnc(n2)Nc3ccc(cc3)CCO)C#N	P35968	P06493	7.086186147616283	6.327902142064283	0.7582840055520004	Different Group
[P06493, P35968]	c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCC(=O)N4CCOCC4)C#N	P35968	P06493	6.7447274948966935	5.6777807052660805	1.066946789630613	Different Group
[P06493, P35968]	c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C#N	P35968	P06493	6.958607314841775	5.187086643357144	1.7715206714846303	Different Group
[P06493, P35968]	c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCO)C#N	P35968	P06493	6.698970004336019	5.698970004336019	1.0	Different Group
[P06493, P35968]	c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CN4CCCC4)C#N	P35968	P06493	7.214670164989233	5.2076083105017466	2.0070618544874863	Different Group
[P06493, P35968]	c1ccc(cc1)c2c(cnc(n2)Nc3cccc(c3)CN4CCOCC4)C#N	P35968	P06493	6.443697499232713	5.698970004336019	0.7447274948966944	Different Group
[P06493, P35968]	c1ccc2c(c1)cc([nH]2)c3c(cnc(n3)Nc4ccc(cc4)CCO)C#N	P35968	P06493	5.853871964321762	5.769551078621726	0.08432088570003593	Different Group
[P06493, P35968]	c1ccc2c(c1)nc(s2)c3c(cnc(n3)Nc4ccc(cc4)CCO)C#N	P35968	P06493	6.468521082957745	6.251811972993799	0.21670910996394532	Different Group
[P11802, P35968]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P35968	P11802	6.515525159509329	7.363847077798956	0.8483219182896278	Different Group
[P11802, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P35968	P11802	6.677485467639428	7.537860356969059	0.8603748893296306	Different Group
[P11802, P35968]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P35968	P11802	6.9387282379656225	7.49148333035061	0.5527550923849871	Different Group
[P11802, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	P11802	5.356547323513812	4.568636235841013	0.787911087672799	Different Group
[P11802, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	P11802	4.958607314841775	4.522878745280337	0.43572856956143724	Different Group
[P11802, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	P11802	5.823908740944319	4.356547323513813	1.4673614174305056	Different Group
[P11802, P35968]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	P11802	4.886056647693163	4.455931955649724	0.4301246920434387	Different Group
[P11802, P35968]	Cc1c2c(n[nH]1)Nc3ccc(cc3C(=N2)c4ccccc4Cl)N	P35968	P11802	7.468521082957745	6.518557371497695	0.9499637114600494	Different Group
[P11802, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P11802	5.375717904164332	5.3260580013659125	0.04965990279841925	Different Group
[P11802, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35968	P11802	4.823908740944319	4.3979400086720375	0.42596873227228116	Different Group
[P11802, P35968]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35968	P11802	5.366531544420414	5.102372908709558	0.2641586357108556	Different Group
[P11802, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P11802	5.3872161432802645	5.568636235841013	0.18142009256074854	Different Group
[P11362, P35968]	CC(=O)N(CC(=O)N(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	8.096910013008056	7.267606240177032	0.8293037728310244	Different Family
[P11362, P35968]	CC(=O)N(CCCCCO)c1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	5.119186407719209	5.1249387366083	0.005752328889091274	Different Family
[P11362, P35968]	CC(=O)N(CCCCCO)c1cc2c(cn1)CC(C(=N2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	P35968	P11362	4.698970004336019	5.113509274827518	0.41453927049149897	Different Family
[P11362, P35968]	CC(=O)N(CCCCCOCc1ccccc1)c2cc3c(cc(c(n3)NC(=O)NC(C)(C)C)c4cc(cc(c4)OC)OC)cn2	P35968	P11362	6.187086643357144	5.2011524070372435	0.9859342363199008	Different Family
[P11362, P35968]	CC(=O)N(CCCCCOCc1ccccc1)c2cc3c(cn2)CC(C(=N3)NC(=O)NC(C)(C)C)c4cc(cc(c4)OC)OC	P35968	P11362	4.259637310505756	4.698970004336019	0.43933269383026285	Different Family
[P11362, P35968]	CC(=O)N(CCCCO)c1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	4.886056647693163	5.075720713938118	0.1896640662449549	Different Family
[P11362, P35968]	CC(=O)N(CCCCO)c1cc2c(cn1)CC(C(=N2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	P35968	P11362	5.0	5.060480747381382	0.06048074738138176	Different Family
[P11362, P35968]	CC(=O)N(CCCCOCc1ccccc1)c2cc3c(cc(c(n3)NC(=O)NC(C)(C)C)c4cc(cc(c4)OC)OC)cn2	P35968	P11362	6.173925197299173	5.4561092910952285	0.7178159062039446	Different Family
[P11362, P35968]	CC(=O)N(CCCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	8.045757490560675	7.769551078621726	0.2762064119389489	Different Family
[P11362, P35968]	CC(=O)N(CCCO)c1cc2c(cn1)CC(C(=N2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	P35968	P11362	5.180456064458132	5.102372908709558	0.0780831557485735	Different Family
[P11362, P35968]	CC(=O)N(CCCOCc1ccccc1)c2cc3c(cc(c(n3)NC(=O)NC(C)(C)C)c4cc(cc(c4)OC)OC)cn2	P35968	P11362	7.075720713938118	6.152697400533215	0.9230233134049026	Different Family
[P11362, P35968]	CC(=O)N(CCCOCc1ccccc1)c2cc3c(cn2)CC(C(=N3)NC(=O)NC(C)(C)C)c4cc(cc(c4)OC)OC	P35968	P11362	4.823908740944319	5.045757490560675	0.22184874961635614	Different Family
[P11362, P35968]	CC(=O)N(CCN(C)C)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	7.920818753952375	7.7447274948966935	0.17609125905568135	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	8.096910013008056	7.5774509799928715	0.5194590330151847	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCCN3CCOCC3)c4cc(cc(c4)OC)OC	P35968	P11362	8.154901959985743	7.763621775341393	0.39128018464434966	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCCO)c3cc(cc(c3)OC)OC	P35968	P11362	8.221848749616356	7.515758525723033	0.7060902238933231	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	8.522878745280337	7.920818753952375	0.6020599913279625	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCN3CCOCC3)c4cc(cc(c4)OC)OC	P35968	P11362	8.221848749616356	7.83889035263304	0.3829583969833159	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCO)c3cc(cc(c3)OC)OC	P35968	P11362	8.096910013008056	7.690453334686628	0.40645667832142784	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCCOc3ccccc3)c4cc(cc(c4)OC)OC	P35968	P11362	6.7447274948966935	6.271816983435478	0.4729105114612153	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCN(CC3)C)c4c(cccc4Cl)Cl	P35968	P11362	7.853871964321762	7.869964306007462	0.016092341685700617	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	8.301029995663981	7.9604093769761874	0.3406206186877938	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCN(CC3)C)c4ccccc4	P35968	P11362	7.267606240177032	6.7875591816844665	0.48004705849256535	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCOCC3)c4cc(cc(c4)OC)OC	P35968	P11362	8.045757490560675	7.714728530059051	0.3310289605016239	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(cc2n1)NCCCOc3ccccc3)c4cc(cc(c4)OC)OC	P35968	P11362	6.7447274948966935	6.381102503363039	0.3636249915336549	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	7.6777807052660805	7.839926856944473	0.16214615167839241	Different Family
[P11362, P35968]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCCCO)c3cc(cc(c3)OC)OC	P35968	P11362	7.1487416512809245	7.365010161677338	0.21626851039641348	Different Family
[P11362, P35968]	CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2Cl)Oc3c4c(ccn4C)ncn3	P35968	P11362	7.721246399047171	6.585026652029182	1.1362197470179893	Different Family
[P11362, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2Cl)Oc3c4c(ccn4C)ncn3	P35968	P11362	8.050609993355087	6.657577319177793	1.3930326741772934	Different Family
[P11362, P35968]	CC(C)(C)n1cc(cn1)NC(=O)Nc2ccc(cc2Cl)Oc3c4c(ccn4C)ncn3	P35968	P11362	8.119186407719209	6.026872146400302	2.092314261318907	Different Family
[P11362, P35968]	CC(C)Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	7.638272163982407	7.481486060122113	0.156786103860294	Different Family
[P11362, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	P11362	8.397940008672037	7.886056647693163	0.5118833609788744	Different Family
[P11362, P35968]	CC(C)OCc1ccc2c(c1)c3c4c(c-5c(c3n2CCCO)Cc6c5cccc6)C(=O)NC4	P35968	P11362	8.096910013008056	6.790484985457369	1.306425027550687	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)NC(=O)OCC4CCCO4	P35968	P11362	6.9026041211390385	7.337242168318426	0.43463804717938714	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(C)C	P35968	P11362	7.657577319177793	7.4089353929735005	0.24864192620429293	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(F)(F)F	P35968	P11362	7.119186407719209	7.075720713938118	0.043465693781090664	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C(F)(F)S(=O)(=O)C	P35968	P11362	6.8262374200006555	6.657577319177793	0.1686601008228621	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)C5CC5	P35968	P11362	7.958607314841775	7.853871964321762	0.10473535052001282	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)CC(F)(F)F	P35968	P11362	7.5376020021010435	7.167491087293763	0.3701109148072801	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)CC5CC5	P35968	P11362	7.769551078621726	7.568636235841013	0.2009148427807128	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)CN(C)C	P35968	P11362	7.180456064458132	6.826813731587726	0.3536423328704057	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)CS(=O)(=O)C	P35968	P11362	7.795880017344075	7.795880017344075	0.0	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnc(o4)N(C)C	P35968	P11362	7.958607314841775	7.7447274948966935	0.2138798199450811	Different Family
[P11362, P35968]	CC(C)c1c(cn2c1c(ncn2)Nc3cc(c(cc3F)F)C(=O)NOC)c4nnco4	P35968	P11362	7.113509274827518	6.795880017344075	0.31762925748344273	Different Family
[P11362, P35968]	CC(C)c1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P35968	P11362	6.399996913372259	7.199970640755866	0.7999737273836063	Different Family
[P11362, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)C=Cc4cnn(c4)CCO	P35968	P11362	8.236572006437063	9.522878745280337	1.2863067388432743	Different Family
[P11362, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)C6CCN(CC6)C	P35968	P11362	8.10790539730952	9.0	0.8920946026904808	Different Family
[P11362, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)CCO	P35968	P11362	7.8996294548824375	8.643938046084612	0.7443085912021745	Different Family
[P11362, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N(C)C(=O)CN(C)C	P35968	P11362	8.602059991327963	9.397940008672037	0.795880017344075	Different Family
[P11362, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35968	P11362	7.657577319177793	7.301029995663981	0.35654732351381213	Different Family
[P11362, P35968]	CC1CN(CC(N1)C)c2ccc3c(c2)nc([nH]3)c4c5cc(ccc5[nH]n4)OC(C)c6c(cncc6Cl)Cl	P35968	P11362	8.045757490560675	8.853871964321762	0.808114473761087	Different Family
[P11362, P35968]	CCC1CCN(C(C1)Nc2c3ccccc3[nH]c(=O)c2c4[nH]c5ccccc5n4)C	P35968	P11362	6.769551078621726	6.721246399047171	0.048304679574554754	Different Family
[P11362, P35968]	CCCCCCCCCCCCN1C(=O)c2cccc3c2c(ccc3NCCNCCN(C)C)C1=O	P35968	P11362	4.558461961297839	4.540758335121918	0.017703626175920917	Different Family
[P11362, P35968]	CCCCCCCCN1C(=O)c2cccc3c2c(ccc3NCCNCCN(C)C)C1=O	P35968	P11362	4.310336034984229	4.743282254022513	0.4329462190382838	Different Family
[P11362, P35968]	CCCCNC(=O)c1ccc2c(c1)C(=C(c3ccccc3)c4[nH]c5ccccc5n4)C(=O)N2	P35968	P11362	6.838631997765025	4.522878745280337	2.3157532524846873	Different Family
[P11362, P35968]	CCCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cccnc3)Br	P35968	P11362	6.900008766455316	7.599980364934842	0.6999715984795261	Different Family
[P11362, P35968]	CCN(CC)CCCCCNc1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	8.397940008672037	7.887345359137068	0.5105946495349691	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)N)c3c(cccc3Cl)Cl)cn1	P35968	P11362	5.920818753952375	6.328295703098071	0.4074769491456962	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)N)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	6.657577319177793	7.198861457849904	0.5412841386721103	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)N)c3ccccc3)cn1	P35968	P11362	5.443697499232713	5.322657723022635	0.12103977621007811	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3c(cccc3Cl)Cl)cn1	P35968	P11362	7.6020599913279625	7.878480975656853	0.2764209843288903	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	8.221848749616356	7.911954370472159	0.3098943791441968	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3ccccc3)cn1	P35968	P11362	6.7447274948966935	6.610924374808178	0.13380312008851547	Different Family
[P11362, P35968]	CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	P35968	P11362	6.920818753952375	7.637044183852476	0.716225429900101	Different Family
[P11362, P35968]	CCN(CC)CCCNc1cc2c(cc(c(n2)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC)cn1	P35968	P11362	7.823908740944319	7.659379381312206	0.16452935963211246	Different Family
[P11362, P35968]	CCN(CC)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P35968	P11362	4.8996294548824375	5.055517327849832	0.15588787296739426	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4cc(cc(c4)F)F)c5[nH]cc(n5)C)C(=O)N3	P35968	P11362	8.154901959985743	7.619788758288394	0.5351132016973494	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccc(cc4)Cl)c5[nH]ccn5)C(=O)N3	P35968	P11362	7.958607314841775	7.619788758288394	0.338818556553381	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccc(cc4)OC)c5[nH]c6ccccc6n5)C(=O)N3	P35968	P11362	7.886056647693163	7.356547323513813	0.52950932417935	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4cccc(c4)F)c5[nH]cc(n5)C)C(=O)N3	P35968	P11362	8.221848749616356	7.698970004336019	0.5228787452803374	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4cccc(c4)F)c5[nH]ccn5)C(=O)N3	P35968	P11362	7.698970004336019	7.769551078621726	0.07058107428570715	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccc(cc6n5)OC)C(=O)N3	P35968	P11362	7.568636235841013	7.3872161432802645	0.18142009256074854	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]ccn5)C(=O)N3	P35968	P11362	6.628932137728264	6.812479279163537	0.18354714143527318	Different Family
[P11362, P35968]	CCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccccc4F)c5[nH]cc(n5)C)C(=O)N3	P35968	P11362	7.795880017344075	7.823908740944319	0.028028723600243666	Different Family
[P11362, P35968]	CCN1CCC(CC1)Oc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccc(cc6n5)OC)C(=O)N3	P35968	P11362	6.671620396561262	6.133122185662502	0.5384982108987604	Different Family
[P11362, P35968]	CCN1CCCC(C1)Nc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccc(cc6n5)OC)C(=O)N3	P35968	P11362	6.304518323509803	5.995678626217358	0.308839697292445	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(cc2n1)NCCCCN(CC)CC)c3c(cccc3Cl)Cl	P35968	P11362	6.886056647693163	7.666741009722559	0.7806843620293957	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(cc2n1)NCCCCN(CC)CC)c3cc(cc(c3)OC)OC	P35968	P11362	7.337242168318426	7.752922702990778	0.41568053467235266	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCN(CC3)C)c4c(cccc4Cl)Cl	P35968	P11362	6.958607314841775	7.645365019512084	0.6867577046703097	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(cc2n1)NCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	7.292429823902063	7.6777807052660805	0.3853508813640172	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(nc2n1)NCCCCN(CC)CC)c3cc(cc(c3)OC)OC	P35968	P11362	6.721246399047171	7.260716752203079	0.5394703531559077	Different Family
[P11362, P35968]	CCNC(=O)Nc1c(cc2cnc(nc2n1)NCCCN3CCN(CC3)C)c4cc(cc(c4)OC)OC	P35968	P11362	7.2076083105017466	7.613106777509403	0.40549846700765624	Different Family
[P11362, P35968]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)c4ccccn4)Br	P35968	P11362	5.499999678657065	7.100015437450609	1.6000157587935444	Different Family
[P11362, P35968]	CCc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P35968	P11362	6.299997602857746	7.400007822415902	1.1000102195581558	Different Family
[P11362, P35968]	CCc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	7.769551078621726	7.552841968657781	0.21670910996394532	Different Family
[P11362, P35968]	CN(C)C(=O)N(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	7.214670164989233	7.301029995663981	0.0863598306747484	Different Family
[P11362, P35968]	CN(C)C1CCN(C1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P35968	P11362	7.221848749616356	7.698970004336019	0.4771212547196626	Different Family
[P11362, P35968]	CN(C)CC(=O)N(C)c1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P35968	P11362	7.5376020021010435	8.522878745280337	0.9852767431792939	Different Family
[P11362, P35968]	CN(C)CCCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P35968	P11362	4.809668301829708	4.4156687756324695	0.39399952619723866	Different Family
[P11362, P35968]	CN(C)CCN(C)C(=O)c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	7.619788758288394	7.055517327849832	0.5642714304385619	Different Family
[P11362, P35968]	CN(C)CCN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)S(=O)(=O)C	P35968	P11362	7.638272163982407	7.6020599913279625	0.03621217265444443	Different Family
[P11362, P35968]	CN(C)CCOc1c2ccccc2c3c(c1C(=O)OC)c4c(o3)C(=O)c5ccccc5C4=O	P35968	P11362	4.886056647693163	4.627087997029894	0.25896865066326935	Different Family
[P11362, P35968]	CN(C)Cc1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4	P35968	P11362	7.1938200260161125	7.086186147616283	0.10763387839982919	Different Family
[P11362, P35968]	CN(C)c1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P35968	P11362	6.0655015487564325	6.4089353929735005	0.3434338442170679	Different Family
[P11362, P35968]	CN(c1ccc(cc1)NC(=C2c3ccc(cc3NC2=O)C(=O)OC)c4ccccc4)C(=O)Cn5ccnc5	P35968	P11362	8.221848749616356	7.180456064458132	1.0413926851582245	Different Family
[P11362, P35968]	CN1CCCC(C1)Oc2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P35968	P11362	8.301029995663981	9.0	0.6989700043360187	Different Family
[P11362, P35968]	CN1CCCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P35968	P11362	7.180456064458132	7.698970004336019	0.5185139398778871	Different Family
[P11362, P35968]	CN1CCN(CC1)C(=O)c2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccccc6n5)C(=O)N3	P35968	P11362	5.743763466794077	6.007446482167865	0.2636830153737879	Different Family
[P11362, P35968]	CN1CCN(CC1)C(=O)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P35968	P11362	7.585026652029182	8.0	0.4149733479708182	Different Family
[P11362, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35968	P11362	7.989405350465031	7.2677386874207635	0.7216666630442674	Different Family
[P11362, P35968]	CN1CCN(CC1)CC(=O)Nc2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35968	P11362	7.080921907623926	6.6595558851598815	0.42136602246404475	Different Family
[P11362, P35968]	CN1CCN(CC1)CCCNc2cc3c(cc(c(n3)N)c4c(cccc4Cl)Cl)cn2	P35968	P11362	5.7447274948966935	6.789198036565084	1.0444705416683906	Different Family
[P11362, P35968]	CN1CCN(CC1)CCCNc2cc3c(cc(c(n3)N)c4cc(cc(c4)OC)OC)cn2	P35968	P11362	6.7447274948966935	7.21873461556887	0.47400712067217654	Different Family
[P11362, P35968]	CN1CCN(CC1)CCCNc2cc3c(cc(c(n3)N)c4ccccc4)cn2	P35968	P11362	5.5376020021010435	5.4974097437481095	0.04019225835293394	Different Family
[P11362, P35968]	CN1CCN(CC1)CCCNc2cc3c(cc(c(n3)NCCCN4CCN(CC4)C)c5ccccc5)cn2	P35968	P11362	5.060480747381382	4.779545458967391	0.28093528841399085	Different Family
[P11362, P35968]	CN1CCN(CC1)Cc2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P35968	P11362	7.568636235841013	8.045757490560675	0.4771212547196617	Different Family
[P11362, P35968]	CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccccc6n5)C(=O)N3	P35968	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)C(c5ccccc5)OC	P35968	P11362	6.364516253185088	7.327902142064283	0.9633858888791949	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N	P35968	P11362	7.187086643357144	7.958607314841775	0.7715206714846303	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P35968	P11362	5.187086643357144	5.3872161432802645	0.20012949992312024	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cc(cc5F)F)[nH]c4=O)N	P35968	P11362	6.886056647693163	7.522878745280337	0.6368220975871743	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5c(cccc5Cl)[nH]c4=O)N	P35968	P11362	7.853871964321762	8.698970004336019	0.8450980400142569	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)F)F)N	P35968	P11362	6.721246399047171	6.958607314841775	0.2373609157946035	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(c(cc5[nH]c4=O)N(C)C)F)N	P35968	P11362	5.275724130399211	5.7447274948966935	0.4690033644974827	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)C(=O)NCc6ccccc6)N	P35968	P11362	7.301029995663981	8.0	0.6989700043360187	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)Cl)N	P35968	P11362	7.366531544420414	7.619788758288394	0.25325721386797984	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)F)N	P35968	P11362	7.107905397309519	7.3979400086720375	0.2900346113625183	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N(C)C)N	P35968	P11362	6.795880017344075	7.080921907623926	0.2850418902798513	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)N)N	P35968	P11362	7.721246399047171	8.154901959985743	0.43365556093857194	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NC(=O)c6ccccc6)N	P35968	P11362	6.008773924307505	6.045757490560675	0.0369835662531699	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cc(ccc5[nH]c4=O)NCc6ccccc6)N	P35968	P11362	7.6777807052660805	8.096910013008056	0.41912930774197577	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccc(cc5[nH]c4=O)F)N	P35968	P11362	7.853871964321762	8.522878745280337	0.6690067809585756	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5cccc(c5[nH]c4=O)F)N	P35968	P11362	6.251811972993799	6.721246399047171	0.4694344260533718	Different Family
[P11362, P35968]	CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4c(c5ccccc5[nH]c4=O)N	P35968	P11362	7.376750709602099	8.071333751784366	0.6945830421822663	Different Family
[P11362, P35968]	CN1CCN(CC1)c2cccc3c2c(c(c(=O)[nH]3)c4[nH]c5ccccc5n4)N	P35968	P11362	7.769551078621726	9.0	1.230448921378274	Different Family
[P11362, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	P11362	7.403512866263456	8.096910013008056	0.6933971467446005	Different Family
[P11362, P35968]	CNc1c2ccccc2[nH]c(=O)c1c3[nH]c4ccccc4n3	P35968	P11362	6.657577319177793	6.920818753952375	0.2632414347745815	Different Family
[P11362, P35968]	CNc1ccc2c(c1)[nH]c(=O)c(c2N)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C	P35968	P11362	6.0	6.431798275933005	0.431798275933005	Different Family
[P11362, P35968]	CNc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P35968	P11362	7.275724130399211	7.823908740944319	0.5481846105451078	Different Family
[P11362, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCC5)C(=O)c6ccccc6C3=O	P35968	P11362	5.259637310505756	4.623423042943488	0.6362142675622682	Different Family
[P11362, P35968]	COC(=O)c1c2c3c(oc2c4ccccc4c1OCCN5CCCCC5)C(=O)c6ccccc6C3=O	P35968	P11362	5.337242168318426	5.1487416512809245	0.18850051703750115	Different Family
[P11362, P35968]	COC(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5	P35968	P11362	7.443697499232713	7.1487416512809245	0.29495584795178864	Different Family
[P11362, P35968]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P35968	P11362	5.899998417198648	7.199970640755866	1.2999722235572175	Different Family
[P11362, P35968]	COCCCc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P35968	P11362	5.800000874803203	7.599980364934842	1.7999794901316388	Different Family
[P11362, P35968]	COCCN1CCC(CC1)Nc2ccc3c(c2)C(=C(c4ccccc4)c5[nH]c6ccccc6n5)C(=O)N3	P35968	P11362	7.769551078621726	7.301029995663981	0.46852108295774464	Different Family
[P11362, P35968]	COCCNC(=O)c1ccc2c(c1)C(=C(c3ccccc3)c4[nH]c5ccccc5n4)C(=O)N2	P35968	P11362	6.892790030352131	5.0147532091971385	1.8780368211549927	Different Family
[P11362, P35968]	COCCNS(=O)(=O)c1ccc2c(c1)C(=C(c3ccccc3)c4[nH]c5ccccc5n4)C(=O)N2	P35968	P11362	4.522878745280337	4.522878745280337	0.0	Different Family
[P11362, P35968]	COCCn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4cccc(c4)C(F)(F)F	P35968	P11362	8.045757490560675	4.568636235841013	3.4771212547196617	Different Family
[P11362, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P35968	P11362	7.667561540084395	9.0	1.332438459915605	Different Family
[P11362, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3ccnc(n3)NCc4ccccn4	P35968	P11362	6.399996913372259	8.299988937677888	1.8999920243056287	Different Family
[P11362, P35968]	COc1cc(cc(c1OC)c2c[nH]cn2)NC(=O)Nc3ccccn3	P35968	P11362	7.478469658721289	7.248028425263673	0.2304412334576158	Different Family
[P11362, P35968]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3ccncc3	P35968	P11362	6.67064280586845	6.565670662662271	0.10497214320617942	Different Family
[P11362, P35968]	COc1cc(cc(c1OC)c2cccnc2)NC(=O)Nc3nccs3	P35968	P11362	6.535793715656216	6.476396587863431	0.05939712779278494	Different Family
[P11362, P35968]	Cc1[nH]nc(n1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	7.1487416512809245	7.301029995663981	0.15228834438305672	Different Family
[P11362, P35968]	Cc1c(c([nH]c1C=C2c3ccccc3NC2=O)C)CCC(=O)O	P35968	P11362	5.4089353929735005	5.7423214251308154	0.333386032157315	Different Family
[P11362, P35968]	Cc1c(cn2c1c(ncn2)Oc3ccc4c(c3F)cc([nH]4)CO)OCC(C)O	P35968	P11362	7.107905397309519	6.119186407719209	0.9887189895903106	Different Family
[P11362, P35968]	Cc1c2c(n[nH]1)Nc3cc(c(cc3C(=N2)c4ccccc4Cl)F)OC	P35968	P11362	8.0	7.552841968657781	0.44715803134221943	Different Family
[P11362, P35968]	Cc1c2c(n[nH]1)Nc3ccc(cc3C(=N2)c4ccccc4Cl)N	P35968	P11362	7.468521082957745	7.301029995663981	0.16749108729376339	Different Family
[P11362, P35968]	Cc1c[nH]c(c1CCC(=O)O)C=C2c3ccccc3NC2=O	P35968	P11362	7.698970004336019	4.698970004336019	3.0	Different Family
[P11362, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P35968	P11362	8.98052465851433	5.568636235841013	3.411888422673317	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCC=C)Br	P35968	P11362	6.049999517423265	5.849998925419548	0.20000059200371645	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCCc3c[nH]nc3C)Br	P35968	P11362	6.299997602857746	6.900008766455316	0.6000111635975696	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cc(no3)C)Br	P35968	P11362	6.299997602857746	6.399996913372259	0.09999931051451316	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3cccnc3)Br	P35968	P11362	6.199998172182031	5.949998492940683	0.24999967924134836	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCCc3ccco3)Br	P35968	P11362	6.699991797446187	6.699991797446187	0.0	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(=O)N4CCCC4)Br	P35968	P11362	4.800000052738446	5.300000202445418	0.5000001497069713	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C(C)(C)C)Br	P35968	P11362	5.40000018605658	7.150018134498604	1.7500179484420233	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Br	P35968	P11362	5.699999204645692	6.9999843876746315	1.299985183028939	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cc(no3)C)Cl	P35968	P11362	6.299997602857746	7.50003813440381	1.2000405315460636	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3ccccn3)Br	P35968	P11362	5.800000874803203	6.699991797446187	0.8999909226429841	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2c(cnc(n2)NCc3cnc(cn3)C)Br	P35968	P11362	6.0	7.0	1.0	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C	P35968	P11362	6.0	7.100015437450609	1.100015437450609	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C(=O)N	P35968	P11362	5.899998417198648	7.0	1.1000015828013519	Different Family
[P11362, P35968]	Cc1cc(n[nH]1)Nc2ccnc(n2)NCc3cc(no3)C4CC4	P35968	P11362	6.0999990348465305	7.599980364934842	1.4999813300883114	Different Family
[P11362, P35968]	Cc1cc(no1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	P35968	P11362	6.900008766455316	8.700057099977233	1.800048333521917	Different Family
[P11362, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCCOC	P35968	P11362	5.59999938302362	7.100015437450609	1.5000160544269887	Different Family
[P11362, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	P35968	P11362	6.900008766455316	8.100015437450608	1.2000066709952923	Different Family
[P11362, P35968]	Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CO	P35968	P11362	4.70000006855703	6.0999990348465305	1.399998966289501	Different Family
[P11362, P35968]	Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OCC(C)O)C	P35968	P11362	7.570999164091299	7.346719190813538	0.2242799732777616	Different Family
[P11362, P35968]	Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OCC(C)OS(=O)(=O)O)C	P35968	P11362	7.552841968657781	7.585026652029182	0.032184683371401235	Different Family
[P11362, P35968]	Cc1cc2c(cc1C)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P35968	P11362	6.6777807052660805	7.154901959985743	0.4771212547196626	Different Family
[P11362, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	P11362	8.638272163982407	8.744727494896694	0.1064553309142866	Different Family
[P11362, P35968]	Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P35968	P11362	8.56804131152107	9.154901959985743	0.5868606484646737	Different Family
[P11362, P35968]	Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	P35968	P11362	7.97325923198876	6.853871964321762	1.1193872676669985	Different Family
[P11362, P35968]	Cc1ccc2c(c1)nc([nH]2)c3c(c4ccccc4[nH]c3=O)N	P35968	P11362	6.657577319177793	7.096910013008056	0.43933269383026285	Different Family
[P11362, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	P11362	6.853871964321762	6.958607314841775	0.10473535052001282	Different Family
[P11362, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P35968	P11362	6.255707016877324	6.017728766960432	0.23797824991689165	Different Family
[P11362, P35968]	Cc1cccc2c1c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCN(CC5)C)N	P35968	P11362	7.920818753952375	8.522878745280337	0.6020599913279625	Different Family
[P11362, P35968]	Cc1cccnc1CNc2ncc(c(n2)Nc3cc([nH]n3)C)Br	P35968	P11362	6.299997602857746	7.100015437450609	0.8000178345928628	Different Family
[P11362, P35968]	Cc1cnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	8.096910013008056	7.698970004336019	0.3979400086720375	Different Family
[P11362, P35968]	Cc1nc(no1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	6.958607314841775	6.853871964321762	0.10473535052001282	Different Family
[P11362, P35968]	Cc1nc(on1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	7.309803919971486	6.958607314841775	0.3511966051297115	Different Family
[P11362, P35968]	Cc1nnc(o1)c2cn3c(c2C(C)C)c(ncn3)Nc4cc(c(cc4F)F)C(=O)NOC	P35968	P11362	7.4051145218265635	7.721246399047171	0.31613187722060765	Different Family
[P11362, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35968	P11362	7.356547323513813	7.187086643357144	0.1694606801566687	Different Family
[P11362, P35968]	Cn1cc(nc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P35968	P11362	6.652494350524098	6.58370906565516	0.06878528486893742	Different Family
[P11362, P35968]	Cn1cc(nc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P35968	P11362	6.449588180991926	6.431094585017121	0.018493595974804933	Different Family
[P11362, P35968]	Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	P35968	P11362	7.958607314841775	6.4089353929735005	1.5496719218682742	Different Family
[P11362, P35968]	Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	P35968	P11362	8.031517051446064	7.853871964321762	0.1776450871243025	Different Family
[P11362, P35968]	Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCOCC5	P35968	P11362	7.721246399047171	5.346787486224656	2.374458912822515	Different Family
[P11362, P35968]	Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4ccc(c(c4)C(F)(F)F)N5CCOCC5	P35968	P11362	7.214670164989233	6.214670164989233	1.0	Different Family
[P11362, P35968]	Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)Cl)NC(=O)Nc4ccc(c(c4)C(F)(F)F)OC5CCN(CC5)C	P35968	P11362	7.920818753952375	6.568636235841013	1.3521825181113618	Different Family
[P11362, P35968]	c1c(cc(c(c1O)O)O)C=C(C#N)C(=C(C#N)C#N)N	P35968	P11362	5.366531544420414	5.309803919971486	0.05672762444892765	Different Family
[P11362, P35968]	c1cc(c(c2c1OCO2)Nc3c4c(cc(cc4OC5CCOCC5)OCCCN6CCCC6)ncn3)Cl	P35968	P11362	5.6020599913279625	4.431798275933005	1.1702617153949575	Different Family
[P11362, P35968]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3ccncc3)OC(F)(F)F	P35968	P11362	7.654430243943608	7.487182241435127	0.16724800250848126	Different Family
[P11362, P35968]	c1cc(c(cc1c2cncnc2)NC(=O)Nc3nccs3)OC(F)(F)F	P35968	P11362	7.163549286279846	6.812028298352604	0.35152098792724207	Different Family
[P11362, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2Cl)Oc3c4c(ccn4CCOCCO)ncn3)C(F)(F)F	P35968	P11362	8.568636235841012	5.187086643357144	3.381549592483868	Different Family
[P11362, P35968]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3ccncc3)C(F)(F)F	P35968	P11362	7.031423664824502	6.859932130947713	0.1714915338767895	Different Family
[P11362, P35968]	c1cc(cnc1)c2cc(cc(c2)NC(=O)Nc3nccs3)C(F)(F)F	P35968	P11362	7.241390857340257	7.003707281458678	0.2376835758815785	Different Family
[P11362, P35968]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3ccncc3)OC(F)(F)F	P35968	P11362	6.892281389479737	6.9821322810364945	0.08985089155675752	Different Family
[P11362, P35968]	c1cc(cnc1)c2ccc(c(c2)NC(=O)Nc3nccs3)OC(F)(F)F	P35968	P11362	6.9725688422330965	7.017050711425501	0.04448186919240449	Different Family
[P11362, P35968]	c1cc2c(cc1N3CCC(CC3)N4CCCCC4)nc([nH]2)c5c6ccc(cc6n[nH]5)F	P35968	P11362	7.785156151952302	7.622672965372284	0.16248318658001804	Different Family
[P11362, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P35968	P11362	8.113509274827518	7.920818753952375	0.19269052087514282	Different Family
[P11362, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	P11362	5.1487416512809245	5.366531544420414	0.21778989313948927	Different Family
[P11362, P35968]	c1ccc(cc1)NC(=O)c2cccc3c2ccc(c3)c4csc5c4c(ncn5)N	P35968	P11362	8.934833115752497	6.1913164908710305	2.743516624881466	Different Family
[P11362, P35968]	c1ccc(cc1)c2cccc(c2)Nc3c4cc5c(cc4ncn3)OCO5	P35968	P11362	6.071604147743286	7.200659450546419	1.129055302803133	Different Family
[P11362, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)N5CCOCC5)N	P35968	P11362	7.2441251443275085	7.600329725273209	0.3562045809457004	Different Family
[P11362, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccc(cc4n3)OCCN5CCOCC5)N	P35968	P11362	7.180456064458132	7.698970004336019	0.5185139398778871	Different Family
[P11362, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P35968	P11362	7.236572006437063	7.439713034397075	0.20314102796001166	Different Family
[P11362, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)NCC5CCNCC5	P35968	P11362	6.026872146400302	6.259637310505756	0.23276516410545423	Different Family
[P11362, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P35968	P11362	6.619788758288394	6.856659515322535	0.23687075703414173	Different Family
[P11362, P35968]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cccnc3	P35968	P11362	7.061780582187257	6.886524601463263	0.1752559807239944	Different Family
[P11362, P35968]	c1ccnc(c1)NC(=O)Nc2cc(ccc2OC(F)(F)F)c3cncnc3	P35968	P11362	7.282329496997738	7.090016305060156	0.19231319193758178	Different Family
[P11362, P35968]	c1cnccc1NC(=O)Nc2cc(cc(c2)C(F)(F)F)c3cncnc3	P35968	P11362	7.666149854897455	7.54928912185308	0.1168607330443745	Different Family
[P08581, P35968]	CC(=O)c1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	6.7423214251308154	7.286509456906058	0.5441880317752421	Different Family
[P08581, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	P08581	5.356547323513812	4.5376020021010435	0.8189453214127687	Different Family
[P08581, P35968]	CC1=[N+](C(=O)C(C=C1)C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4c3)NC(=O)C5CC5)c6ccccc6	P35968	P08581	8.861539433967113	8.388381863448501	0.4731575705186124	Different Family
[P08581, P35968]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P35968	P08581	5.653647025549361	4.394694953858891	1.2589520716904703	Different Family
[P08581, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	P08581	5.317854923626168	5.505845405981558	0.1879904823553895	Different Family
[P08581, P35968]	CC1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)NN=Cc5ccc(cc5F)F	P35968	P08581	6.161150909262744	8.853871964321762	2.6927210550590175	Different Family
[P08581, P35968]	CCOCCNc1nccc(n1)Oc2ccc(cc2F)NC(=O)C3(CC3)C(=O)Nc4ccc(cc4)F	P35968	P08581	5.60756686844445	6.603975103391407	0.9964082349469567	Different Family
[P08581, P35968]	CCc1ccc(cc1)c2[nH]c3cc(ccc3n2)Nc4c5ccccc5ncn4	P35968	P08581	5.060980223551334	5.136677139879544	0.0756969163282104	Different Family
[P08581, P35968]	CN(C)CCCON=Cc1c(ncnc1Oc2ccc(cc2F)NC(=O)C3(CC3)C(=O)Nc4ccc(cc4)F)N	P35968	P08581	6.769551078621726	6.6777807052660805	0.09177037335564542	Different Family
[P08581, P35968]	CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	P35968	P08581	7.596910013008056	7.77642098432889	0.17951097132083405	Different Family
[P08581, P35968]	CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(ccn3)Oc4ccc(cc4F)NC(=O)c5c(c6ccccc6n(c5=O)c7ccc(cc7)F)Cl	P35968	P08581	6.265520210574422	8.91721462968355	2.651694419109127	Different Family
[P08581, P35968]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P35968	P08581	7.926935982160881	5.1938200260161125	2.7331159561447684	Different Family
[P08581, P35968]	CNC(=O)c1cc2c(ccnc2cc1OC)Oc3ccc(cc3F)NC(=S)NC(=O)Cc4ccccc4	P35968	P08581	7.522878745280337	7.494850021680094	0.028028723600243666	Different Family
[P08581, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P08581	5.107905397309519	4.6020599913279625	0.5058454059815567	Different Family
[P08581, P35968]	CON=Cc1c(ncnc1Oc2ccc(cc2F)NC(=O)C3(CC3)C(=O)Nc4ccc(cc4)F)N	P35968	P08581	6.920818753952375	6.42021640338319	0.500602350569185	Different Family
[P08581, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	P08581	5.823908740944319	4.346787486224656	1.4771212547196626	Different Family
[P08581, P35968]	COc1cc2c(cc1OC)ncnc2Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35968	P08581	8.221848749616356	5.636388020107856	2.5854607295085	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3F)NC(=S)NC(=O)Cc4ccccc4	P35968	P08581	7.494850021680094	7.096910013008056	0.3979400086720375	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)CC(=O)NN=Cc5ccc(cc5)C(F)(F)F	P35968	P08581	6.251811972993799	8.730487055782083	2.4786750827882837	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(=O)c6ccccc6n(n5)c7ccccc7C(F)(F)F	P35968	P08581	7.813326132500255	9.229147988357855	1.4158218558576001	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c(n(nn5)c6ccc(cc6)F)C(F)(F)F	P35968	P08581	7.184289460211037	8.98296666070122	1.7986772004901823	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCC3)Oc4ccc(cc4F)NC(=O)c5c6ccccc6c(=O)n(n5)c7ccc(cc7)F	P35968	P08581	7.152365655681745	8.787812395596042	1.635446739914297	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)NN=Cc5cccc(c5O)CC=C	P35968	P08581	6.677367288307777	8.812479279163536	2.1351119908557594	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCCCC3)Oc4ccc(cc4F)NC(=O)c5cn(nn5)c6ccccc6Cl	P35968	P08581	7.014663358264388	8.643974142806877	1.62931078454249	Different Family
[P08581, P35968]	COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)N5CCN(C5=O)c6ccccc6	P35968	P08581	7.522878745280337	7.301029995663981	0.22184874961635614	Different Family
[P08581, P35968]	COc1ccc(cc1)NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(n4)Nc5cccc(c5)CS(=O)(=O)C	P35968	P08581	8.214670164989233	6.471597562046383	1.74307260294285	Different Family
[P08581, P35968]	COc1ccc(cc1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	5.357139947415509	7.279014255846261	1.921874308430752	Different Family
[P08581, P35968]	COc1cccc(c1)NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(n4)Nc5cccc(c5)CS(=O)(=O)C	P35968	P08581	8.2518119729938	6.165515714665195	2.0862962583286047	Different Family
[P08581, P35968]	COc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	6.638272163982407	6.943857737940948	0.3055855739585409	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1ccc(cc1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	7.2839966563652006	7.6307841425898575	0.34678748622465694	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2cc(ccn2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	7.795880017344075	8.42021640338319	0.6243363860391149	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2cc(ncn2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	7.259637310505756	7.663540266151471	0.403902955645715	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(c(c3)F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	8.397940008672037	7.882728704344236	0.5152113043278019	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)Br	P35968	P08581	7.211124884224583	7.1778319206319825	0.0332929635926007	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)C(F)(F)F	P35968	P08581	6.657774770639209	6.735182176990463	0.07740740635125398	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)Cl	P35968	P08581	7.518557371497695	7.488116639021126	0.030440732476569643	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	7.853871964321762	8.102372908709558	0.24850094438779635	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccccc5	P35968	P08581	7.795880017344075	8.05551732784983	0.2596373105057559	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P35968	P08581	7.077793722560983	6.10132965703447	0.9764640655265131	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)Br	P35968	P08581	7.33161408331	7.151195298948196	0.18041878436180347	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	8.221848749616356	8.173925197299173	0.04792355231718304	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5cccc(c5)C(F)(F)F	P35968	P08581	7.318758762624412	6.6302277114030375	0.6885310512213749	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5cccc(c5)Cl	P35968	P08581	8.008773924307505	6.672232510097271	1.3365414142102336	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5cccc(c5)F	P35968	P08581	7.366531544420414	6.809388202186395	0.5571433422340188	Different Family
[P08581, P35968]	CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccccc5	P35968	P08581	7.896196279044043	7.58838029403677	0.3078159850072728	Different Family
[P08581, P35968]	Cc1c([nH]c(=O)n1c2ccccc2Cl)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P35968	P08581	7.033389013318065	8.847711655616944	1.8143226422988787	Different Family
[P08581, P35968]	Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)C=C3c4ccc(cc4NC3=O)NC(=O)CC(=O)Nc5ccc(cc5)OC	P35968	P08581	7.684029654543083	7.97469413473523	0.29066448019214697	Different Family
[P08581, P35968]	Cc1c(c(=O)n(n1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4ccc(c5)OC	P35968	P08581	6.161150909262744	7.2214871388068085	1.0603362295440641	Different Family
[P08581, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	P08581	6.494850021680094	6.236572006437063	0.2582780152430306	Different Family
[P08581, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	P08581	6.4089353929735005	5.950781977329818	0.4581534156436824	Different Family
[P08581, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	P08581	5.2247537402597635	5.06398920428479	0.1607645359749732	Different Family
[P08581, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P35968	P08581	4.578396073130169	5.015472686656207	0.4370766135260382	Different Family
[P08581, P35968]	Cc1cc(=O)n(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)c6ccccc6C(F)(F)F	P35968	P08581	6.371182096742968	8.667561540084394	2.2963794433414257	Different Family
[P08581, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P08581	5.375717904164332	5.6860800803851195	0.31036217622078777	Different Family
[P08581, P35968]	Cc1cc(cc2c1nc([nH]2)c3c(cc[nH]c3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5	P35968	P08581	5.853871964321762	5.3124710387853655	0.5414009255363963	Different Family
[P08581, P35968]	Cc1cc(n(n1)C)C(=O)Nc2ccc(cc2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P35968	P08581	7.920818753952375	6.026872146400302	1.8939466075520732	Different Family
[P08581, P35968]	Cc1cc(nn1c2ccccc2)C(=O)Nc3ccc(cc3)Oc4ccc5nc(cn5n4)NC(=O)C6CC6	P35968	P08581	7.050609993355087	7.050609993355087	0.0	Different Family
[P08581, P35968]	Cc1ccc(cc1)N2C(=O)C(=CNc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCCC6)OC)C(=O)NC2=O	P35968	P08581	6.415555692834824	8.939302159646388	2.5237464668115646	Different Family
[P08581, P35968]	Cc1ccc(cc1)NC(=O)C2(CC2)C(=O)Nc3ccc(cc3)Oc4ccnc(n4)Nc5cccc(c5)CS(=O)(=O)C	P35968	P08581	7.267606240177032	7.730487055782084	0.4628808156050521	Different Family
[P08581, P35968]	Cc1ccc(cc1)c2[nH]c3cc(ccc3n2)Nc4c5ccccc5ncn4	P35968	P08581	5.3223930472795065	5.342944147142896	0.020551099863389766	Different Family
[P08581, P35968]	Cc1ccc(cc1)c2ccnc(c2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OCCCN6CCN(CC6)C)OC	P35968	P08581	6.27417000967942	8.856985199745905	2.5828151900664853	Different Family
[P08581, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P35968	P08581	5.337242168318426	4.3223930472795065	1.0148491210389192	Different Family
[P08581, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P35968	P08581	5.314258261397736	4.560667306169737	0.7535909552279989	Different Family
[P08581, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P35968	P08581	5.221125527997261	4.145693958198919	1.0754315697983419	Different Family
[P08581, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P35968	P08581	5.305394801066432	4.468521082957745	0.8368737181086869	Different Family
[P08581, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P35968	P08581	5.361510743045363	4.107905397309519	1.2536053457358438	Different Family
[P08581, P35968]	Cc1ccc(cc1Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)CS(=O)(=O)C	P35968	P08581	7.610833915635467	6.824198367151721	0.7866355484837468	Different Family
[P08581, P35968]	Cc1cccc(c1)c2[nH]c3cc(ccc3n2)Nc4c5ccccc5ncn4	P35968	P08581	5.182434630440219	5.055517327849832	0.12691730259038714	Different Family
[P08581, P35968]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	P08581	6.853871964321762	5.619788758288394	1.2340832060333682	Different Family
[P08581, P35968]	Cc1ccn(c(=O)c1C(=O)Nc2ccc(c(c2)F)Oc3ccc4nc(cn4n3)NC(=O)C5CC5)c6ccccc6	P35968	P08581	8.203942574984069	8.2839966563652	0.08005408138113168	Different Family
[P08581, P35968]	Cn1ccnc1c2cc3c(ccnc3s2)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccccc5	P35968	P08581	8.522878745280337	9.0	0.4771212547196626	Different Family
[P08581, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	P08581	6.102372908709558	6.236572006437063	0.13419909772750493	Different Family
[P08581, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	P08581	5.920818753952375	5.958607314841775	0.03778856088939975	Different Family
[P08581, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	P08581	6.221848749616356	6.096910013008056	0.1249387366082999	Different Family
[P08581, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P35968	P08581	4.875821944525325	5.294992040666664	0.4191700961413396	Different Family
[P08581, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P35968	P08581	4.796967112985289	5.221848749616356	0.42488163663106704	Different Family
[P08581, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	P08581	6.552841968657781	6.236572006437063	0.31626996222071746	Different Family
[P08581, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P08581	5.301029995663981	5.2441251443275085	0.05690485133647272	Different Family
[P08581, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P08581	6.0	5.366531544420414	0.6334684555795862	Different Family
[P08581, P35968]	c1cc(cc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)C(F)(F)F	P35968	P08581	6.707300996956071	6.729321163855293	0.022020166899222815	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NO)F	P35968	P08581	6.853871964321762	6.568636235841013	0.28523572848074874	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NOCC(CN5CCOCC5)O)F	P35968	P08581	6.050609993355088	6.008773924307505	0.04183606904758275	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NOCCCN5CCCC5)F	P35968	P08581	6.468521082957745	6.036212172654444	0.4323089103033002	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NOCCCN5CCOCC5)F	P35968	P08581	6.657577319177793	6.376750709602099	0.28082660957569416	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NOCCCO)F	P35968	P08581	6.251811972993799	6.552841968657781	0.30102999566398125	Different Family
[P08581, P35968]	c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4c(c(ncn4)N)C=NOCCN5CCCC5)F	P35968	P08581	6.6020599913279625	6.638272163982407	0.03621217265444443	Different Family
[P08581, P35968]	c1cc(ccc1c2c[nH]cc(c2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N)F	P35968	P08581	7.823908740944319	8.769551078621726	0.9456423376774072	Different Family
[P08581, P35968]	c1cc(ccc1n2c(c(nn2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)C(F)(F)F)F	P35968	P08581	7.064240896254688	8.774690718274137	1.7104498220194486	Different Family
[P08581, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	P08581	5.886056647693163	5.552841968657781	0.3332146790353825	Different Family
[P08581, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P35968	P08581	8.113509274827518	6.962573502059376	1.1509357727681415	Different Family
[P08581, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P08581	5.3872161432802645	5.292429823902063	0.09478631937820126	Different Family
[P08581, P35968]	c1ccc(cc1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	P35968	P08581	6.592439150513638	7.165579296318468	0.57314014580483	Different Family
[P08581, P35968]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P35968	P08581	6.718966632752273	5.614930223668066	1.1040364090842072	Different Family
[P08581, P35968]	c1ccc(cc1)c2[nH]c3cc(ccc3n2)Nc4c5ccccc5ncn4	P35968	P08581	6.080921907623926	5.872895201635193	0.20802670598873352	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5cc(cc(c5)Cl)Cl	P35968	P08581	5.735182176990463	5.446116973356125	0.28906520363433774	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5cc(ccc5Br)F	P35968	P08581	5.0695604052333	5.105130343254747	0.03556993802144692	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5ccc(c(c5)Cl)Cl	P35968	P08581	6.119186407719209	5.815308569182402	0.30387783853680705	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5ccc(cc5)Br	P35968	P08581	6.42021640338319	6.251811972993799	0.16840443038939057	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5ccc(cc5)Cl	P35968	P08581	7.045757490560675	6.823908740944319	0.22184874961635614	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5ccc(cc5)F	P35968	P08581	7.698970004336019	7.301029995663981	0.3979400086720375	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5cccc(c5)Cl	P35968	P08581	5.801342913045578	5.372634143407267	0.4287087696383107	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5cccc(c5)F	P35968	P08581	6.086186147616283	5.823908740944319	0.26227740667196464	Different Family
[P08581, P35968]	c1ccc2c(c1)c(ncn2)Nc3ccc4c(c3)[nH]c(n4)c5ccccc5F	P35968	P08581	5.197226274708024	5.126098402135539	0.0711278725724851	Different Family
[P08581, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P08581	5.3872161432802645	5.481486060122113	0.09426991684184838	Different Family
[P08581, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	P08581	5.187086643357144	5.113509274827518	0.0735773685296266	Different Family
[O00444, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O00444	5.356547323513812	4.552841968657781	0.8037053548560316	Different Group
[O00444, P35968]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O00444	5.2839966563652006	4.356547323513813	0.9274493328513875	Different Group
[O00444, P35968]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	P35968	O00444	5.096910013008056	4.638272163982407	0.4586378490256493	Different Group
[O00444, P35968]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O00444	5.275724130399211	4.455931955649724	0.8197921747494865	Different Group
[O00444, P35968]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC	P35968	O00444	6.040958607678906	9.19520279538739	3.1542441877084837	Different Group
[O00444, P35968]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6cc(ccc6NC5=O)OC(F)F	P35968	O00444	5.309803919971486	8.585026652029182	3.2752227320576957	Different Group
[O00444, P35968]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P35968	O00444	6.958607314841775	9.013875755840463	2.055268440998688	Different Group
[O00444, P35968]	CN(C)Cc1ccc(cc1)C=Cc2c3ccc(cc3[nH]n2)C=C4c5ccccc5NC4=O	P35968	O00444	7.657577319177793	8.548455006504028	0.8908776873262347	Different Group
[O00444, P35968]	CN1CCN(CC1)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7ccccc7NC6=O	P35968	O00444	6.920818753952375	8.619788758288394	1.6989700043360187	Different Group
[O00444, P35968]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	P35968	O00444	5.698970004336019	8.891258027893047	3.192288023557028	Different Group
[O00444, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O00444	4.958607314841775	5.113509274827518	0.15490195998574308	Different Group
[O00444, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35968	O00444	7.508638306165727	5.0	2.508638306165727	Different Group
[O00444, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35968	O00444	5.376750709602099	4.795880017344075	0.5808706922580242	Different Group
[O00444, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	O00444	5.823908740944319	5.045757490560675	0.7781512503836439	Different Group
[O00444, P35968]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O00444	4.886056647693163	4.920818753952375	0.034762106259211834	Different Group
[O00444, P35968]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6cc(c(c(c6)F)CN7CCOCC7)F)C(=O)N2	P35968	O00444	5.102372908709558	8.468521082957745	3.3661481742481865	Different Group
[O00444, P35968]	COc1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P35968	O00444	4.619788758288394	8.851667404869234	4.2318786465808405	Different Group
[O00444, P35968]	Cc1ccc(c(n1)C)C=Cc2c3ccc(cc3[nH]n2)C4CC45c6ccccc6NC5=O	P35968	O00444	5.6777807052660805	8.200659450546418	2.5228787452803374	Different Group
[O00444, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35968	O00444	4.823908740944319	5.036212172654444	0.21230343171012578	Different Group
[O00444, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35968	O00444	4.508638306165727	4.337242168318426	0.17139613784730123	Different Group
[O00444, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	O00444	6.102372908709558	5.527243550682788	0.5751293580267705	Different Group
[O00444, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	O00444	5.920818753952375	5.3872161432802645	0.5336026106721103	Different Group
[O00444, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	O00444	6.221848749616356	6.154901959985743	0.06694678963061307	Different Group
[O00444, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	O00444	5.886056647693163	5.721246399047171	0.16481024864599192	Different Group
[O00444, P35968]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nc4C=Cc5ccncc5)C(=O)N2	P35968	O00444	7.468521082957745	8.443697499232712	0.9751764162749677	Different Group
[O00444, P35968]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P35968	O00444	5.6020599913279625	6.587937083041726	0.9858770917137631	Different Group
[O00444, P35968]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCCCC7)C(=O)N2	P35968	O00444	7.920818753952375	8.609841343929924	0.6890225899775491	Different Group
[O00444, P35968]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccc(cc6)CN7CCOCC7)C(=O)N2	P35968	O00444	5.853871964321762	8.746072064152084	2.8922000998303226	Different Group
[O00444, P35968]	c1ccc2c(c1)C3(CC3c4ccc5c(c4)[nH]nc5C=Cc6ccncc6)C(=O)N2	P35968	O00444	5.886056647693163	8.443697499232712	2.5576408515395492	Different Group
[P35968, P51955]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	P51955	6.096910013008056	7.6020599913279625	1.5051499783199063	Different Group
[P35968, P51955]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	P51955	5.920818753952375	7.6777807052660805	1.7569619513137056	Different Group
[P35968, P51955]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P35968	P51955	5.653647025549361	4.52432881167557	1.1293182138737912	Different Group
[P35968, P51955]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	P51955	5.317854923626168	4.8326826652518236	0.4851722583743445	Different Group
[P35968, P51955]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F	P35968	P51955	5.504316932383085	6.179798540514359	0.6754816081312747	Different Group
[P35968, P51955]	CCOc1cc2c(cc1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4	P35968	P51955	6.066411489803347	6.562249437179612	0.4958379473762653	Different Group
[P35968, P51955]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	P51955	6.494850021680094	5.73754891026957	0.7573011114105235	Different Group
[P35968, P51955]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	P51955	6.4089353929735005	5.422508200162775	0.9864271928107256	Different Group
[P35968, P51955]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	P51955	5.2247537402597635	5.183758700008217	0.040995040251546655	Different Group
[P35968, P51955]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P35968	P51955	4.578396073130169	4.928117992693875	0.3497219195637058	Different Group
[P35968, P51955]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	P51955	6.552841968657781	5.24184537803261	1.3109965906251704	Different Group
[P07948, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	P07948	6.039338878208089	6.7447274948966935	0.7053886166886043	Different Family
[P07948, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35968	P07948	7.989405350465031	6.709965388637482	1.2794399618275492	Different Family
[P07948, P35968]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	P07948	7.403512866263456	7.614036429399302	0.21052356313584664	Different Family
[P07948, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P07948	5.107905397309519	5.309803919971486	0.20189852266196695	Different Family
[P07948, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P07948	5.375717904164332	5.856430705489719	0.48071280132538696	Different Family
[P07948, P35968]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P35968	P07948	6.255707016877324	7.6777807052660805	1.4220736883887568	Different Family
[P07948, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P07948	5.301029995663981	5.309803919971486	0.008773924307504899	Different Family
[P07948, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P07948	6.0	5.468521082957745	0.5314789170422554	Different Family
[P07948, P35968]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P35968	P07948	8.337242168318426	8.502401854201409	0.16515968588298335	Different Family
[P07948, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P35968	P07948	8.113509274827518	8.397940008672037	0.2844307338445198	Different Family
[P07948, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P07948	5.3872161432802645	5.1249387366083	0.26227740667196464	Different Family
[P07948, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	P07948	5.1487416512809245	5.853871964321762	0.7051303130408373	Different Family
[P07948, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	P07948	5.187086643357144	5.1938200260161125	0.006733382658968168	Different Family
[P22455, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P35968	P22455	8.110924374808178	8.214670164989233	0.10374579018105479	Different Family
[P22455, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35968	P22455	7.989405350465031	6.214670164989233	1.774735185475798	Different Family
[P22455, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P35968	P22455	7.667561540084395	7.278189384787454	0.38937215529694136	Different Family
[P22455, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P22455	5.375717904164332	6.022276394711152	0.6465584905468207	Different Family
[P22455, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	P22455	8.638272163982407	7.468521082957745	1.1697510810246623	Different Family
[P22455, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P22455	5.301029995663981	5.356547323513812	0.05551732784983088	Different Family
[P22455, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P22455	6.0	5.275724130399211	0.7242758696007892	Different Family
[P22455, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P22455	6.356547323513812	5.552841968657781	0.8037053548560316	Different Family
[P22455, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P22455	5.3872161432802645	5.229147988357856	0.15806815492240833	Different Family
[P22455, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	P22455	5.1487416512809245	5.301029995663981	0.15228834438305672	Different Family
[P22455, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	P22455	5.187086643357144	5.036212172654444	0.15087447070269988	Different Family
[P28482, P35968]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P35968	P28482	9.309803919971486	5.5147311704332145	3.7950727495382717	Different Group
[P28482, P35968]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P35968	P28482	5.886056647693163	4.568636235841013	1.31742041185215	Different Group
[P28482, P35968]	COc1ccc(cc1)N2Cc3cnc(nc3N(C2=O)C4CCC(C4)O)Nc5ccc(cc5)F	P35968	P28482	7.301029995663981	4.8996294548824375	2.4014005407815437	Different Group
[P28482, P35968]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	P28482	5.701146923590294	5.841637507904751	0.14049058431445705	Different Group
[P28482, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P35968	P28482	5.795880017344075	5.421360790031928	0.37451922731214715	Different Group
[P28482, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P28482	5.688246138944246	5.504455662453552	0.18379047649069413	Different Group
[P28482, P35968]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	P28482	5.480172006224281	5.370590400897281	0.10958160532700045	Different Group
[P28482, P35968]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	P28482	5.053547734986927	4.779107750780481	0.2744399842064462	Different Group
[P28482, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P35968	P28482	4.875821944525325	4.848017604542526	0.027804339982798965	Different Group
[P28482, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P35968	P28482	4.796967112985289	4.7972393126068	2.7219962151114885E-4	Different Group
[P28482, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P35968	P28482	5.928117992693875	6.528708288941061	0.6005902962471863	Different Group
[P28482, P35968]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P35968	P28482	6.113509274827518	4.886056647693163	1.2274526271343547	Different Group
[P28482, P35968]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	P28482	4.95663772197887	4.913284336055118	0.04335338592375226	Different Group
[P28482, P35968]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	P28482	5.958607314841775	5.847711655616943	0.11089565922483136	Different Group
[P28482, P35968]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P35968	P28482	5.686132779630847	5.6307841425898575	0.055348637040989246	Different Group
[P28482, P35968]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P28482	4.768020973168496	4.633763876281707	0.1342570968867891	Different Group
[P28482, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	P28482	5.806875401645538	5.694648630553377	0.11222677109216139	Different Group
[P28482, P35968]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	P28482	5.213248577854439	5.074172425375258	0.13907615247918148	Different Group
[P28482, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35968	P28482	5.2247537402597635	4.0	1.2247537402597635	Different Group
[P28482, P35968]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P35968	P28482	6.180456064458132	5.3979400086720375	0.7825160557860942	Different Group
[P28482, P35968]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P35968	P28482	5.187086643357144	4.698970004336019	0.48811663902112556	Different Group
[P35968, Q02763]	CC(=NO)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	9.0	7.356547323513813	1.643452676486187	Different Family
[P35968, Q02763]	CC(=NOC(C)(C)C)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	7.508638306165727	7.031517051446065	0.4771212547196617	Different Family
[P35968, Q02763]	CC(=NOC)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	9.0	7.1487416512809245	1.8512583487190755	Different Family
[P35968, Q02763]	CC(=NOC)c1ccc2c(c1)c3c4c(c-5c(c3n2C)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.301029995663981	6.459670525209126	1.8413594704548553	Different Family
[P35968, Q02763]	CC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.585026652029182	8.533256356075647	0.051770295953534884	Different Family
[P35968, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	Q02763	5.356547323513812	4.958607314841775	0.3979400086720375	Different Family
[P35968, Q02763]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Cl	P35968	Q02763	5.5718652059712115	5.154901959985743	0.4169632459854684	Different Family
[P35968, Q02763]	CC(C)(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P35968	Q02763	5.640164517660112	5.5718652059712115	0.06829931168890013	Different Family
[P35968, Q02763]	CC(C)(CC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC(CC4)N5CCN(CC5)C)N)c6ccccc6	P35968	Q02763	4.460923901207224	6.040958607678906	1.5800347064716824	Different Family
[P35968, Q02763]	CC(C)C(=NOC)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.397940008672037	6.578396073130169	1.8195439355418683	Different Family
[P35968, Q02763]	CC(C)CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.113509274827518	7.6777807052660805	0.5642714304385628	Different Family
[P35968, Q02763]	CC(C)CON=C(C)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.198970004336019	8.0	0.19897000433601875	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC(C)C)C	P35968	Q02763	7.953289157418882	7.2839966563652006	0.6692925010536817	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC)C	P35968	Q02763	8.27642098432889	7.522878745280337	0.7535422390485529	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOCC(C)C)C	P35968	Q02763	7.026872146400302	7.638272163982407	0.6114000175821053	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.979303657420887	8.522878745280337	0.5435750878594501	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)N	P35968	Q02763	7.958607314841775	7.318758762624412	0.6398485522173623	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)OC	P35968	Q02763	7.7447274948966935	8.522878745280337	0.7781512503836439	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7cccc(c7)OC	P35968	Q02763	7.6020599913279625	8.397940008672037	0.795880017344075	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccccc7OC	P35968	Q02763	7.3872161432802645	8.096910013008056	0.7096938697277917	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)c7ccco7	P35968	Q02763	8.301029995663981	7.698970004336019	0.6020599913279625	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)c7cccs7	P35968	Q02763	8.154901959985743	8.0	0.15490195998574308	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	Q02763	8.397940008672037	7.479303657420887	0.9186363512511502	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	7.443697499232713	7.7447274948966935	0.30102999566398037	Different Family
[P35968, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)Nc7ncccn7	P35968	Q02763	7.200659450546419	6.617982957425132	0.5826764931212871	Different Family
[P35968, Q02763]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	Q02763	5.2839966563652006	4.958607314841775	0.3253893415234259	Different Family
[P35968, Q02763]	CC(C)ON=C(C)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.460409376976187	7.552841968657781	0.9075674083184069	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC(C)C)C	P35968	Q02763	8.178273661756906	7.180456064458132	0.9978175972987744	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC)C	P35968	Q02763	8.397940008672037	7.013228265733755	1.3847117429382827	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.6777807052660805	8.0	0.3222192947339195	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7cccnn7	P35968	Q02763	8.0	6.779891911959945	1.220108088040055	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	Q02763	8.522878745280337	7.119186407719209	1.4036923375611288	Different Family
[P35968, Q02763]	CC(C)n1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	7.356547323513813	6.987162775294828	0.36938454821898503	Different Family
[P35968, Q02763]	CC(C)n1cc(c2c1ncnc2N)c3ccc(cc3)Oc4ccccc4	P35968	Q02763	6.366531544420414	6.366531544420414	0.0	Different Family
[P35968, Q02763]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	P35968	Q02763	5.096910013008056	4.508638306165727	0.5882717068423293	Different Family
[P35968, Q02763]	CCCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.2839966563652006	7.107905397309519	0.17609125905568135	Different Family
[P35968, Q02763]	CCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC)C	P35968	Q02763	7.920818753952375	6.966576244513051	0.9542425094393243	Different Family
[P35968, Q02763]	CCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.809894379144197	8.0	0.19010562085580318	Different Family
[P35968, Q02763]	CCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)N	P35968	Q02763	7.055517327849832	6.638272163982407	0.41724516386742483	Different Family
[P35968, Q02763]	CCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)OC	P35968	Q02763	6.995678626217358	8.154901959985743	1.1592233337683853	Different Family
[P35968, Q02763]	CCCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	7.431798275933005	7.275724130399211	0.15607414553379417	Different Family
[P35968, Q02763]	CCCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P35968	Q02763	7.585026652029182	6.537602002101044	1.0474246499281374	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC)C	P35968	Q02763	9.0	7.522878745280337	1.4771212547196626	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	8.096910013008056	8.522878745280337	0.42596873227228116	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)N	P35968	Q02763	8.045757490560675	7.443697499232713	0.6020599913279616	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)N(C)c7ccccc7	P35968	Q02763	8.154901959985743	8.698970004336019	0.5440680443502757	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7cc(ccc7F)C	P35968	Q02763	7.5376020021010435	9.0	1.4623979978989565	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7cc(ccc7F)C(F)(F)F	P35968	Q02763	6.798602875679548	8.397940008672037	1.5993371329924893	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)Cl	P35968	Q02763	7.318758762624412	8.221848749616356	0.9030899869919438	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)F	P35968	Q02763	7.920818753952375	8.698970004336019	0.7781512503836439	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)N(C)C	P35968	Q02763	7.619788758288394	8.221848749616356	0.6020599913279625	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)OC	P35968	Q02763	7.795880017344075	8.698970004336019	0.9030899869919438	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)SC	P35968	Q02763	7.853871964321762	8.522878745280337	0.6690067809585756	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7cccc(c7)F	P35968	Q02763	7.920818753952375	8.698970004336019	0.7781512503836439	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccccc7	P35968	Q02763	7.795880017344075	8.301029995663981	0.5051499783199063	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccccc7Br	P35968	Q02763	8.0	8.397940008672037	0.3979400086720375	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccccc7Cl	P35968	Q02763	8.045757490560675	8.522878745280337	0.4771212547196626	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccccc7F	P35968	Q02763	8.045757490560675	8.698970004336019	0.653212513775344	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7cccs7	P35968	Q02763	7.6777807052660805	7.721246399047171	0.043465693781090664	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)OC(C)C	P35968	Q02763	8.301029995663981	7.958607314841775	0.3424226808222066	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)OCC	P35968	Q02763	8.698970004336019	7.7447274948966935	0.9542425094393252	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)OCCC	P35968	Q02763	8.522878745280337	8.154901959985743	0.3679767852945943	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Oc7ccc(cc7)F	P35968	Q02763	7.337242168318426	7.958607314841775	0.621365146523349	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Oc7ccc(cc7)OC	P35968	Q02763	7.920818753952375	8.301029995663981	0.38021124171160636	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)c7ccco7	P35968	Q02763	8.522878745280337	7.5376020021010435	0.9852767431792939	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)c7cccs7	P35968	Q02763	8.397940008672037	7.920818753952375	0.4771212547196626	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncc(cn7)CC	P35968	Q02763	8.045757490560675	8.397940008672037	0.3521825181113627	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	Q02763	8.221848749616356	7.568636235841013	0.6532125137753431	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	7.698970004336019	7.619788758288394	0.07918124604762511	Different Family
[P35968, Q02763]	CCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)CC=C(C4)C=N)NC(=O)Nc6ccc(cc6)C	P35968	Q02763	8.096910013008056	8.522878745280337	0.42596873227228116	Different Family
[P35968, Q02763]	CCN(CC)CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.795880017344075	6.847711655616943	0.9481683617271317	Different Family
[P35968, Q02763]	CCOC(=O)c1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P35968	Q02763	6.537602002101044	6.292429823902063	0.24517217819898107	Different Family
[P35968, Q02763]	CCOCCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	7.657577319177793	7.769551078621726	0.11197375944393251	Different Family
[P35968, Q02763]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	Q02763	5.275724130399211	4.619788758288394	0.6559353721108172	Different Family
[P35968, Q02763]	CCON=C(C)c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.548455006504028	7.638272163982407	0.9101828425216212	Different Family
[P35968, Q02763]	CCON=C(C)c1ccc2c(c1)c3c4c(c-5c(c3n2C(C)C)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.397940008672037	7.585026652029182	0.8129133566428557	Different Family
[P35968, Q02763]	CCON=C(C)c1ccc2c(c1)c3c4c(c-5c(c3n2CC(C)C)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.397940008672037	7.6020599913279625	0.795880017344075	Different Family
[P35968, Q02763]	CCON=C(c1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4)C(C)C	P35968	Q02763	7.638272163982407	7.036212172654444	0.6020599913279625	Different Family
[P35968, Q02763]	CCON=Cc1ccc2c(c1)c3c4c(c-5c(c3[nH]2)CCc6c5cn(n6)C)C(=O)NC4	P35968	Q02763	8.397940008672037	6.578396073130169	1.8195439355418683	Different Family
[P35968, Q02763]	CCc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C	P35968	Q02763	7.585026652029182	6.468521082957745	1.1165055690714372	Different Family
[P35968, Q02763]	CCc1cccc(c1)NC(=O)Nc2ccc(cc2)Oc3ccc4c(c3)[nH]c(n4)NC(=O)OC	P35968	Q02763	8.537602002101044	7.25713928675921	1.2804627153418346	Different Family
[P35968, Q02763]	CCc1cnc(nc1)Nc2ccc3c(c2)c4c5c(c-6c(c4n3CC(C)C)CCc7c6cn(n7)C)C(=O)NC5	P35968	Q02763	7.853871964321762	8.0	0.14612803567823818	Different Family
[P35968, Q02763]	CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOC)C	P35968	Q02763	8.397940008672037	6.522878745280337	1.8750612633917	Different Family
[P35968, Q02763]	CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C(=NOCC(C)C)C	P35968	Q02763	8.071333751784366	7.346787486224656	0.7245462655597095	Different Family
[P35968, Q02763]	CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)C7CCCCO7	P35968	Q02763	8.221848749616356	7.853871964321762	0.3679767852945943	Different Family
[P35968, Q02763]	CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)NC(=O)Nc7ccc(cc7)OC	P35968	Q02763	7.958607314841775	8.397940008672037	0.43933269383026285	Different Family
[P35968, Q02763]	CCn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	8.045757490560675	7.055517327849832	0.990240162710843	Different Family
[P35968, Q02763]	CN(C)C1CCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	Q02763	5.786744369317713	6.755724641749778	0.9689802724320646	Different Family
[P35968, Q02763]	CN(C)C1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	Q02763	6.769551078621726	6.2076083105017466	0.5619427681199793	Different Family
[P35968, Q02763]	CN(C)CCCN(C)c1ccc(cc1NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P35968	Q02763	7.958607314841775	8.096910013008056	0.1383026981662816	Different Family
[P35968, Q02763]	CN(C)c1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)N	P35968	Q02763	6.455931955649724	6.221848749616356	0.23408320603336819	Different Family
[P35968, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)Nc6ccccc6)c(ncn4)N	P35968	Q02763	6.580044251510242	6.0301183562535	0.5499258952567416	Different Family
[P35968, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)OCc6ccccc6)c(ncn4)N	P35968	Q02763	4.467247488450805	6.283162276700476	1.8159147882496711	Different Family
[P35968, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)NCc6cc7ccccc7[nH]6)c(ncn4)N	P35968	Q02763	6.361510743045363	6.692503962086787	0.3309932190414244	Different Family
[P35968, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Nc6ccccc6)c(ncn4)N	P35968	Q02763	5.419075024324381	6.217527375833714	0.7984523515093329	Different Family
[P35968, Q02763]	CN1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(cc5)Oc6ccccc6)c(ncn4)N	P35968	Q02763	5.274088367704952	6.1249387366083	0.8508503689033482	Different Family
[P35968, Q02763]	CN1CCN(CC1)CC(=O)Nc2[nH]c3cc(ccc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	8.823908740944319	8.26947595416467	0.5544327867796479	Different Family
[P35968, Q02763]	CN1CCN(CC1)CCNc2[nH]c3cc(ccc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	7.481486060122113	6.626294096056789	0.855191964065324	Different Family
[P35968, Q02763]	CN1CCN(CC1)Cc2ccc-3c(c2)Cc4c3[nH]nc4c5cc(sc5)C#CCOc6ccccc6	P35968	Q02763	7.809894379144197	5.337242168318426	2.472652210825771	Different Family
[P35968, Q02763]	CN1CCN(CC1)Cc2ccc3c(c2)-c4c(c(n[nH]4)c5ccsc5)C3	P35968	Q02763	6.7447274948966935	4.320635707655532	2.424091787241162	Different Family
[P35968, Q02763]	CN1CCN(CC1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	Q02763	5.958607314841775	7.4808886808156405	1.5222813659738659	Different Family
[P35968, Q02763]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P35968	Q02763	7.403512866263456	6.142788157683108	1.260724708580348	Different Family
[P35968, Q02763]	CNC1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	Q02763	5.995678626217358	7.719449308175472	1.723770681958114	Different Family
[P35968, Q02763]	CNc1nccc(n1)c2cccnc2Oc3cc(ccc3Cl)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P35968	Q02763	6.170696227168975	7.220046687481943	1.0493504603129686	Different Family
[P35968, Q02763]	CNc1nccc(n1)c2cccnc2Oc3cc(ccc3F)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P35968	Q02763	5.698970004336019	7.093209505715905	1.3942395013798858	Different Family
[P35968, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	Q02763	5.107905397309519	7.365243527891042	2.257338130581523	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2c(n1)ccc(n2)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.638272163982407	8.219449308175472	0.4188228558069351	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.585026652029182	7.958607314841775	0.37358066281259283	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(c[n+]3[O-])NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	6.638272163982407	6.802336803465325	0.16406463948291794	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)CC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.795880017344075	5.267606240177032	2.528273777167043	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4Cl)C(F)(F)F	P35968	Q02763	8.481486060122112	8.100329725273209	0.3811563348489031	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)F	P35968	Q02763	8.119186407719209	6.778838522127213	1.3403478855919957	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)N	P35968	Q02763	6.721246399047171	5.6595558851598815	1.0616905138872896	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	8.301029995663981	8.434511654197191	0.13348165853320992	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Cl	P35968	Q02763	8.200659450546418	7.349485002168009	0.8511744483784085	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)SC	P35968	Q02763	8.267606240177031	7.244191989715431	1.0234142504615997	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)SC(F)(F)F	P35968	Q02763	8.886056647693163	7.693608071640132	1.1924485760530308	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=S)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	6.978810700930062	5.831170554486929	1.1476401464431332	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cn3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.795880017344075	7.395242492728684	0.4006375246153908	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.0	7.559593203859604	0.4404067961403957	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(ccc2n1)[S+](c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F)[O-]	P35968	Q02763	5.022276394711152	7.19149982943955	2.169223434728398	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2cc(cnc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.267606240177031	6.963507627686035	1.3040986124909963	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.455931955649724	8.110815828322064	0.3451161273276604	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35968	Q02763	8.958607314841775	7.99148333035061	0.967123984491165	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4ccccc4	P35968	Q02763	7.494850021680094	5.494850021680094	2.0	Different Family
[P35968, Q02763]	COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3cccc(c3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.769551078621726	7.322178474889565	0.4473726037321608	Different Family
[P35968, Q02763]	COC(=O)Nc1cn2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.468521082957745	8.64621491195103	0.17769382899328612	Different Family
[P35968, Q02763]	COC(=O)Nc1nc2ccc(cc2o1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.318758762624412	8.241204134644047	0.07755462798036561	Different Family
[P35968, Q02763]	COC(=O)Nc1nc2ccc(cc2s1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.67778070526608	8.164877073462938	0.5129036318031428	Different Family
[P35968, Q02763]	COCCOCC#Cc1cc(cs1)c2c3c([nH]n2)-c4cc(ccc4C3)Cn5cncn5	P35968	Q02763	8.048455006504028	5.0915149811213505	2.9569400253826776	Different Family
[P35968, Q02763]	COCCOCC(=O)Nc1[nH]c2cc(ccc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	8.267606240177031	8.537860356969059	0.27025411679202804	Different Family
[P35968, Q02763]	COCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	Q02763	5.638272163982407	4.6020599913279625	1.0362121726544444	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	Q02763	4.958607314841775	4.468521082957745	0.49008623188403	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35968	Q02763	7.508638306165727	5.2839966563652006	2.2246416498005264	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35968	Q02763	5.376750709602099	4.6020599913279625	0.7746907182741367	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35968	Q02763	5.508638306165727	4.585026652029182	0.9236116541365451	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35968	Q02763	5.795880017344075	4.958607314841775	0.8372727025023003	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	Q02763	5.823908740944319	5.769551078621726	0.05435766232259276	Different Family
[P35968, Q02763]	COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4cccc(c4)C(=O)Nc5ccc(cc5)Oc6ccccc6	P35968	Q02763	7.42021640338319	7.070581074285707	0.34963532909748274	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)N	P35968	Q02763	7.236572006437063	6.560667306169737	0.675904700267326	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)NC5CCCCC5	P35968	Q02763	6.730487055782084	7.229147988357856	0.49866093257577226	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5c(cccc5F)C(F)(F)F	P35968	Q02763	8.522878745280337	8.698970004336019	0.17609125905568135	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	8.522878745280337	8.449814727441218	0.07306401783911909	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)N	P35968	Q02763	5.950781977329818	6.0	0.04921802267018194	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c3c(ncnc3oc2c4cccc(c4)C(=O)N)N	P35968	Q02763	6.7447274948966935	6.267606240177032	0.4771212547196617	Different Family
[P35968, Q02763]	COc1ccc(cc1)c2c3c(ncnc3oc2c4cccc(c4)NS(=O)(=O)C)N	P35968	Q02763	7.187086643357144	6.522878745280337	0.6642078980768069	Different Family
[P35968, Q02763]	CS(=O)(=O)Nc1cccc(c1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)c5ccccc5	P35968	Q02763	7.443697499232713	6.721246399047171	0.722451100185542	Different Family
[P35968, Q02763]	CS(=O)(=O)Nc1nc2ccc(cc2s1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	5.3979400086720375	5.494850021680094	0.09691001300805624	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(cc(c4)Cl)Cl	P35968	Q02763	6.795880017344075	6.443697499232713	0.3521825181113618	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.263621775341393	7.769551078621726	0.5059293032803325	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Br	P35968	Q02763	6.920818753952375	5.958607314841775	0.9622114391106003	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)Cl	P35968	Q02763	7.017728766960432	5.920818753952375	1.0969100130080571	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)F	P35968	Q02763	7.2839966563652006	6.070581074285707	1.2134155820794934	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccc(cc4)OC	P35968	Q02763	7.161150909262744	5.795880017344075	1.3652708919186693	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Br	P35968	Q02763	7.337242168318426	6.886056647693163	0.4511855206252626	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	7.6419983281826	7.0	0.6419983281826003	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)Cl	P35968	Q02763	7.5043869621537524	6.6777807052660805	0.826606256887672	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)F	P35968	Q02763	7.267606240177032	6.3979400086720375	0.8696662315049943	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4cccc(c4)OC	P35968	Q02763	7.468521082957745	6.443697499232713	1.0248235837250315	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4	P35968	Q02763	7.721848749616356	5.920818753952375	1.8010299956639813	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4Cl	P35968	Q02763	6.468521082957745	6.045757490560675	0.42276359239706984	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4F	P35968	Q02763	6.958607314841775	6.0	0.9586073148417746	Different Family
[P35968, Q02763]	Cc1c(c2c(ncnc2s1)N)c3ccc(cc3)NC(=O)Nc4ccccc4OC	P35968	Q02763	6.958607314841775	6.036212172654444	0.9223951421873302	Different Family
[P35968, Q02763]	Cc1cc(c(nc1)Oc2cccc(c2C)C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F)c5ccnc(n5)NC	P35968	Q02763	5.585026652029182	6.411168274405793	0.8261416223766114	Different Family
[P35968, Q02763]	Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C)C	P35968	Q02763	7.920818753952375	6.769551078621726	1.151267675330649	Different Family
[P35968, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)F	P35968	Q02763	7.887345359137068	7.721246399047171	0.16609896008989722	Different Family
[P35968, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P35968	Q02763	8.349680610785484	6.769551078621726	1.5801295321637578	Different Family
[P35968, Q02763]	Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P35968	Q02763	7.275724130399211	6.050609993355088	1.2251141370441232	Different Family
[P35968, Q02763]	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	P35968	Q02763	5.795880017344075	5.154901959985743	0.6409780573583319	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2cc3ccccc3nc2)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	9.0	8.0	1.0	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2ccc(nc2)C(=O)NC)C(=O)Nc3cccc(c3)C(F)(F)F	P35968	Q02763	6.772113295386326	6.205511953340831	0.5666013420454954	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2ccc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P35968	Q02763	9.0	8.522878745280337	0.4771212547196626	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	Q02763	8.638272163982407	8.657577319177793	0.019305155195386448	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cccc(c3)C(F)(F)F	P35968	Q02763	8.698970004336019	8.522878745280337	0.17609125905568135	Different Family
[P35968, Q02763]	Cc1ccc(cc1C#Cc2cnc3ccccc3n2)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	8.397940008672037	7.070581074285707	1.3273589343863303	Different Family
[P35968, Q02763]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C	P35968	Q02763	8.698970004336019	9.0	0.30102999566398125	Different Family
[P35968, Q02763]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(ccc4OC)C(F)(F)F	P35968	Q02763	7.236572006437063	7.366531544420414	0.1299595379833507	Different Family
[P35968, Q02763]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4ccc(cc4)C(F)(F)F	P35968	Q02763	6.752026733638194	6.297569463554475	0.4544572700837186	Different Family
[P35968, Q02763]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	8.397940008672037	8.397940008672037	0.0	Different Family
[P35968, Q02763]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4ccccc4	P35968	Q02763	6.361510743045363	5.913640169325252	0.4478705737201114	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccnc(c3)NC)NC(=O)c4cccc(c4)OC(C(F)F)(F)F	P35968	Q02763	6.0254883072626715	7.886056647693163	1.8605683404304916	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4OC)C5CCCCC5	P35968	Q02763	7.154901959985743	8.096910013008056	0.9420080530223132	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccncn3)C(=O)Nc4cc(ccc4N5CCCCC5)C(F)(F)F	P35968	Q02763	5.886056647693163	6.436518914605589	0.550462266912426	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccncn3)C(=O)Nc4cc(ccc4OC)C(F)(F)F	P35968	Q02763	7.0	6.987162775294828	0.012837224705172012	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccncn3)C(=O)Nc4ccc(cc4)C(F)(F)F	P35968	Q02763	6.151810883008602	5.568636235841013	0.5831746471675885	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ccncn3)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	7.229147988357856	6.815308569182402	0.41383941917545464	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F	P35968	Q02763	5.3979400086720375	7.041509976339809	1.643569967667771	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	7.013228265733755	7.710108201691595	0.6968799359578401	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)NC(=O)c4cccc(c4)OC(C(F)F)(F)F	P35968	Q02763	5.366531544420414	7.481486060122113	2.114954515701699	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)NC(=O)c4cccc(c4)OC(F)(F)F	P35968	Q02763	6.267606240177032	7.823908740944319	1.5563025007672868	Different Family
[P35968, Q02763]	Cc1ccc(cc1Oc2c(cccn2)c3ncnc(n3)NC)NC(=O)c4cccc(c4)n5cccc5	P35968	Q02763	4.6020599913279625	7.638272163982407	3.0362121726544444	Different Family
[P35968, Q02763]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	Q02763	8.698970004336019	9.0	0.30102999566398125	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P35968	Q02763	8.372363747448347	6.958607314841775	1.4137564326065721	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N	P35968	Q02763	7.769551078621726	6.920818753952375	0.848732324669351	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)N(C)C	P35968	Q02763	6.6777807052660805	6.853871964321762	0.17609125905568135	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCC(=O)NC	P35968	Q02763	6.481486060122113	6.327902142064283	0.15358391805783	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCCO	P35968	Q02763	7.823908740944319	6.958607314841775	0.865301426102544	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCN(C)C	P35968	Q02763	6.638272163982407	6.721246399047171	0.0829742350647642	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCO	P35968	Q02763	7.721246399047171	6.585026652029182	1.1362197470179893	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CCOC	P35968	Q02763	7.1938200260161125	6.657577319177793	0.5362427068383191	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCN(CC5)C	P35968	Q02763	6.229147988357856	6.200659450546418	0.02848853781143834	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)CN5CCOCC5	P35968	Q02763	6.6777807052660805	6.366531544420414	0.3112491608456667	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5ccccc5	P35968	Q02763	6.552841968657781	6.055517327849832	0.4973246408079488	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5cccnc5	P35968	Q02763	7.468521082957745	6.6020599913279625	0.8664610916297821	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)Cc5ccncc5	P35968	Q02763	7.275724130399211	6.568636235841013	0.7070878945581978	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sc3C(C)C)N	P35968	Q02763	6.886056647693163	6.236572006437063	0.6494846412561	Different Family
[P35968, Q02763]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncn4)N	P35968	Q02763	8.761439372640169	6.139672321724138	2.6217670509160307	Different Family
[P35968, Q02763]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	Q02763	6.853871964321762	6.698970004336019	0.15490195998574308	Different Family
[P35968, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P35968	Q02763	6.255707016877324	6.168770306132936	0.08693671074438747	Different Family
[P35968, Q02763]	Cc1ccccc1NC(=O)Nc2ccc(cc2)c3c(sc4c3c(ncn4)N)C	P35968	Q02763	6.585026652029182	5.886056647693163	0.6989700043360187	Different Family
[P35968, Q02763]	Cn1c2c(cn1)-c3c(c4c(c5cc(ccc5[nH]4)C6CCCCO6)c7c3C(=O)NC7)CC2	P35968	Q02763	8.096910013008056	6.145693958198919	1.9512160548091373	Different Family
[P35968, Q02763]	Cn1c2c(cn1)-c3c(c4c(c5cc(ccc5n4C6CCCC6)C7CCCCO7)c8c3C(=O)NC8)CC2	P35968	Q02763	7.187086643357144	6.522878745280337	0.6642078980768069	Different Family
[P35968, Q02763]	Cn1c2c(cn1)-c3c(c4c(c5cc(ccc5n4CCO)C6CCCCO6)c7c3C(=O)NC7)CC2	P35968	Q02763	8.154901959985743	6.455931955649724	1.6989700043360187	Different Family
[P35968, Q02763]	Cn1c2cc(ccc2nc1NC(=O)OC)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.568636235841013	7.30453244644831	0.26410378939270274	Different Family
[P35968, Q02763]	Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cnn(c6CC4)C)C7CCCCO7	P35968	Q02763	7.657577319177793	6.2564902352715706	1.4010870839062228	Different Family
[P35968, Q02763]	Cn1c2ccc(cc2nc1NC(=O)OC)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	6.376750709602099	5.251811972993799	1.1249387366083	Different Family
[P35968, Q02763]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35968	Q02763	4.508638306165727	4.318758762624412	0.18987954354131453	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3[nH]c6c5cc(cc6)C7CCCCO7)CNC4=O	P35968	Q02763	8.301029995663981	7.356547323513813	0.9444826721501682	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3[nH]c6c5cc(cc6)C=NOC)CNC4=O	P35968	Q02763	7.7447274948966935	6.8297382846050425	0.914989210291651	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)C)CNC4=O	P35968	Q02763	7.823908740944319	7.3872161432802645	0.4366925976640541	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)C8CCCC8)CNC4=O	P35968	Q02763	7.259637310505756	7.3872161432802645	0.12757883277450865	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)C8CCCCC8)CNC4=O	P35968	Q02763	7.356547323513813	6.991399828238082	0.365147495275731	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)CC8CCCCC8)CNC4=O	P35968	Q02763	6.826813731587726	6.328827157284917	0.4979865743028089	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)CC=C)CNC4=O	P35968	Q02763	7.7447274948966935	8.045757490560675	0.30102999566398125	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)CCCO)CNC4=O	P35968	Q02763	7.795880017344075	7.795880017344075	0.0	Different Family
[P35968, Q02763]	Cn1cc-2c(n1)CCc3c2c4c(c5c3n(c6c5cc(cc6)C7CCCCO7)CCO)CNC4=O	P35968	Q02763	8.522878745280337	7.568636235841013	0.9542425094393243	Different Family
[P35968, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	Q02763	6.102372908709558	6.585026652029182	0.48265374331962363	Different Family
[P35968, Q02763]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCC(C4)N)C(F)(F)F)F	P35968	Q02763	6.096910013008056	7.6837713539076375	1.5868613408995813	Different Family
[P35968, Q02763]	c1cc(c(cc1C#Cc2cnc(nc2)N)C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F)F	P35968	Q02763	6.318758762624412	7.71356419889976	1.3948054362753473	Different Family
[P35968, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	Q02763	5.920818753952375	6.096910013008056	0.17609125905568135	Different Family
[P35968, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	Q02763	6.221848749616356	6.221848749616356	0.0	Different Family
[P35968, Q02763]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P35968	Q02763	6.795880017344075	6.130768280269024	0.6651117370750512	Different Family
[P35968, Q02763]	c1cc(cc(c1)Cl)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	Q02763	6.0301183562535	5.659952682338607	0.37016567391489374	Different Family
[P35968, Q02763]	c1cc(cc(c1)NC(=O)Nc2c(cccc2F)F)C(=O)c3cn(c4c3c(ncn4)N)C5CCCC5	P35968	Q02763	5.508638306165727	6.442492798094342	0.9338544919286154	Different Family
[P35968, Q02763]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)c3c4c(ncnc4sn3)N)C(F)(F)F	P35968	Q02763	8.34948500216801	7.552841968657781	0.7966430335102288	Different Family
[P35968, Q02763]	c1cc(cc(c1)NC(=O)c2cc(ccc2F)C#Cc3cnc(nc3)N)C(F)(F)F	P35968	Q02763	8.221848749616356	7.327902142064283	0.8939466075520732	Different Family
[P35968, Q02763]	c1cc(cc(c1)S(=O)(=O)N)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	Q02763	8.3767507096021	7.769551078621726	0.6071996309803733	Different Family
[P35968, Q02763]	c1cc(ccc1c2c3c(ncnc3sn2)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	P35968	Q02763	7.795880017344075	7.657577319177793	0.1383026981662816	Different Family
[P35968, Q02763]	c1cc(cnc1)C(=O)Nc2[nH]c3cc(ccc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	7.782516055786094	7.747425010840047	0.03509104494604731	Different Family
[P35968, Q02763]	c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	8.292429823902063	8.245802483433472	0.04662734046859107	Different Family
[P35968, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	Q02763	5.886056647693163	5.7447274948966935	0.14132915279646951	Different Family
[P35968, Q02763]	c1ccc(c(c1)c2ccc[nH]2)C(=O)Nc3[nH]c4cc(ccc4n3)Oc5ccc(cc5)NC(=O)Nc6cc(ccc6F)C(F)(F)F	P35968	Q02763	6.292429823902063	5.886056647693163	0.40637317620890023	Different Family
[P35968, Q02763]	c1ccc(cc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	P35968	Q02763	7.376750709602099	7.403437700822769	0.026686991220669753	Different Family
[P35968, Q02763]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P35968	Q02763	5.366531544420414	5.050609993355088	0.31592155106532616	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2ccc(cc2)Nc3c4ccccc4ncn3	P35968	Q02763	5.565431095965802	4.747875447494356	0.8175556484714459	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CC(C(C5)O)O	P35968	Q02763	6.568636235841013	6.823908740944319	0.25527250510330557	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCC(C5)O	P35968	Q02763	7.070581074285707	7.2343314452409855	0.16375037095527833	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	P35968	Q02763	5.5783586887380725	5.372863761339187	0.20549492739888553	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5O	P35968	Q02763	6.0	6.221848749616356	0.22184874961635614	Different Family
[P35968, Q02763]	c1ccc(cc1)Oc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CCCC5	P35968	Q02763	5.1487416512809245	5.468521082957745	0.3197794316768201	Different Family
[P35968, Q02763]	c1ccc(cc1)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	Q02763	7.522878745280337	7.337242168318426	0.18563657696191171	Different Family
[P21802, P35968]	CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C	P35968	P21802	8.110924374808178	8.698970004336019	0.5880456295278407	Different Family
[P21802, P35968]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	P35968	P21802	7.619788758288394	6.031517051446065	1.5882717068423284	Different Family
[P21802, P35968]	CCN1CCN(CC1)c2ccc3c(c2)ncnc3Nc4cc([nH]n4)CCc5c(c(cc(c5Cl)OC)OC)Cl	P35968	P21802	7.756961951313706	9.18837535480105	1.431413403487344	Different Family
[P21802, P35968]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P35968	P21802	7.989405350465031	7.431798275933005	0.5576070745320258	Different Family
[P21802, P35968]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	P35968	P21802	7.6777807052660805	6.565431095965801	1.1123496093002796	Different Family
[P21802, P35968]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P35968	P21802	7.667561540084395	9.397940008672037	1.7303784685876424	Different Family
[P21802, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P21802	5.375717904164332	6.585026652029182	1.20930874786485	Different Family
[P21802, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	P21802	8.638272163982407	8.823908740944319	0.18563657696191171	Different Family
[P21802, P35968]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P35968	P21802	8.051220962623397	8.698970004336019	0.6477490417126219	Different Family
[P21802, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35968	P21802	7.356547323513813	7.4089353929735005	0.052388069459687436	Different Family
[P21802, P35968]	c1cc(cc(c1)Cl)Nc2cncc(n2)c3cc(cnc3)NCCCO	P35968	P21802	7.075720713938118	6.6777807052660805	0.3979400086720375	Different Family
[P21802, P35968]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	P21802	5.1487416512809245	5.568636235841013	0.41989458456008855	Different Family
[P35968, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C#N)C1	P35968	Q9UM73	7.698970004336019	5.795880017344075	1.9030899869919438	Different Group
[P35968, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)C(F)(F)F)C1	P35968	Q9UM73	6.494850021680094	5.022276394711152	1.4725736269689413	Different Group
[P35968, Q9UM73]	CC(=O)N1CCc2c(cc([nH]2)C=C3c4cc(ccc4NC3=O)OC)C1	P35968	Q9UM73	6.6777807052660805	5.823908740944319	0.8538719643217618	Different Group
[P35968, Q9UM73]	CC(=O)Nc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P35968	Q9UM73	8.154901959985743	6.6777807052660805	1.4771212547196626	Different Group
[P35968, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P35968	Q9UM73	7.7447274948966935	5.346787486224656	2.3979400086720375	Different Group
[P35968, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P35968	Q9UM73	7.920818753952375	6.0655015487564325	1.8553172051959423	Different Group
[P35968, Q9UM73]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P35968	Q9UM73	7.920818753952375	6.252588192113577	1.668230561838798	Different Group
[P35968, Q9UM73]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	Q9UM73	8.397940008672037	6.87942606879415	1.518513939877887	Different Group
[P35968, Q9UM73]	CC(C)Oc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)C)C(=O)N2	P35968	Q9UM73	6.045757490560675	5.481486060122113	0.5642714304385619	Different Group
[P35968, Q9UM73]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35968	Q9UM73	7.657577319177793	7.301029995663981	0.35654732351381213	Different Group
[P35968, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P35968	Q9UM73	5.653647025549361	6.013228265733755	0.35958124018439364	Different Group
[P35968, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	Q9UM73	5.317854923626168	5.6595558851598815	0.34170096153371343	Different Group
[P35968, Q9UM73]	CCOc1cccc2c1c(cn2C)C=C3C(=NNC3=O)c4c(nns4)C	P35968	Q9UM73	7.431956951307951	6.522878745280337	0.9090782060276137	Different Group
[P35968, Q9UM73]	CN1CCC(CC1)Nc2ccc3c(c2)C(=Cc4cc5c([nH]4)CCN(C5)C(=O)N6CCOCC6)C(=O)N3	P35968	Q9UM73	8.522878745280337	7.119186407719209	1.4036923375611288	Different Group
[P35968, Q9UM73]	CN1CCN(CC1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P35968	Q9UM73	8.221848749616356	6.259637310505756	1.9622114391106003	Different Group
[P35968, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P35968	Q9UM73	7.926935982160881	5.638272163982407	2.288663818178474	Different Group
[P35968, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)CCN)C(=O)N2	P35968	Q9UM73	8.096910013008056	6.431798275933005	1.6651117370750512	Different Group
[P35968, Q9UM73]	COc1ccc2c(c1)C(=Cc3cc4c([nH]3)CCN(C4)C(=O)N5CCOCC5)C(=O)N2	P35968	Q9UM73	8.301029995663981	6.180456064458132	2.1205739312058496	Different Group
[P35968, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	Q9UM73	6.494850021680094	6.7447274948966935	0.2498774732165998	Different Group
[P35968, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	Q9UM73	6.4089353929735005	6.6020599913279625	0.19312459835446205	Different Group
[P35968, Q9UM73]	Cc1c(cno1)C(=O)N2CCc3c(cc([nH]3)C=C4c5cc(ccc5NC4=O)OC)C2	P35968	Q9UM73	7.795880017344075	5.853871964321762	1.9420080530223132	Different Group
[P35968, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	Q9UM73	5.2247537402597635	5.29929628285498	0.07454254259521687	Different Group
[P35968, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P35968	Q9UM73	4.578396073130169	5.010550182333308	0.4321541092031387	Different Group
[P35968, Q9UM73]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P35968	Q9UM73	8.154901959985743	6.752026733638194	1.4028752263475495	Different Group
[P35968, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P35968	Q9UM73	5.337242168318426	5.380906669373258	0.043664501054831995	Different Group
[P35968, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P35968	Q9UM73	5.314258261397736	5.360513510731414	0.04625524933367764	Different Group
[P35968, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P35968	Q9UM73	5.221125527997261	5.325138859262188	0.10401333126492762	Different Group
[P35968, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P35968	Q9UM73	5.305394801066432	5.0301183562535	0.27527644481293123	Different Group
[P35968, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P35968	Q9UM73	5.361510743045363	5.1220530483708115	0.23945769467455147	Different Group
[P35968, Q9UM73]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P35968	Q9UM73	5.436518914605589	5.471083299722345	0.03456438511675586	Different Group
[P35968, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	Q9UM73	6.552841968657781	5.478861916295964	1.0739800523618168	Different Group
[P35968, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	Q9UM73	5.301029995663981	5.465907069126919	0.16487707346293767	Different Group
[P35968, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	Q9UM73	6.0	5.789198036565084	0.21080196343491586	Different Group
[P35968, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	Q9UM73	6.356547323513812	6.119186407719209	0.2373609157946035	Different Group
[P35968, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	Q9UM73	5.3872161432802645	5.41369853439507	0.026482391114805104	Different Group
[P35968, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	Q9UM73	5.187086643357144	5.200659450546418	0.013572807189273561	Different Group
[P31749, P35968]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P35968	P31749	5.653647025549361	4.135488918941608	1.5181581066077534	Different Group
[P31749, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	P31749	5.317854923626168	4.315154638355588	1.0027002852705804	Different Group
[P31749, P35968]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P35968	P31749	5.886056647693163	5.585026652029182	0.30102999566398125	Different Group
[P31749, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P31749	5.107905397309519	4.0	1.1079053973095192	Different Group
[P31749, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	P31749	6.494850021680094	5.667561540084395	0.8272884815956987	Different Group
[P31749, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	P31749	6.4089353929735005	5.39040559077478	1.0185298021987208	Different Group
[P31749, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	P31749	5.2247537402597635	4.634512015109101	0.5902417251506629	Different Group
[P31749, P35968]	Cc1c2c(c(sc2[nH]n1)C(=O)N)NC(=O)Nc3ccccc3	P35968	P31749	4.698970004336019	5.045757490560675	0.34678748622465605	Different Group
[P31749, P35968]	Cc1c2c(c(sc2[nH]n1)C(=O)N)NC(=O)c3cccs3	P35968	P31749	5.221848749616356	4.769551078621726	0.45229767099463025	Different Group
[P31749, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P35968	P31749	8.349680610785484	4.301029995663981	4.0486506151215025	Different Group
[P31749, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	P31749	6.102372908709558	5.476253533188435	0.6261193755211227	Different Group
[P31749, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	P31749	5.920818753952375	5.721246399047171	0.19957235490520375	Different Group
[P31749, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	P31749	6.552841968657781	5.268411234813262	1.284430733844519	Different Group
[P31749, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P31749	6.356547323513812	5.154901959985743	1.201645363528069	Different Group
[P31749, P35968]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P35968	P31749	6.113509274827518	6.107905397309519	0.005603877517998512	Different Group
[P31749, P35968]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P35968	P31749	8.113509274827518	7.958607314841775	0.15490195998574308	Different Group
[P31749, P35968]	c1ccc(cc1)CNC(=O)c2cc3c([nH]nc3s2)c4ccccc4	P35968	P31749	6.301029995663981	4.823908740944319	1.4771212547196626	Different Group
[P31749, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35968	P31749	5.2247537402597635	4.413412695328245	0.8113410449315186	Different Group
[P31749, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P31749	5.3872161432802645	5.045757490560675	0.34145865271958975	Different Group
[P31749, P35968]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P35968	P31749	6.180456064458132	7.698970004336019	1.518513939877887	Different Group
[P31749, P35968]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P35968	P31749	5.187086643357144	5.443697499232713	0.25661085587556887	Different Group
[P35968, P36897]	CN(C)CCCOc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P35968	P36897	5.685711339052502	6.000438859087887	0.31472752003538496	Different Group
[P35968, P36897]	CN1CCN(CC1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6c5cccc6	P35968	P36897	5.818156412055227	7.1249387366083	1.3067823245530725	Different Group
[P35968, P36897]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P35968	P36897	5.366531544420414	4.47755576649368	0.888975777926734	Different Group
[P35968, P36897]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N	P35968	P36897	6.354577730650908	7.158640529545145	0.804062798894237	Different Group
[P35968, P36897]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4	P35968	P36897	7.013228265733755	7.983997180562944	0.9707689148291889	Different Group
[P35968, P36897]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	P36897	5.690369832574102	5.402304814074488	0.28806501849961386	Different Group
[P35968, P36897]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P35968	P36897	7.853871964321762	5.478861916295964	2.375010048025798	Different Group
[P35968, P36897]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P35968	P36897	8.774690718274137	4.962573502059376	3.8121172162147605	Different Group
[P35968, P36897]	c1ccc(cc1)c2cnn3c2ncc(c3)c4ccc(cc4)N5CCNCC5	P35968	P36897	6.668167955563751	6.247951552180561	0.4202164033831899	Different Group
[P35968, P36897]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	P36897	6.668167955563751	6.274490773922271	0.3936771816414799	Different Group
[P35968, P36897]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCOCC6	P35968	P36897	5.273272790973428	6.749579997691106	1.4763072067176788	Different Group
[P35968, P36897]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)OCCN6CCOCC6	P35968	P36897	5.616543703475247	5.801893001126598	0.1853492976513511	Different Group
[P09769, P35968]	CC(C)n1c2c(c(n1)c3cc(on3)C4CC4)c(ncn2)N	P35968	P09769	7.017728766960432	7.187086643357144	0.1693578763967123	Different Family
[P09769, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35968	P09769	7.657577319177793	7.481486060122113	0.17609125905568046	Different Family
[P09769, P35968]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	P09769	6.039338878208089	7.366531544420414	1.3271926662123246	Different Family
[P09769, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P09769	5.107905397309519	5.080921907623926	0.026983489685592943	Different Family
[P09769, P35968]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	P09769	5.375717904164332	5.710634048479968	0.33491614431563654	Different Family
[P09769, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P35968	P09769	8.349680610785484	3.3010299956639813	5.0486506151215025	Different Family
[P09769, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P09769	5.301029995663981	5.229147988357856	0.07188200730612504	Different Family
[P09769, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P09769	6.0	5.552841968657781	0.44715803134221943	Different Family
[P09769, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P09769	5.3872161432802645	5.1938200260161125	0.19339611726415207	Different Family
[P09769, P35968]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P35968	P09769	5.187086643357144	5.060480747381382	0.12660589597576255	Different Family
[O14757, P35968]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P35968	O14757	5.121478204498794	6.113509274827518	0.9920310703287241	Different Group
[O14757, P35968]	CCOC(=O)c1c(cn(n1)c2ccc(cc2)Cl)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P35968	O14757	5.542118103266008	6.275724130399211	0.7336060271332032	Different Group
[O14757, P35968]	CCOC(=O)c1c(cn(n1)c2ccccc2)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P35968	O14757	5.6307841425898575	6.173925197299173	0.5431410547093156	Different Group
[O14757, P35968]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(c4c3cccc4)O)c5ccccc5)c6ccccc6	P35968	O14757	5.341035157335565	6.508638306165727	1.1676031488301621	Different Group
[O14757, P35968]	Cc1c(c([nH]c1C(=O)c2coc3c2cc(cc3)O)c4ccccc4)c5ccccc5	P35968	O14757	5.462180904926726	6.346787486224656	0.8846065812979305	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccc(cc5)Cl	P35968	O14757	5.36251027048749	6.6777807052660805	1.3152704347785908	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)C)c5ccccc5	P35968	O14757	5.347753658996677	6.920818753952375	1.5730650949556981	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccc(cc6)Cl	P35968	O14757	5.45717457304082	6.292429823902063	0.835255250861243	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4C(=O)Nc5ccccc5)c6ccccc6	P35968	O14757	5.462180904926726	6.096910013008056	0.6347291080813307	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)C(=O)c4cn(nc4c5ccccc5)c6ccccc6	P35968	O14757	5.6307841425898575	6.040958607678906	0.41017446508904865	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccc(cc6)Cl	P35968	O14757	5.621602099051862	6.267606240177032	0.6460041411251698	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4c5cn(nc5c(nn4)C)c6ccccc6	P35968	O14757	5.462180904926726	6.154901959985743	0.6927210550590175	Different Group
[O14757, P35968]	Cc1c(c(c([nH]1)c2ccccc2)c3ccccc3)c4ccc(c(=O)o4)NC(=O)c5ccccc5	P35968	O14757	5.610833915635467	6.107905397309519	0.4970714816740518	Different Group
[O14757, P35968]	Cc1ccc(cc1)n2cc(c(n2)C(=O)C)C(=O)c3c([nH]c(c3c4ccccc4)c5ccccc5)C	P35968	O14757	5.05700040663396	6.508638306165727	1.4516378995317671	Different Group
[O14757, P35968]	Cc1ccc(cc1)n2cc(c(n2)C(=O)Nc3ccccc3)C(=O)c4c([nH]c(c4c5ccccc5)c6ccccc6)C	P35968	O14757	5.363512103646634	6.096910013008056	0.7333979093614218	Different Group
[O14757, P35968]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c([nH]c(c4c5ccccc5)c6ccccc6)C)C	P35968	O14757	5.360513510731414	6.00436480540245	0.6438512946710366	Different Group
[O14757, P35968]	Cc1ccc(cc1)n2cc3c(n2)c(nnc3c4c[nH]c(c4c5ccccc5)c6ccccc6)O	P35968	O14757	5.492144128304169	6.1249387366083	0.6327946083041311	Different Group
[O14757, P35968]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P35968	O14757	6.795880017344075	5.853871964321762	0.9420080530223132	Different Group
[O14757, P35968]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccc(cc6)Cl	P35968	O14757	5.462180904926726	6.251811972993799	0.7896310680670737	Different Group
[O14757, P35968]	c1ccc(cc1)c2c(c[nH]c2c3ccccc3)c4c5cn(nc5c(nn4)O)c6ccccc6	P35968	O14757	5.462180904926726	6.161150909262744	0.6989700043360187	Different Group
[O14757, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P35968	O14757	7.236572006437063	6.13608262304214	1.1004893833949234	Different Group
[O14757, P35968]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P35968	O14757	6.619788758288394	5.530177984021837	1.089610774266557	Different Group
[O14757, P35968]	c1ccc2c(c1)cc(c(=O)[nH]2)c3cc4ccccc4[nH]3	P35968	O14757	8.096910013008056	6.0	2.0969100130080562	Different Group
[O14965, P35968]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O14965	5.356547323513812	4.522878745280337	0.8336685782334747	Different Group
[O14965, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P35968	O14965	7.920818753952375	6.795880017344075	1.1249387366083	Different Group
[O14965, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P35968	O14965	7.920818753952375	7.275724130399211	0.645094623553164	Different Group
[O14965, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCCC5	P35968	O14965	7.920818753952375	7.327902142064283	0.592916611888092	Different Group
[O14965, P35968]	CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P35968	O14965	7.657577319177793	6.795880017344075	0.8616973018337184	Different Group
[O14965, P35968]	CC(C)(Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC)N)O	P35968	O14965	8.300162274132754	5.441309425467385	2.858852848665369	Different Group
[O14965, P35968]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	O14965	8.397940008672037	7.376750709602099	1.0211892990699383	Different Group
[O14965, P35968]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O14965	5.2839966563652006	4.481486060122113	0.8025105962430876	Different Group
[O14965, P35968]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P35968	O14965	7.657577319177793	7.236572006437063	0.4210053127407303	Different Group
[O14965, P35968]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	P35968	O14965	6.6020599913279625	7.096910013008056	0.49485002168009373	Different Group
[O14965, P35968]	CCCCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P35968	O14965	7.259637310505756	7.42021640338319	0.160579092877434	Different Group
[O14965, P35968]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cc(on5)C6CC6	P35968	O14965	7.823908740944319	7.443697499232713	0.3802112417116055	Different Group
[O14965, P35968]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)Cl	P35968	O14965	7.366531544420414	7.022276394711152	0.3442551497092614	Different Group
[O14965, P35968]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NC(=O)OCc5ccccc5	P35968	O14965	6.920818753952375	6.494850021680094	0.42596873227228116	Different Group
[O14965, P35968]	CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccc(cc4)NS(=O)(=O)c5ccccc5	P35968	O14965	6.769551078621726	7.366531544420414	0.5969804657986879	Different Group
[O14965, P35968]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	O14965	5.275724130399211	4.5376020021010435	0.7381221282981674	Different Group
[O14965, P35968]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCC(C5)N	P35968	O14965	8.154901959985743	7.42021640338319	0.7346855566025532	Different Group
[O14965, P35968]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P35968	O14965	8.0	7.3872161432802645	0.6127838567197355	Different Group
[O14965, P35968]	CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)CC	P35968	O14965	7.6020599913279625	7.494850021680094	0.10720996964786877	Different Group
[O14965, P35968]	CN1CCC(CC1)Oc2ccc(cc2)c3c4cc(ccc4[nH]n3)C(=O)NC(c5ccsc5)C6CCCC6	P35968	O14965	5.5376020021010435	5.698970004336019	0.16136800223497527	Different Group
[O14965, P35968]	CN1CCC(CC1)Oc2ccc(cc2)c3c4cc(ccc4[nH]n3)NC(=O)C(c5ccccn5)C6CCCC6	P35968	O14965	5.823908740944319	5.698970004336019	0.1249387366082999	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P35968	O14965	7.0	6.055517327849832	0.9444826721501682	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P35968	O14965	7.585026652029182	6.481486060122113	1.1035405919070689	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccn5	P35968	O14965	7.136677139879544	6.214670164989233	0.9220069748903112	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5cccnc5	P35968	O14965	6.721246399047171	6.522878745280337	0.19836765376683374	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4cccc(c4)NS(=O)(=O)c5ccccc5	P35968	O14965	6.886056647693163	6.468521082957745	0.4175355647354184	Different Group
[O14965, P35968]	CN1CCN(CC1)c2ccc(cn2)C=Cc3c4ccc(cc4[nH]n3)C=C5c6cc(ccc6NC5=O)OC	P35968	O14965	6.318758762624412	6.431798275933005	0.11303951330859263	Different Group
[O14965, P35968]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	O14965	5.107905397309519	4.6020599913279625	0.5058454059815567	Different Group
[O14965, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O14965	4.958607314841775	5.494850021680094	0.5362427068383191	Different Group
[O14965, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	P35968	O14965	7.508638306165727	4.795880017344075	2.712758288821652	Different Group
[O14965, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35968	O14965	5.376750709602099	4.327902142064283	1.0488485675378163	Different Group
[O14965, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P35968	O14965	5.823908740944319	5.187086643357144	0.6368220975871743	Different Group
[O14965, P35968]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O14965	4.886056647693163	4.795880017344075	0.09017663034908807	Different Group
[O14965, P35968]	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(CO)O)N	P35968	O14965	8.73754891026957	6.244018488604927	2.4935304216646434	Different Group
[O14965, P35968]	Cc1c2c(n[nH]1)Nc3cc(c(cc3C(=N2)c4ccccc4Cl)F)OC	P35968	O14965	8.0	7.236572006437063	0.7634279935629369	Different Group
[O14965, P35968]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	P35968	O14965	8.154901959985743	7.136677139879544	1.018224820106199	Different Group
[O14965, P35968]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P35968	O14965	7.568636235841013	7.161150909262744	0.40748532657826875	Different Group
[O14965, P35968]	Cc1cc(ccc1NC(=O)Nc2cc(on2)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P35968	O14965	7.42021640338319	6.6020599913279625	0.8181564120552274	Different Group
[O14965, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P35968	O14965	8.98052465851433	5.5376020021010435	3.4429226564132867	Different Group
[O14965, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4c(c3)sc(n4)NC(=O)C5CC5	P35968	O14965	8.443697499232712	6.167491087293763	2.276206411938949	Different Group
[O14965, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4c3)NC(=O)C5CC5	P35968	O14965	8.958607314841775	6.769551078621726	2.1890562362200487	Different Group
[O14965, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P35968	O14965	9.106615286088541	6.443697499232713	2.662917786855828	Different Group
[O14965, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P35968	O14965	8.958607314841775	6.920818753952375	2.0377885608893997	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P35968	O14965	7.301029995663981	6.026872146400302	1.2741578492636796	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P35968	O14965	7.0	6.494850021680094	0.5051499783199063	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)Nc4cc(nc(n4)C)N5CCN(CC5)CCO	P35968	O14965	6.920818753952375	7.008773924307505	0.08795517035513001	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P35968	O14965	7.508638306165727	6.920818753952375	0.587819552213352	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P35968	O14965	6.431798275933005	7.6020599913279625	1.1702617153949575	Different Group
[O14965, P35968]	Cc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(nc(n4)C)N5CCN(CC5)C	P35968	O14965	7.823908740944319	7.251811972993799	0.5720967679505193	Different Group
[O14965, P35968]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P35968	O14965	8.349680610785484	6.119186407719209	2.230494203066275	Different Group
[O14965, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5c[nH]nc5)N	P35968	O14965	8.25770773535858	6.4470885497834916	1.8106191855750877	Different Group
[O14965, P35968]	Cc1cccc(c1)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(C)O)N	P35968	O14965	8.795880017344075	6.605005790081489	2.1908742272625856	Different Group
[O14965, P35968]	Cc1cnc(s1)NC(=O)Nc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	P35968	O14965	7.455931955649724	7.187086643357144	0.26884531229258	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCC(CC2)N)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5ccccc5	P35968	O14965	7.275724130399211	6.823908740944319	0.4518153894548922	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P35968	O14965	7.920818753952375	6.920818753952375	1.0	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P35968	O14965	6.508638306165727	6.366531544420414	0.14210676174531311	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCN(CC2)C)Nc3cc(n[nH]3)c4ccc(cc4)NC(=O)Nc5ccccc5	P35968	O14965	6.2076083105017466	6.301029995663981	0.0934216851622347	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P35968	O14965	7.301029995663981	6.309803919971486	0.9912260756924951	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P35968	O14965	6.619788758288394	6.769551078621726	0.14976232033333226	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cc(on5)C(C)(C)C	P35968	O14965	7.070581074285707	6.1487416512809245	0.9218394230047826	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)Nc5cccc(c5)Cl	P35968	O14965	7.42021640338319	6.102372908709558	1.3178434946736317	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCNCC2)Nc3cc(n[nH]3)c4ccc(cc4)CNC(=O)OCc5ccccc5	P35968	O14965	6.721246399047171	6.455931955649724	0.2653144433974468	Different Group
[O14965, P35968]	Cc1nc(cc(n1)N2CCNCC2)Nc3ncc(s3)c4ccc(cc4)NC(=O)Nc5cccc(c5)Cl	P35968	O14965	7.508638306165727	6.568636235841013	0.9400020703247138	Different Group
[O14965, P35968]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P35968	O14965	5.585026652029182	6.1938200260161125	0.6087933739869307	Different Group
[O14965, P35968]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P35968	O14965	6.795880017344075	6.468521082957745	0.32735893438633035	Different Group
[O14965, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35968	O14965	4.823908740944319	5.494850021680094	0.6709412807357751	Different Group
[O14965, P35968]	Cn1cc(cn1)Nc2ncc(c(n2)NC3C4CC(C3C(=O)N)C=C4)Br	P35968	O14965	8.051220962623397	8.522878745280337	0.4716577826569406	Different Group
[O14965, P35968]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P35968	O14965	7.356547323513813	6.537602002101044	0.8189453214127687	Different Group
[O14965, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	O14965	6.102372908709558	5.605548319173784	0.49682458953577413	Different Group
[O14965, P35968]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P35968	O14965	7.045757490560675	6.886056647693163	0.15970084286751174	Different Group
[O14965, P35968]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P35968	O14965	6.142667503568732	5.366531544420414	0.7761359591483181	Different Group
[O14965, P35968]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P35968	O14965	5.431798275933005	6.130768280269024	0.6989700043360187	Different Group
[O14965, P35968]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P35968	O14965	6.698970004336019	6.2441251443275085	0.4548448600085102	Different Group
[O14965, P35968]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P35968	O14965	6.040958607678906	6.568636235841013	0.527677628162107	Different Group
[O14965, P35968]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P35968	O14965	5.585026652029182	4.815308569182402	0.7697180828467802	Different Group
[O14965, P35968]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P35968	O14965	6.0	7.3979400086720375	1.3979400086720375	Different Group
[O14965, P35968]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	P35968	O14965	5.751658843330804	6.258139605934736	0.5064807626039318	Different Group
[O14965, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	O14965	5.920818753952375	7.0	1.079181246047625	Different Group
[O14965, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	O14965	6.221848749616356	5.585026652029182	0.6368220975871743	Different Group
[O14965, P35968]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CCO)N	P35968	O14965	8.649301437839775	5.747181901218205	2.9021195366215693	Different Group
[O14965, P35968]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	O14965	6.356547323513812	5.508638306165727	0.8479090173480852	Different Group
[O14965, P35968]	c1cc(ccc1c2c3cc(ccc3[nH]n2)C(=O)NCC4(CCCCC4)N5CCOCC5)N6CCOCC6	P35968	O14965	5.42021640338319	5.638272163982407	0.21805576059921705	Different Group
[O14965, P35968]	c1cc(ccc1c2c3cc(ccc3[nH]n2)NC(=O)CC4(CCCCC4)N5CCOCC5)N6CCOCC6	P35968	O14965	5.920818753952375	5.6777807052660805	0.24303804868629442	Different Group
[O14965, P35968]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P35968	O14965	6.221848749616356	7.522878745280337	1.3010299956639813	Different Group
[O14965, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	O14965	5.886056647693163	5.4089353929735005	0.4771212547196626	Different Group
[O14965, P35968]	c1ccc(cc1)COC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P35968	O14965	6.431798275933005	6.229147988357856	0.2026502875751488	Different Group
[O14965, P35968]	c1ccc(cc1)NC(=O)NCc2ccc(cc2)c3cc([nH]n3)NC(=O)c4ccc(cc4)OCCN5CCOCC5	P35968	O14965	7.267606240177032	6.119186407719209	1.1484198324578232	Different Group
[O14965, P35968]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P35968	O14965	5.2247537402597635	5.872895201635193	0.6481414613754293	Different Group
[P30530, P35968]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P35968	P30530	6.982966660701219	6.769551078621726	0.2134155820794934	Different Family
[P30530, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	P30530	5.317854923626168	4.882728704344236	0.4351262192819325	Different Family
[P30530, P35968]	CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P35968	P30530	5.4089353929735005	5.040958607678906	0.3679767852945943	Different Family
[P30530, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	P30530	6.494850021680094	6.795880017344075	0.30102999566398125	Different Family
[P30530, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	P30530	6.4089353929735005	6.657577319177793	0.24864192620429293	Different Family
[P30530, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	P30530	5.2247537402597635	5.609064892896621	0.3843111526368572	Different Family
[P30530, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P35968	P30530	4.578396073130169	5.1944991418416	0.6161030687114311	Different Family
[P30530, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P35968	P30530	5.337242168318426	4.8326826652518236	0.5045595030666021	Different Family
[P30530, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P35968	P30530	5.314258261397736	4.694648630553377	0.6196096308443595	Different Family
[P30530, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P35968	P30530	5.221125527997261	4.486782399932061	0.7343431280652002	Different Family
[P30530, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P35968	P30530	5.305394801066432	4.6595558851598815	0.6458389159065501	Different Family
[P30530, P35968]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P35968	P30530	5.361510743045363	4.772113295386326	0.5893974476590369	Different Family
[P30530, P35968]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	P35968	P30530	5.436518914605589	4.8326826652518236	0.6038362493537655	Different Family
[P30530, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P35968	P30530	4.875821944525325	5.494850021680094	0.6190280771547689	Different Family
[P30530, P35968]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P35968	P30530	4.796967112985289	5.399027104313252	0.6020599913279625	Different Family
[P30530, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	P30530	6.552841968657781	6.017728766960432	0.5351132016973486	Different Family
[P30530, P35968]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P30530	5.3872161432802645	5.356547323513812	0.030668819766452415	Different Family
[P15056, P35968]	CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	P35968	P15056	8.920818753952375	7.161150909262744	1.7596678446896306	Different Group
[P15056, P35968]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)C(F)(F)F)Cl)CCO	P35968	P15056	7.040958607678906	6.950781977329818	0.09017663034908807	Different Group
[P15056, P35968]	CCN(CCCOc1ccc2c(c1)ncnc2Nc3cccc(c3)NC(=O)Nc4ccc(c(c4)Cl)F)CCO	P35968	P15056	7.022276394711152	7.657577319177793	0.635300924466641	Different Group
[P15056, P35968]	CCn1c2cc(ncc2cc(c1=O)c3cc(c(cc3C)F)NC(=O)NCCC(C)(C)C)NC	P35968	P15056	7.6020599913279625	7.911099344371969	0.30903935304400676	Different Group
[P15056, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(cc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P35968	P15056	7.769551078621726	6.268411234813262	1.5011398438084642	Different Group
[P15056, P35968]	COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4cccc(c4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	P35968	P15056	6.671620396561262	6.709965388637482	0.038344992076219775	Different Group
[P15056, P35968]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCC(C(C)(C)C)O)F	P35968	P15056	6.1249387366083	7.7266739956596036	1.6017352590513037	Different Group
[P15056, P35968]	Cc1cc(c(cc1c2cc3cnc(cc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P35968	P15056	6.769551078621726	7.541823868539584	0.7722727899178583	Different Group
[P15056, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)N)NC(=O)NCCC(C)(C)C)F	P35968	P15056	6.267606240177032	8.102372908709558	1.8347666685325263	Different Group
[P15056, P35968]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P35968	P15056	5.4089353929735005	7.7502293323700275	2.341293939396527	Different Group
[P15056, P35968]	Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P35968	P15056	8.958607314841775	6.537602002101044	2.4210053127407303	Different Group
[P15056, P35968]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P35968	P15056	8.638272163982407	7.698970004336019	0.9393021596463882	Different Group
[P15056, P35968]	Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	P15056	8.397940008672037	7.823908740944319	0.5740312677277188	Different Group
[P15056, P35968]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cccc(c4)C(F)(F)F	P35968	P15056	9.0	7.568636235841013	1.431363764158987	Different Group
[P15056, P35968]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)Nc3c4cc(c(cc4ncn3)OC)OCCCN5CCOCC5	P35968	P15056	5.067120542176201	6.924453038607469	1.857332496431268	Different Group
[P15056, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	P15056	6.102372908709558	5.7544873321858505	0.34788557652370766	Different Group
[P15056, P35968]	c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)Nc3ccc(nc3)c4[nH]ccn4)Cl)C(F)(F)F)Cl	P35968	P15056	4.730487055782084	6.187086643357144	1.4565995875750604	Different Group
[P15056, P35968]	c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)Nc3ccc(nc3)c4[nH]ccn4)Cl	P35968	P15056	4.6307841425898575	6.274905478918531	1.6441213363286735	Different Group
[P15056, P35968]	c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CCOCC5	P35968	P15056	8.407099132567563	7.366531544420414	1.040567588147149	Different Group
[P15056, P35968]	c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	P35968	P15056	6.795880017344075	7.672779974465254	0.8768999571211786	Different Group
[P15056, P35968]	c1cc(cc(c1)F)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	P35968	P15056	9.0	6.187086643357144	2.8129133566428557	Different Group
[P15056, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P35968	P15056	5.301029995663981	5.229147988357856	0.07188200730612504	Different Group
[P15056, P35968]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P35968	P15056	6.0	5.2076083105017466	0.7923916894982534	Different Group
[P15056, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Nc3c4ccc(cc4ncn3)OCCCN5CCN(CC5)CCO	P35968	P15056	7.1249387366083	6.995678626217358	0.1292601103909421	Different Group
[P15056, P35968]	c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)F)Nc3c4ccc(cc4ncn3)OCCCN5CCOCC5	P35968	P15056	5.664542099310616	7.142667503568732	1.4781254042581162	Different Group
[P15056, P35968]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P35968	P15056	5.3872161432802645	5.6020599913279625	0.21484384804769796	Different Group
[P35968, P54760]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P35968	P54760	5.356547323513812	4.698970004336019	0.6575773191777934	Different Family
[P35968, P54760]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P35968	P54760	6.039338878208089	6.537602002101044	0.49826312389295513	Different Family
[P35968, P54760]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	P54760	5.107905397309519	5.080921907623926	0.026983489685592943	Different Family
[P35968, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	P35968	P54760	5.508638306165727	4.356547323513813	1.152090982651914	Different Family
[P35968, P54760]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	P35968	P54760	5.795880017344075	4.431798275933005	1.36408174141107	Different Family
[P35968, P54760]	Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	P35968	P54760	5.4089353929735005	7.0	1.5910646070264995	Different Family
[P35968, P54760]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	P35968	P54760	6.255707016877324	7.1938200260161125	0.9381130091387888	Different Family
[P35968, P54760]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	P54760	6.102372908709558	5.73754891026957	0.3648239984399879	Different Family
[P35968, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	P54760	5.920818753952375	5.468521082957745	0.45229767099463025	Different Family
[P35968, P54760]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	P54760	6.221848749616356	5.468521082957745	0.7533276666586115	Different Family
[P35968, P54760]	c1cc(cc(c1)Cl)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	P54760	6.0301183562535	6.410050398674292	0.3799320424207915	Different Family
[P35968, P54760]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	P54760	6.356547323513812	8.301029995663981	1.9444826721501691	Different Family
[P35968, P54760]	c1cc(cc(c1)OCC2CCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	P54760	5.180456064458132	5.568636235841013	0.3881801713828814	Different Family
[P35968, P54760]	c1cc(cc(c1)S(=O)(=O)N)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	P54760	8.3767507096021	9.397940008672037	1.0211892990699383	Different Family
[P35968, P54760]	c1cc(cc(c1)S(=O)(=O)N)c2cnc(c3c2scc3c4ccc(c(c4)Cl)F)N	P35968	P54760	5.721246399047171	7.6777807052660805	1.9565343062189093	Different Family
[P35968, P54760]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	P54760	5.886056647693163	5.113509274827518	0.7725473728656453	Different Family
[P35968, P54760]	c1ccc(cc1)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	P35968	P54760	7.522878745280337	7.853871964321762	0.3309932190414244	Different Family
[P35968, P54760]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P35968	P54760	5.3872161432802645	5.638272163982407	0.2510560207021424	Different Family
[P35968, Q06187]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P35968	Q06187	8.397940008672037	7.031517051446065	1.3664229572259723	Different Family
[P35968, Q06187]	CNC(=O)Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)Oc5ccccc5)N	P35968	Q06187	6.546681659952962	7.892790030352131	1.3461083703991692	Different Family
[P35968, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P35968	Q06187	5.107905397309519	4.6020599913279625	0.5058454059815567	Different Family
[P35968, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P35968	Q06187	5.375717904164332	5.473660722610156	0.09794281844582464	Different Family
[P35968, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC)C(=O)Nc4cc(ccc4OC5CCN(CC5)C)C(F)(F)F	P35968	Q06187	7.769551078621726	5.47755576649368	2.291995312128046	Different Family
[P35968, Q06187]	Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F	P35968	Q06187	9.0	6.2636034977233574	2.7363965022766426	Different Family
[P35968, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P35968	Q06187	6.853871964321762	7.0	0.14612803567823818	Different Family
[P35968, Q06187]	Cn1cc(cn1)c2cnc(c3c2scc3c4ccc(cc4)Oc5ccccc5)N	P35968	Q06187	6.464705879957229	6.968995718636463	0.5042898386792336	Different Family
[P35968, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P35968	Q06187	6.356547323513812	6.236572006437063	0.11997531707674902	Different Family
[P35968, Q06187]	c1cc(cc(c1)c2cc3c(s2)c(ccn3)Nc4cccc(c4)O)CN5CCOCC5	P35968	Q06187	8.337242168318426	7.752026733638194	0.5852154346802321	Different Family
[P35968, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	Q06187	5.1487416512809245	5.119186407719209	0.029555243561715905	Different Family
[P35968, Q06187]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	P35968	Q06187	6.718966632752273	7.928117992693875	1.2091513599416022	Different Family
[P35968, P36896]	CN1CCN(CC1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6c5cccc6	P35968	P36896	5.818156412055227	6.73754891026957	0.9193924982143429	Different Group
[P35968, P36896]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P35968	P36896	5.366531544420414	5.735182176990463	0.3686506325700494	Different Group
[P35968, P36896]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N	P35968	P36896	6.354577730650908	6.701146923590294	0.34656919293938593	Different Group
[P35968, P36896]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4	P35968	P36896	7.013228265733755	7.886056647693163	0.8728283819594083	Different Group
[P35968, P36896]	Cc1cccc(n1)c2c(nc([nH]2)Cc3cccc(c3)C(=O)N)c4ccc5c(c4)nccn5	P35968	P36896	5.61261017366127	7.638272163982407	2.0256619903211366	Different Group
[P35968, P36896]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	P36896	5.690369832574102	5.388276691992658	0.30209314058144354	Different Group
[P35968, P36896]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P35968	P36896	7.853871964321762	5.465973893943865	2.387898070377897	Different Group
[P35968, P36896]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P35968	P36896	8.774690718274137	5.226945306635737	3.5477454116383997	Different Group
[P35968, P36896]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	P36896	6.668167955563751	5.738737131207507	0.9294308243562446	Different Group
[P35968, P36896]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCOCC6	P35968	P36896	5.273272790973428	6.486782399932061	1.213509608958633	Different Group
[P35968, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.701146923590294	5.139661993429006	0.5614849301612876	Different Group
[P35968, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P35968	Q86Z02	5.795880017344075	4.882728704344236	0.9131513129998394	Different Group
[P35968, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.688246138944246	5.493494967595128	0.19475117134911812	Different Group
[P35968, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	Q86Z02	5.480172006224281	5.39577394691553	0.084398059308751	Different Group
[P35968, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.053547734986927	4.897909474488164	0.15563826049876361	Different Group
[P35968, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P35968	Q86Z02	4.95663772197887	4.926281649653878	0.03035607232499249	Different Group
[P35968, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.958607314841775	6.035269078946371	0.07666176410459613	Different Group
[P35968, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.686132779630847	5.5638373529592435	0.1222954266716032	Different Group
[P35968, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	4.768020973168496	4.515557792357593	0.2524631808109028	Different Group
[P35968, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P35968	Q86Z02	5.806875401645538	5.586700235918748	0.22017516572678986	Different Group
[P35968, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P35968	Q86Z02	5.213248577854439	5.088842391260023	0.12440618659441594	Different Group
[O60285, P35968]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	O60285	6.096910013008056	6.075720713938118	0.021189299069938272	Different Group
[O60285, P35968]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P35968	O60285	5.920818753952375	5.698970004336019	0.22184874961635614	Different Group
[O60285, P35968]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P35968	O60285	5.317854923626168	4.531652669587842	0.7862022540383258	Different Group
[O60285, P35968]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O60285	4.958607314841775	5.7447274948966935	0.7861201800549189	Different Group
[O60285, P35968]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	P35968	O60285	5.376750709602099	4.468521082957745	0.9082296266443546	Different Group
[O60285, P35968]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	P35968	O60285	4.886056647693163	5.698970004336019	0.8129133566428557	Different Group
[O60285, P35968]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P35968	O60285	6.494850021680094	5.600326278518962	0.8945237431611321	Different Group
[O60285, P35968]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P35968	O60285	6.4089353929735005	5.423658649794207	0.985276743179293	Different Group
[O60285, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P35968	O60285	5.2247537402597635	5.0	0.22475374025976347	Different Group
[O60285, P35968]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P35968	O60285	4.578396073130169	4.525783735923745	0.05261233720642444	Different Group
[O60285, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P35968	O60285	4.823908740944319	5.309803919971486	0.4858951790271675	Different Group
[O60285, P35968]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	P35968	O60285	4.508638306165727	5.443697499232713	0.9350591930669863	Different Group
[O60285, P35968]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P35968	O60285	6.102372908709558	6.292429823902063	0.19005691519250512	Different Group
[O60285, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P35968	O60285	5.920818753952375	5.7447274948966935	0.17609125905568135	Different Group
[O60285, P35968]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P35968	O60285	6.221848749616356	5.769551078621726	0.45229767099463025	Different Group
[O60285, P35968]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P35968	O60285	6.552841968657781	5.293282217663241	1.2595597509945398	Different Group
[O60285, P35968]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P35968	O60285	5.886056647693163	5.494850021680094	0.3912066260130693	Different Group
[P35968, Q04771]	CN(C)CCCOc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P35968	Q04771	5.685711339052502	7.573814174755489	1.8881028357029868	Different Group
[P35968, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4c[nH]nc4	P35968	Q04771	7.886056647693163	6.958607314841775	0.9274493328513884	Different Group
[P35968, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4cccc5c4cccn5	P35968	Q04771	4.705533773838407	7.494850021680094	2.789316247841687	Different Group
[P35968, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P35968	Q04771	5.366531544420414	7.47755576649368	2.111024222073266	Different Group
[P35968, Q04771]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	Q04771	5.690369832574102	7.581698708680254	1.8913288761061526	Different Group
[P35968, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P35968	Q04771	7.853871964321762	7.366531544420414	0.487340419901348	Different Group
[P35968, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P35968	Q04771	8.774690718274137	7.272458742971444	1.502231975302693	Different Group
[P35968, Q04771]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P35968	Q04771	5.1487416512809245	5.5376020021010435	0.38886035082011894	Different Group
[P35968, Q04771]	c1ccc(cc1)c2cnn3c2ncc(c3)c4ccc(cc4)N5CCNCC5	P35968	Q04771	6.668167955563751	7.390192230671298	0.7220242751075467	Different Group
[P35968, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P35968	Q04771	6.668167955563751	7.39040559077478	0.7222376352110285	Different Group
[P35968, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)OCCN6CCOCC6	P35968	Q04771	5.616543703475247	7.368860749743189	1.752317046267942	Different Group
[P48729, P48730]	CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P48729	P48730	5.120330794367947	5.581698708680254	0.4613679143123077	Same Family
[P48729, P48730]	CC(C)(c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N)O	P48729	P48730	5.037157318798758	5.634512015109101	0.5973546963103429	Same Family
[P48729, P48730]	CC1CCC(CC1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	P48729	P48730	5.886056647693163	6.3979400086720375	0.5118833609788744	Same Family
[P48729, P48730]	CNc1nccc(n1)c2c([nH]c(n2)C3CCNCC3)c4cccc(c4)C(F)(F)F	P48729	P48730	5.958607314841775	5.853871964321762	0.10473535052001282	Same Family
[P48729, P48730]	COc1ccc(c(c1)Cl)c2c(sc(n2)c3ccnc(n3)N)C(=O)N	P48729	P48730	6.2636034977233574	6.982966660701219	0.7193631629778618	Same Family
[P48729, P48730]	Cc1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	P48729	P48730	4.705533773838407	5.442492798094342	0.7369590242559356	Same Family
[P48729, P48730]	Cn1cc(cn1)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P48729	P48730	5.450996737974212	5.966576244513051	0.5155795065388382	Same Family
[P48729, P48730]	c1cc(c(cc1Cl)Cl)c2c(sc(n2)c3ccnc(n3)N)C(=O)N	P48729	P48730	6.158640529545145	7.075720713938118	0.9170801843929732	Same Family
[P48729, P48730]	c1cc(c(nc1)F)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P48729	P48730	5.330683119433888	5.787812395596042	0.4571292761621537	Same Family
[P48729, P48730]	c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	P48729	P48730	4.91721462968355	5.238824186844268	0.32160955716071804	Same Family
[P48729, P48730]	c1ccc(cc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P48729	P48730	5.054531414868181	5.498940737782249	0.4444093229140682	Same Family
[P48729, P48730]	c1ccc(cc1)c2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N	P48729	P48730	5.260427655549908	5.661543506395395	0.4011158508454873	Same Family
[O60674, P43403]	CC(CNc1cc2c(c(=O)[nH]cn2)c(n1)Nc3cccc4c3[nH]cc4)N	P43403	O60674	6.351639989019068	6.008773924307505	0.3428660647115631	Different Family
[O60674, P43403]	CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	P43403	O60674	7.376750709602099	8.221848749616356	0.8450980400142569	Different Family
[O60674, P43403]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P43403	O60674	7.275724130399211	9.060955120789046	1.7852309903898353	Different Family
[O60674, P43403]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P43403	O60674	7.058041583469186	9.259637310505756	2.20159572703657	Different Family
[O60674, P43403]	COc1ccc(cc1OC)Nc2nc3c(c(n2)N4CCOCC4)nc[nH]3	P43403	O60674	4.207608310501746	6.958607314841775	2.750999004340029	Different Family
[O60674, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	P43403	O60674	4.268814292366	3.95116991347165	0.3176443788943497	Different Family
[O60674, P43403]	Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CCC(C5)O	P43403	O60674	4.134185619832032	3.7894139750948437	0.3447716447371887	Different Family
[O60674, P43403]	Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	P43403	O60674	3.0018278780605594	3.8594919569618202	0.8576640789012608	Different Family
[O60674, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	O60674	7.481486060122113	6.721246399047171	0.7602396610749418	Different Family
[O60674, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	P43403	O60674	7.327902142064283	6.735182176990463	0.5927199650738197	Different Family
[O60674, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N	P43403	O60674	7.0915149811213505	6.522878745280337	0.5686362358410131	Different Family
[O60674, P43403]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43403	O60674	5.013228265733755	5.940108206919151	0.9268799411853959	Different Family
[O60674, P43403]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P43403	O60674	6.431798275933005	6.619788758288394	0.18799048235538862	Different Family
[O60674, P43403]	Cn1cc2c(n1)cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P43403	O60674	7.7447274948966935	5.823908740944319	1.920818753952375	Different Family
[O60674, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43403	O60674	5.259637310505756	5.251811972993799	0.007825337511956576	Different Family
[O60674, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43403	O60674	5.2839966563652006	5.568636235841013	0.28463957947581253	Different Family
[O60674, P43403]	c1cc(cc(c1)n2nccn2)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	O60674	7.130768280269024	6.920818753952375	0.20994952631664887	Different Family
[O60674, P43403]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O)Cl	P43403	O60674	6.088842391260023	5.7423214251308154	0.3465209661292077	Different Family
[O60674, P43403]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N)Cl	P43403	O60674	6.455931955649724	5.911863911299449	0.5440680443502757	Different Family
[O60674, P43403]	c1cc2c(cc[nH]2)c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	O60674	7.853871964321762	7.080921907623926	0.7729500566978356	Different Family
[O60674, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	O60674	6.876148359032914	6.978810700930062	0.10266234189714751	Different Family
[O60674, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCNC5)nc[nH]c4=O	P43403	O60674	5.522878745280337	6.022276394711152	0.499397649430815	Different Family
[O60674, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	P43403	O60674	6.425968732272281	6.537602002101044	0.1116332698287632	Different Family
[O60674, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P43403	O60674	6.468521082957745	6.167491087293763	0.30102999566398125	Different Family
[O60674, P43403]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43403	O60674	5.1938200260161125	5.327902142064283	0.13408211604817044	Different Family
[O60674, P43403]	c1ccc(cc1)COc2ccc(cc2C=C3C(=O)NN(C3=O)c4ccccc4)Cl	P43403	O60674	4.657577319177793	4.823908740944319	0.16633142176652527	Different Family
[O60674, P43403]	c1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccccc4Cl)C(=O)N2	P43403	O60674	4.853871964321762	5.221848749616356	0.3679767852945943	Different Family
[O60674, P43403]	c1ccc(cc1)c2cc3c(=O)[nH]c(nc3s2)CSc4nnc(s4)NCC5CCCO5	P43403	O60674	5.0655015487564325	5.050609993355088	0.014891555401344903	Different Family
[O60674, P43403]	c1ccc2c(c1)c(=O)[nH]c(n2)CCC(=O)Nc3ncc(s3)Cc4ccc(c(c4)F)F	P43403	O60674	5.3979400086720375	5.431798275933005	0.03385826726096752	Different Family
[O60674, P43403]	c1ccc2c(c1)c3ccc4c(c3o2)C(=NNc5ccncc5)C(=O)N4	P43403	O60674	5.096910013008056	4.958607314841775	0.1383026981662816	Different Family
[P07948, P43403]	CC(CNc1cc2c(c(=O)[nH]cn2)c(n1)Nc3cccc4c3[nH]cc4)N	P43403	P07948	6.351639989019068	7.075720713938118	0.72408072491905	Different Family
[P07948, P43403]	CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	P43403	P07948	7.376750709602099	6.135488918941608	1.2412617906604915	Different Family
[P07948, P43403]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P43403	P07948	7.275724130399211	8.781918676479622	1.506194546080411	Different Family
[P07948, P43403]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P43403	P07948	7.058041583469186	7.614036429399302	0.5559948459301163	Different Family
[P07948, P43403]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P43403	P07948	4.6020599913279625	5.309803919971486	0.7077439286435236	Different Family
[P07948, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	P07948	7.481486060122113	7.356547323513813	0.1249387366082999	Different Family
[P07948, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	P43403	P07948	7.327902142064283	7.161150909262744	0.16675123280153858	Different Family
[P07948, P43403]	Cc1c[nH]c2c1cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N	P43403	P07948	7.0915149811213505	6.259637310505756	0.8318776706155946	Different Family
[P07948, P43403]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P43403	P07948	5.013228265733755	5.856430705489719	0.8432024397559639	Different Family
[P07948, P43403]	Cn1cc2c(n1)cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P43403	P07948	7.7447274948966935	6.721246399047171	1.0234810958495224	Different Family
[P07948, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P43403	P07948	5.259637310505756	5.309803919971486	0.05016660946573026	Different Family
[P07948, P43403]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P43403	P07948	5.2839966563652006	5.468521082957745	0.1845244265925441	Different Family
[P07948, P43403]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O)Cl	P43403	P07948	6.088842391260023	5.998699066979582	0.09014332428044103	Different Family
[P07948, P43403]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N)Cl	P43403	P07948	6.455931955649724	5.7447274948966935	0.7112044607530308	Different Family
[P07948, P43403]	c1cc2c(cc[nH]2)c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	P07948	7.853871964321762	7.494850021680094	0.3590219426416681	Different Family
[P07948, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	P43403	P07948	6.876148359032914	6.950781977329818	0.07463361829690385	Different Family
[P07948, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCNC5)nc[nH]c4=O	P43403	P07948	5.522878745280337	6.501689446210399	0.9788107009300617	Different Family
[P07948, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	P43403	P07948	6.425968732272281	6.638272163982407	0.21230343171012578	Different Family
[P07948, P43403]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	P43403	P07948	6.468521082957745	5.922632094715843	0.5458889882419014	Different Family
[P07948, P43403]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P43403	P07948	5.1938200260161125	5.1249387366083	0.06888128940781257	Different Family
[O60674, P04629]	CC(C(F)(F)F)NC(=O)c1cnn2c1nc(cc2)N3CC(CC3c4cccc(c4)F)O	P04629	O60674	8.508638306165727	6.173925197299173	2.334713108866554	Different Family
[O60674, P04629]	CC(C)(C)NC(=O)c1cnn2c1nc(cc2)N3CCCC3c4cc(cnc4CO)F	P04629	O60674	8.744727494896694	6.060980223551334	2.68374727134536	Different Family
[O60674, P04629]	CC(C)(CF)NC(=O)c1cnn2c1nc(cc2)N3CCCC3c4cc(cnc4CO)F	P04629	O60674	8.939302159646388	6.176525770829699	2.7627763888166896	Different Family
[O60674, P04629]	CC(C)NC(=O)c1cnn2c1nc(cc2)N3CC(CC3c4cccc(c4)F)O	P04629	O60674	8.236572006437063	6.258848401148215	1.9777236052888485	Different Family
[O60674, P04629]	CC(C)NC(=O)c1cnn2c1nc(cc2)N3CCCC3c4cc(cn(c4=O)C)F	P04629	O60674	7.910094888560602	6.350859935855781	1.5592349527048208	Different Family
[O60674, P04629]	CC(C1CC1)NC(=O)c2cnn3c2nc(cc3)N4CCCC4c5cc(cn(c5=O)C)F	P04629	O60674	8.605209643917787	6.4425127940034335	2.1626968499143535	Different Family
[O60674, P04629]	CC(C1CC1)NC(=O)c2cnn3c2nc(cc3)N4CCCC4c5cc(cnc5)F	P04629	O60674	8.408757349932417	6.11975822410452	2.288999125827897	Different Family
[O60674, P04629]	CC1(CC1)NC(=O)c2cnn3c2nc(cc3)N4CCCC4c5cc(cn(c5=O)C)F	P04629	O60674	8.67778070526608	6.210419287835575	2.4673614174305056	Different Family
[O60674, P04629]	CC1(CCC(CC1)NC(=O)c2cnn3c2nc(cc3)N4CCCC4c5cc(ccc5F)F)O	P04629	O60674	8.919106440627239	6.554655387003525	2.364451053623714	Different Family
[O60674, P04629]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	P04629	O60674	7.568636235841013	5.535957794561189	2.032678441279824	Different Family
[O60674, P04629]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P04629	O60674	7.7447274948966935	6.259637310505756	1.4850901843909377	Different Family
[O60674, P04629]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P04629	O60674	8.761439372640169	7.3979400086720375	1.3634993639681312	Different Family
[O60674, P04629]	COCCOc1ccc(cc1C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CC5)F	P04629	O60674	9.022276394711152	6.3260580013659125	2.69621839334524	Different Family
[O60674, P04629]	COc1c(cc(cn1)F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(C5)O	P04629	O60674	8.886056647693163	6.280668713016273	2.60538793467689	Different Family
[O60674, P04629]	COc1c(cc(cn1)F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O	P04629	O60674	9.045757490560675	7.115204636051019	1.9305528545096555	Different Family
[O60674, P04629]	COc1c(cc(cn1)F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCN(CC5)S(=O)(=O)C	P04629	O60674	8.657577319177793	6.35261702988538	2.3049602892924135	Different Family
[O60674, P04629]	CS(=O)(=O)N1CCC(CC1)NC(=O)c2cnn3c2nc(cc3)N4CCCC4c5cc(ccc5F)F	P04629	O60674	8.823908740944319	6.411168274405793	2.4127404665385255	Different Family
[O60674, P04629]	Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F	P04629	O60674	7.769551078621726	7.920818753952375	0.151267675330649	Different Family
[O60674, P04629]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P04629	O60674	5.56431486205837	5.940108206919151	0.37579334486078064	Different Family
[O60674, P04629]	Cc1cc(n[nH]1)n2cnc3c2nc(cc3)NC(C)c4ccc(cn4)F	P04629	O60674	7.853871964321762	8.522878745280337	0.6690067809585756	Different Family
[O60674, P04629]	Cn1cc(cc(c1=O)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O)F	P04629	O60674	8.721246399047171	6.30189945437661	2.4193469446705613	Different Family
[O60674, P04629]	Cn1cc(cc(c1=O)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC5)F	P04629	O60674	8.522878745280337	6.176786686717333	2.3460920585630047	Different Family
[O60674, P04629]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P04629	O60674	7.337242168318426	6.638272163982407	0.6989700043360187	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)N)C(F)(F)F	P04629	O60674	8.795880017344075	6.2403321553103694	2.5555478620337055	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CC5)CO	P04629	O60674	9.221848749616356	6.367542707815276	2.85430604180108	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CC6CCC5C6)F	P04629	O60674	9.221848749616356	6.806875401645539	2.4149733479708173	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(C5)O)F	P04629	O60674	9.045757490560675	6.11975822410452	2.925999266456155	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)C(=O)O)F	P04629	O60674	8.823908740944319	7.6307841425898575	1.1931245983544612	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O)CO	P04629	O60674	8.958607314841775	7.373659632624958	1.584947682216817	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O)F	P04629	O60674	9.346787486224656	6.9714287473074625	2.3753587389171935	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC5)F	P04629	O60674	9.259637310505756	6.327902142064283	2.931735168441473	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCN(CC5)S(=O)(=O)N)F	P04629	O60674	8.853871964321762	6.709965388637482	2.14390657568428	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCNCC5F)F	P04629	O60674	8.709965388637482	6.1555228242543185	2.554442564383163	Different Family
[O60674, P04629]	c1cc(c(cc1F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCOCC5)F	P04629	O60674	9.221848749616356	6.590066876668706	2.6317818729476503	Different Family
[O60674, P04629]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P04629	O60674	8.306939584650792	5.251811972993799	3.0551276116569923	Different Family
[O60674, P04629]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P04629	O60674	9.0	5.568636235841013	3.431363764158987	Different Family
[O60674, P04629]	c1cc(cc(c1)F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O	P04629	O60674	8.920818753952375	6.555955204081924	2.364863549870451	Different Family
[O60674, P04629]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P04629	O60674	6.327902142064283	8.132200550150909	1.804298408086626	Different Family
[O60674, P04629]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	O60674	6.070581074285707	5.327902142064283	0.7426789322214242	Different Family
[O60674, P04629]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P04629	O60674	8.522878745280337	5.173925197299174	3.3489535479811634	Different Family
[O60674, P04629]	c1cn2c(c(cn2)C(=O)NC3CC3)nc1N4CCCC4c5cc(cnc5CO)F	P04629	O60674	8.886056647693163	6.156144577376839	2.729912070316324	Different Family
[P04629, P08581]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P04629	P08581	8.777283528852417	6.438898616350944	2.338384912501473	Different Family
[P04629, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P04629	P08581	7.070581074285707	6.752026733638194	0.31855434064751353	Different Family
[P04629, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P04629	P08581	5.080921907623926	4.6020599913279625	0.47886191629596375	Different Family
[P04629, P08581]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P04629	P08581	5.56431486205837	5.6860800803851195	0.12176521832674947	Different Family
[P04629, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P04629	P08581	5.009217308196862	5.294992040666664	0.2857747324698021	Different Family
[P04629, P08581]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P04629	P08581	5.112945621949043	5.221848749616356	0.10890312766731292	Different Family
[P04629, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P04629	P08581	8.306939584650792	5.2441251443275085	3.062814440323283	Different Family
[P04629, P08581]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P04629	P08581	9.0	5.366531544420414	3.633468455579586	Different Family
[P04629, P08581]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	P08581	6.070581074285707	5.292429823902063	0.7781512503836439	Different Family
[P04629, P08581]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P04629	P08581	8.522878745280337	5.113509274827518	3.4093694704528197	Different Family
[P04629, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)O	P04629	P28482	4.093503340200647	6.153662887870195	2.0601595476695476	Different Group
[P04629, P28482]	CC(C)(C)NC(=O)Nc1ccc2c(n1)cc(cn2)c3cnn(c3)C	P04629	P28482	5.346787486224656	6.367542707815276	1.02075522159062	Different Group
[P04629, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P04629	P28482	7.070581074285707	5.201349354554731	1.8692317197309762	Different Group
[P04629, P28482]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.841637507904751	5.841637507904751	0.0	Different Group
[P04629, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P04629	P28482	5.838631997765025	5.421360790031928	0.4172712077330969	Different Group
[P04629, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.429457060118103	5.504455662453552	0.07499860233544897	Different Group
[P04629, P28482]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P04629	P28482	5.605548319173784	5.370590400897281	0.23495791827650336	Different Group
[P04629, P28482]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P04629	P28482	5.028724151261895	4.779107750780481	0.24961640048141387	Different Group
[P04629, P28482]	Cn1cc(cn1)c2cc3c(ccc(n3)NC(=O)NCCc4ccccc4)nc2	P04629	P28482	4.8972233851165585	6.134896025358872	1.2376726402423133	Different Group
[P04629, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P04629	P28482	5.009217308196862	4.848017604542526	0.16119970365433645	Different Group
[P04629, P28482]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P04629	P28482	5.112945621949043	4.7972393126068	0.315706309342243	Different Group
[P04629, P28482]	c1cc(cc(c1)F)NC(=O)Nc2ccc(cc2)NC(=O)c3ccn4c3c(ncn4)N	P04629	P28482	5.728158393463501	6.528708288941061	0.8005498954775598	Different Group
[P04629, P28482]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P04629	P28482	5.108462542327436	4.913284336055118	0.19517820627231774	Different Group
[P04629, P28482]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.235823867609669	5.847711655616943	0.611887788007274	Different Group
[P04629, P28482]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.465973893943865	5.6307841425898575	0.1648102486459928	Different Group
[P04629, P28482]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.0343280287798935	4.633763876281707	0.40056415249818667	Different Group
[P04629, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P04629	P28482	5.490797477668897	5.694648630553377	0.20385115288447953	Different Group
[P04629, P28482]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P04629	P28482	5.274088367704952	5.074172425375258	0.19991594232969412	Different Group
[P04629, Q16620]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P04629	Q16620	8.522878745280337	8.301029995663981	0.22184874961635614	Same Family
[P04629, Q16620]	CC1CN(CC(O1)C)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	P04629	Q16620	8.221848749616356	8.045757490560675	0.17609125905568135	Same Family
[P04629, Q16620]	CN(Cc1ccccc1)c2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16620	6.2839966563652006	6.886056647693163	0.6020599913279625	Same Family
[P04629, Q16620]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P04629	Q16620	7.070581074285707	6.663540266151471	0.40704080813423626	Same Family
[P04629, Q16620]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P04629	Q16620	8.761439372640169	8.522878745280337	0.2385606273598313	Same Family
[P04629, Q16620]	COc1ccccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16620	6.769551078621726	6.920818753952375	0.151267675330649	Same Family
[P04629, Q16620]	Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F	P04629	Q16620	7.769551078621726	8.397940008672037	0.6283889300503116	Same Family
[P04629, Q16620]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P04629	Q16620	5.56431486205837	5.737786294523583	0.17347143246521313	Same Family
[P04629, Q16620]	Cc1cc(on1)CNc2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Br	P04629	Q16620	6.568636235841013	5.958607314841775	0.6100289209992384	Same Family
[P04629, Q16620]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P04629	Q16620	7.337242168318426	7.214670164989233	0.12257200332919282	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)C2CCCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	P04629	Q16620	6.769551078621726	7.301029995663981	0.5314789170422554	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5cccc(n5)N6CCC(CC6)O	P04629	Q16620	8.301029995663981	8.397940008672037	0.09691001300805624	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P04629	Q16620	8.306939584650792	8.397940008672037	0.09100042402124586	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P04629	Q16620	9.0	9.0	0.0	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)C2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	P04629	Q16620	7.1249387366083	7.327902142064283	0.20296340545598301	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16620	7.301029995663981	7.6777807052660805	0.3767507096020992	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)CO	P04629	Q16620	7.119186407719209	7.568636235841013	0.44944982812180445	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)NC(=O)C5CCOCC5	P04629	Q16620	8.221848749616356	8.154901959985743	0.06694678963061307	Same Family
[P04629, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)S(=O)(=O)N	P04629	Q16620	7.568636235841013	7.886056647693163	0.31742041185215	Same Family
[P04629, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16620	6.070581074285707	6.82477907173247	0.754197997446763	Same Family
[P04629, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4cccc(c4)C#N	P04629	Q16620	6.130768280269024	6.698970004336019	0.568201724066995	Same Family
[P04629, Q16620]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P04629	Q16620	8.522878745280337	9.0	0.4771212547196626	Same Family
[P04629, Q16620]	c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	P04629	Q16620	3.3334820194451193	2.9244530386074694	0.40902898083764994	Same Family
[P04629, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.841637507904751	5.139661993429006	0.7019755144757447	Different Group
[P04629, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P04629	Q86Z02	5.838631997765025	4.882728704344236	0.9559032934207892	Different Group
[P04629, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.429457060118103	5.493494967595128	0.06403790747702498	Different Group
[P04629, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P04629	Q86Z02	5.605548319173784	5.39577394691553	0.2097743722582539	Different Group
[P04629, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.028724151261895	4.897909474488164	0.13081467677373126	Different Group
[P04629, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.108462542327436	4.926281649653878	0.18218089267355797	Different Group
[P04629, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.235823867609669	6.035269078946371	0.7994452113367014	Different Group
[P04629, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.465973893943865	5.5638373529592435	0.09786345901537885	Different Group
[P04629, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.0343280287798935	4.515557792357593	0.5187702364223004	Different Group
[P04629, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P04629	Q86Z02	5.490797477668897	5.586700235918748	0.09590275824985106	Different Group
[P04629, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P04629	Q86Z02	5.274088367704952	5.088842391260023	0.18524597644492857	Different Group
[P04629, Q16288]	CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	P04629	Q16288	7.619788758288394	7.337242168318426	0.28254658996996795	Same Family
[P04629, Q16288]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P04629	Q16288	8.777283528852417	8.358525889495901	0.41875763935651555	Same Family
[P04629, Q16288]	CN(Cc1ccccc1)c2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16288	6.2839966563652006	7.698970004336019	1.4149733479708182	Same Family
[P04629, Q16288]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P04629	Q16288	8.761439372640169	8.41195437047216	0.3494850021680094	Same Family
[P04629, Q16288]	COc1ccccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16288	6.769551078621726	7.1249387366083	0.355387657986574	Same Family
[P04629, Q16288]	Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F	P04629	Q16288	7.769551078621726	7.7447274948966935	0.02482358372503235	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)C2CCCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	P04629	Q16288	6.769551078621726	7.958607314841775	1.1890562362200487	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5cccc(n5)N6CCC(CC6)O	P04629	Q16288	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P04629	Q16288	8.306939584650792	8.698970004336019	0.3920304196852271	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)C2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	P04629	Q16288	7.1249387366083	7.721246399047171	0.5963076624388712	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16288	7.301029995663981	8.221848749616356	0.9208187539523749	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)CO	P04629	Q16288	7.119186407719209	7.3979400086720375	0.27875360095282886	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)NC(=O)C5CCOCC5	P04629	Q16288	8.221848749616356	8.522878745280337	0.30102999566398125	Same Family
[P04629, Q16288]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)S(=O)(=O)N	P04629	Q16288	7.568636235841013	8.397940008672037	0.8293037728310244	Same Family
[P04629, Q16288]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P04629	Q16288	6.070581074285707	7.0	0.9294189257142929	Same Family
[P04629, Q16288]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4cccc(c4)C#N	P04629	Q16288	6.130768280269024	6.638272163982407	0.5075038837133832	Same Family
[P04629, Q16288]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P04629	Q16288	8.522878745280337	9.0	0.4771212547196626	Same Family
[O60674, P48730]	C#Cc1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4	P48730	O60674	4.701146923590294	4.844663962534939	0.14351703894464496	Different Group
[O60674, P48730]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P48730	O60674	4.610833915635467	6.453457336521869	1.8426234208864019	Different Group
[O60674, P48730]	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5)OCC	P48730	O60674	4.3535962737769305	5.376750709602099	1.0231544358251687	Different Group
[O60674, P48730]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P48730	O60674	4.605548319173784	6.562249437179612	1.956701118005828	Different Group
[O60674, P48730]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P48730	O60674	4.705533773838407	6.040481623027001	1.3349478491885947	Different Group
[O60674, P48730]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P48730	O60674	4.91721462968355	7.214670164989233	2.2974555353056827	Different Group
[O60674, P48730]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P48730	O60674	4.920818753952375	5.1791420105603	0.258323256607925	Different Group
[O60674, P48730]	c1cc(ccc1c2c([nH]c(n2)c3ccc(c(c3)C(=O)O)O)c4cc[nH]c(=O)c4)F	P48730	O60674	4.673664139071248	5.430626090384954	0.7569619513137056	Different Group
[O60674, P48730]	c1cc(ccc1c2cn(nn2)CCO)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P48730	O60674	4.747146969020107	6.301029995663981	1.5538830266438746	Different Group
[O60674, P48730]	c1cc(ccc1c2cn(nn2)CCP(=O)(O)O)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P48730	O60674	4.966576244513051	4.341988603342887	0.6245876411701632	Different Group
[O60674, P48730]	c1cc(ccc1c2cn3c(cnc(c3n2)NC4CCC(CC4)N)C(=O)N)Cl	P48730	O60674	4.920818753952375	4.886056647693163	0.034762106259211834	Different Group
[O60674, P23458]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cc(c(c(c3)F)N4CCOCC4)F)Cl	P23458	O60674	6.305394801066432	6.454692883534176	0.14929808246774456	Different Family
[O60674, P23458]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3ccc(cc3)N4CCOCC4)Cl	P23458	O60674	7.61261017366127	7.7544873321858505	0.14187715852458016	Different Family
[O60674, P23458]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCO)Cl	P23458	O60674	7.958607314841775	7.494850021680094	0.4637572931616809	Different Family
[O60674, P23458]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	P23458	O60674	6.129011186239425	6.375717904164332	0.24670671792490673	Different Family
[O60674, P23458]	C=CC1(CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N)O	P23458	O60674	8.796729909783021	7.911954370472159	0.8847755393108621	Different Family
[O60674, P23458]	CC(=NOC)c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3[N+]#[C-])C(=O)N	P23458	O60674	9.455931955649724	8.698970004336019	0.7569619513137056	Different Family
[O60674, P23458]	CC(=O)C1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.1505805862031	7.6595558851598815	0.4910247010432185	Different Family
[O60674, P23458]	CC(=O)N1CCN(CC1)Cc2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5	P23458	O60674	6.475863623407432	6.071245797823347	0.40461782558408466	Different Family
[O60674, P23458]	CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	9.301029995663981	9.0	0.30102999566398125	Different Family
[O60674, P23458]	CC(=O)NC1CCc2c1cc(cc2)Oc3cnc4c(n3)c(c[nH]4)C(=O)NC(C(=O)N5CC(C5)C#N)C(C)(C)C	P23458	O60674	6.06398920428479	6.350665141287858	0.2866759370030678	Different Family
[O60674, P23458]	CC(=O)NCC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.779891911959945	7.818156412055227	0.9617354999047176	Different Family
[O60674, P23458]	CC(=O)OC1CC(C(CC1O)n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N)[N+]#[C-]	P23458	O60674	7.698970004336019	6.735182176990463	0.9637878273455556	Different Family
[O60674, P23458]	CC(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.460409376976187	7.895242492728684	1.5651668842475033	Different Family
[O60674, P23458]	CC(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.522878745280337	8.698970004336019	0.8239087409443187	Different Family
[O60674, P23458]	CC(C(=O)N(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P23458	O60674	6.196133365715015	6.636012170251509	0.43987880453649364	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)C(CC5)NC(=O)C	P23458	O60674	4.935542010773082	5.8696662315049934	0.9341242207319116	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5c(cc(cc5F)Cl)n(n4)C	P23458	O60674	7.1938200260161125	7.251811972993799	0.05799194697768684	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5cc(ccc5n(n4)C)Cl	P23458	O60674	7.214670164989233	7.552841968657781	0.3381718036685477	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C#N	P23458	O60674	7.292429823902063	7.42021640338319	0.1277865794811266	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C(C)(C)C	P23458	O60674	7.920818753952375	7.886056647693163	0.034762106259211834	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)C6CC6	P23458	O60674	8.0	7.823908740944319	0.17609125905568135	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P23458	O60674	7.508638306165727	7.657577319177793	0.14893901301206647	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccccc5n(n4)C	P23458	O60674	7.657577319177793	7.698970004336019	0.04139268515822536	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4cnc5n4ccc(c5)Cl	P23458	O60674	7.214670164989233	7.2441251443275085	0.029454979338275677	Different Family
[O60674, P23458]	CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)n4c5ccc(cc5cn4)Cl	P23458	O60674	6.431798275933005	7.080921907623926	0.6491236316909212	Different Family
[O60674, P23458]	CC(C(=O)N1CCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	6.06013145554049	6.46167766676856	0.4015462112280703	Different Family
[O60674, P23458]	CC(C(=O)N1CCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	6.366026844210326	6.915066425063284	0.5490395808529573	Different Family
[O60674, P23458]	CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	6.442492798094342	6.909741947068683	0.4672491489743411	Different Family
[O60674, P23458]	CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P23458	O60674	6.79593948650845	7.2408680902357165	0.4449286037272664	Different Family
[O60674, P23458]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	O60674	7.443697499232713	8.397940008672037	0.9542425094393243	Different Family
[O60674, P23458]	CC(C)(C)C(=O)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	10.643974142806877	9.88941028970075	0.7545638531061272	Different Family
[O60674, P23458]	CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P23458	O60674	8.259637310505756	8.886056647693163	0.6264193371874072	Different Family
[O60674, P23458]	CC(C)(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P23458	O60674	7.823908740944319	7.795880017344075	0.028028723600243666	Different Family
[O60674, P23458]	CC(C)(C)N(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.259637310505756	7.795880017344075	1.463757293161681	Different Family
[O60674, P23458]	CC(C)(C)NC(=O)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	7.327902142064283	6.371611069949688	0.9562910721145945	Different Family
[O60674, P23458]	CC(C)(C)NC(=O)c1cc(cnc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	7.221848749616356	6.54515513999149	0.6766936096248664	Different Family
[O60674, P23458]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	O60674	5.054531414868181	5.931814138253839	0.8772827233856582	Different Family
[O60674, P23458]	CC(C)(C)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(C(F)(F)F)O)C(=O)N	P23458	O60674	9.397940008672037	7.638272163982407	1.7596678446896306	Different Family
[O60674, P23458]	CC(C)(C)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N	P23458	O60674	9.698970004336019	7.585026652029182	2.113943352306837	Different Family
[O60674, P23458]	CC(C)(C)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.0	7.7447274948966935	1.2552725051033065	Different Family
[O60674, P23458]	CC(C)(C)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccccc3)C(=O)N	P23458	O60674	9.096910013008056	7.552841968657781	1.5440680443502757	Different Family
[O60674, P23458]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	P23458	O60674	6.686132779630847	8.301029995663981	1.6148972160331345	Different Family
[O60674, P23458]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	P23458	O60674	6.184422251675732	8.301029995663981	2.116607743988249	Different Family
[O60674, P23458]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	P23458	O60674	7.107905397309519	8.096910013008056	0.989004615698537	Different Family
[O60674, P23458]	CC(C)(C)OC(=O)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	7.769551078621726	6.333482019445119	1.4360690591766065	Different Family
[O60674, P23458]	CC(C)(C)OC(=O)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	7.638272163982407	6.360513510731414	1.2777586532509932	Different Family
[O60674, P23458]	CC(C)(C)OC(=O)N(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.160521952625801	7.0915149811213505	1.069006971504451	Different Family
[O60674, P23458]	CC(C)(C)OC(=O)NC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.84163750790475	7.315154638355588	1.5264828695491621	Different Family
[O60674, P23458]	CC(C)(C)OC(=O)NCC1CCC(C(C1)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N)C#N	P23458	O60674	7.145910311051144	6.124283459090327	1.021626851960817	Different Family
[O60674, P23458]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	O60674	7.4089353929735005	8.0	0.5910646070264995	Different Family
[O60674, P23458]	CC(C)(C1CC(C1)CNC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)O	P23458	O60674	9.0	6.576754126063192	2.423245873936808	Different Family
[O60674, P23458]	CC(C)(C1CC1)N(C)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.0	7.42021640338319	1.5797835966168101	Different Family
[O60674, P23458]	CC(C)(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccccc4)C(=O)N	P23458	O60674	9.0	7.42021640338319	1.5797835966168101	Different Family
[O60674, P23458]	CC(C)(C1CCC(C(C1)[N+]#[C-])n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N)O	P23458	O60674	8.85498269431874	8.048455006504028	0.8065276878147127	Different Family
[O60674, P23458]	CC(C)(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P23458	O60674	7.8696662315049934	7.164943898279883	0.70472233322511	Different Family
[O60674, P23458]	CC(C)(C1CN(C1)C(=O)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N)O	P23458	O60674	7.784318117920506	6.865418717284127	0.9188994006363789	Different Family
[O60674, P23458]	CC(C)(C1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)O	P23458	O60674	8.960409376976187	7.211656597399502	1.7487527795766855	Different Family
[O60674, P23458]	CC(C)(C1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N)O	P23458	O60674	8.809894379144197	7.296219575256819	1.513674803887378	Different Family
[O60674, P23458]	CC(C)(CF)c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N	P23458	O60674	9.0	8.221848749616356	0.7781512503836439	Different Family
[O60674, P23458]	CC(C)(CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N)O	P23458	O60674	8.698970004336019	7.376750709602099	1.3222192947339195	Different Family
[O60674, P23458]	CC(C)(CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N)OC	P23458	O60674	8.698970004336019	7.318758762624412	1.3802112417116064	Different Family
[O60674, P23458]	CC(C)(CO)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.0	7.3872161432802645	1.6127838567197355	Different Family
[O60674, P23458]	CC(C)(COC)N(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.200659450546419	1.4983105537896	Different Family
[O60674, P23458]	CC(C)(COC)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.096910013008056	7.366531544420414	1.7303784685876424	Different Family
[O60674, P23458]	CC(C)(COC)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccccc3)C(=O)N	P23458	O60674	7.795880017344075	6.769551078621726	1.026328938722349	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N)C(=O)O	P23458	O60674	9.602059991327963	7.096910013008056	2.5051499783199063	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)C(=O)O	P23458	O60674	9.434833115752497	6.947415286000334	2.4874178297521627	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)C(C(F)(F)F)O	P23458	O60674	9.227965977824862	8.610924374808178	0.6170416030166841	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)OC	P23458	O60674	9.346787486224656	8.698970004336019	0.6478174818886373	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C(=O)NCC(F)(F)F	P23458	O60674	9.698970004336019	9.18045606445813	0.518513939877888	Different Family
[O60674, P23458]	CC(C)(c1ccc(cc1F)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C(C(F)(F)F)O	P23458	O60674	8.698970004336019	8.178273661756906	0.5206963425791127	Different Family
[O60674, P23458]	CC(C)(c1cccc(c1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)O	P23458	O60674	6.636388020107856	5.249491605148654	1.3868964149592022	Different Family
[O60674, P23458]	CC(C)C(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P23458	O60674	7.348721986001856	7.486782399932061	0.13806041393020418	Different Family
[O60674, P23458]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)C4CCOCC4	P23458	O60674	7.619788758288394	7.920818753952375	0.30102999566398125	Different Family
[O60674, P23458]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCOCC4	P23458	O60674	7.795880017344075	7.853871964321762	0.05799194697768684	Different Family
[O60674, P23458]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3cc(n(n3)C)N4CCS(=O)(=O)CC4	P23458	O60674	7.173925197299173	7.886056647693163	0.71213145039399	Different Family
[O60674, P23458]	CC(C)C(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P23458	O60674	7.312625826994948	6.831770133075735	0.4808556939192128	Different Family
[O60674, P23458]	CC(C)CN(CC1CC1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	7.795880017344075	6.040958607678906	1.7549214096651689	Different Family
[O60674, P23458]	CC(C)CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N	P23458	O60674	8.221848749616356	6.376750709602099	1.845098040014257	Different Family
[O60674, P23458]	CC(C)COC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	11.876148359032914	11.115204636051018	0.7609437229818958	Different Family
[O60674, P23458]	CC(C)CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P23458	O60674	7.455931955649724	7.327902142064283	0.1280298135854414	Different Family
[O60674, P23458]	CC(C)CS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	7.853871964321762	6.266000713461613	1.5878712508601485	Different Family
[O60674, P23458]	CC(C)Cn1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P23458	O60674	6.638272163982407	6.4089353929735005	0.22933677100890648	Different Family
[O60674, P23458]	CC(C)N1CCC(C1)S(=O)(=O)CC2CC(C2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	6.97469413473523	5.424812155072339	1.5498819796628904	Different Family
[O60674, P23458]	CC(C)NC(=O)OC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	8.460409376976187	7.374059272723736	1.0863501042524515	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P23458	O60674	6.649170726417032	6.97387548325455	0.32470475683751765	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cc(cc(c3)OC)OC	P23458	O60674	5.0851281824599495	6.0	0.9148718175400505	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc(cc3)C#N	P23458	O60674	5.459670525209126	6.045757490560675	0.5860869653515488	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)C(CC4)NC(=O)C	P23458	O60674	5.279097465152148	5.881341257912602	0.6022437927604543	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccc4c(c3)CCC4	P23458	O60674	5.478861916295964	6.236572006437063	0.7577100901410994	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3cccc(c3)C#N	P23458	O60674	5.496209316942819	5.903089986991944	0.40688067004912476	Different Family
[O60674, P23458]	CC(C)NC(=O)c1c[nH]c2c1nc(cn2)Oc3ccccc3	P23458	O60674	6.075720713938118	6.6020599913279625	0.5263392773898445	Different Family
[O60674, P23458]	CC(C)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.639920348297021	7.909078206027614	1.7308421422694078	Different Family
[O60674, P23458]	CC(C)NS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.522878745280337	9.0	0.5228787452803374	Different Family
[O60674, P23458]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	5.508638306165727	5.229147988357856	0.2794903178078707	Different Family
[O60674, P23458]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	7.619788758288394	7.649751981665837	0.02996322337744317	Different Family
[O60674, P23458]	CC(C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	P23458	O60674	6.657577319177793	7.154901959985743	0.4973246408079497	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(c(c4)F)Cl)C(=O)N	P23458	O60674	8.397940008672037	6.840394902909075	1.5575451057629621	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	8.872363747448347	6.775801448271116	2.096562299177231	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	8.698970004336019	6.868063661567389	1.83090634276863	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)OC(F)(F)F)C(=O)N	P23458	O60674	8.698970004336019	6.9430283238465815	1.7559416804894372	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.404947189572098	7.529970308301689	1.8749768812704097	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(nc4)C(F)(F)F)C(=O)N	P23458	O60674	7.904834150914854	6.434833115752497	1.4700010351623574	Different Family
[O60674, P23458]	CC(C1CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(nc4)OC(F)F)C(=O)N	P23458	O60674	8.129818655252878	6.799299729609228	1.3305189256436503	Different Family
[O60674, P23458]	CC(C1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	5.9576214018601235	6.449527042893436	0.4919056410333127	Different Family
[O60674, P23458]	CC(COC)N(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.560739102249396	1.1382309020866224	Different Family
[O60674, P23458]	CC(COC)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.84948500216801	7.450851231752651	1.3986337704153584	Different Family
[O60674, P23458]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	P23458	O60674	5.698970004336019	4.91721462968355	0.7817553746524686	Different Family
[O60674, P23458]	CC(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)(C(F)(F)F)O	P23458	O60674	9.973606251317458	8.31295299324845	1.6606532580690079	Different Family
[O60674, P23458]	CC(c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)(C(F)(F)F)O	P23458	O60674	9.430884548956689	8.706395469239736	0.7244890797169532	Different Family
[O60674, P23458]	CC(c1ccc(cn1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)(C(F)(F)F)O	P23458	O60674	8.610924374808178	7.891258027893047	0.7196663469151314	Different Family
[O60674, P23458]	CC(c1ccc(cn1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)(C(F)F)O	P23458	O60674	9.0	8.522878745280337	0.4771212547196626	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C)Nc4cn(cn4)C	P23458	O60674	7.619788758288394	7.568636235841013	0.051152522447380555	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc(c3ccn(c3n2)C4CC4)Nc5cn(cn5)C	P23458	O60674	7.5376020021010435	7.568636235841013	0.031034233739969608	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc(c3cnn(c3n2)C)Nc4cn(cn4)C	P23458	O60674	7.795880017344075	7.823908740944319	0.028028723600243666	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc3c(c(n2)Nc4cn(cn4)C)nccn3	P23458	O60674	5.823908740944319	6.096910013008056	0.2730012720637376	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc3c(cccn3)c(n2)Nc4cn(cn4)C	P23458	O60674	6.882728704344236	7.481486060122113	0.5987573557778774	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc3c(cn[nH]3)c(n2)Nc4cn(cn4)C	P23458	O60674	7.657577319177793	7.301029995663981	0.35654732351381213	Different Family
[O60674, P23458]	CC(c1ncc(cn1)F)Nc2nc3cnccc3c(n2)Nc4cn(cn4)C	P23458	O60674	7.552841968657781	7.920818753952375	0.3679767852945943	Different Family
[O60674, P23458]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	P23458	O60674	7.434994025164048	6.880225139579764	0.5547688855842843	Different Family
[O60674, P23458]	CC1(C(CCC1(C)O)Nc2c3cccn3ncc2C(=O)N)C	P23458	O60674	7.3794759246641775	7.2543191530828635	0.125156771581314	Different Family
[O60674, P23458]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	P23458	O60674	7.427868613119005	6.8278038631574445	0.6000647499615601	Different Family
[O60674, P23458]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	P23458	O60674	7.442694507883914	7.131403678647631	0.3112908292362828	Different Family
[O60674, P23458]	CC1(CC(C1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)CC#N	P23458	O60674	7.652259161754901	5.909793683580839	1.7424654781740623	Different Family
[O60674, P23458]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	P23458	O60674	7.06246936830415	6.835301060319479	0.22716830798467136	Different Family
[O60674, P23458]	CC1(CC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccccc4)C(=O)N	P23458	O60674	8.698970004336019	7.619788758288394	1.079181246047625	Different Family
[O60674, P23458]	CC1(CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(c(c3)F)Cl)C(=O)N)O	P23458	O60674	8.5	7.755724641749778	0.7442753582502224	Different Family
[O60674, P23458]	CC1(CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(C)(C(F)(F)F)O)C(=O)N)O	P23458	O60674	9.242332909312086	8.698970004336019	0.5433629049760675	Different Family
[O60674, P23458]	CC1(CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(C)(C)C(C(F)(F)F)O)C(=O)N)O	P23458	O60674	9.077450979992872	8.480204688488094	0.5972462915047778	Different Family
[O60674, P23458]	CC1(CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N)O	P23458	O60674	8.761439372640169	7.9076542845912	0.8537850880489684	Different Family
[O60674, P23458]	CC1(CCC(C(C1)n2cc(c(n2)Nc3ccccc3)C(=O)N)C#N)C	P23458	O60674	7.613106777509403	7.027758663924915	0.5853481135844874	Different Family
[O60674, P23458]	CC1(CCC(CC1n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N)F)C#N	P23458	O60674	8.460409376976187	8.027758663924915	0.432650713051272	Different Family
[O60674, P23458]	CC1(CCC(CC1n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N)O)C#N	P23458	O60674	8.0	7.657577319177793	0.3424226808222066	Different Family
[O60674, P23458]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C	P23458	O60674	7.4358003656410965	7.340968332518619	0.09483203312247745	Different Family
[O60674, P23458]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	P23458	O60674	7.519289452966776	7.214728530059051	0.30456092290772485	Different Family
[O60674, P23458]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)CO	P23458	O60674	6.83889035263304	6.689411859112482	0.14947849352055798	Different Family
[O60674, P23458]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	P23458	O60674	6.763621775341393	6.610924374808178	0.15269740053321534	Different Family
[O60674, P23458]	CC1(CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C	P23458	O60674	7.045757490560675	7.070581074285707	0.02482358372503235	Different Family
[O60674, P23458]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P23458	O60674	8.051587034221399	7.294992040666664	0.7565949935547343	Different Family
[O60674, P23458]	CC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P23458	O60674	8.119186407719209	7.388276691992658	0.7309097157265505	Different Family
[O60674, P23458]	CC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P23458	O60674	8.111259039317108	7.375717904164332	0.7355411351527765	Different Family
[O60674, P23458]	CC1(CCOCC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.070581074285707	7.6020599913279625	1.4685210829577446	Different Family
[O60674, P23458]	CC1(CN(C1)C(=O)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N)O	P23458	O60674	8.15051499783199	7.100329725273209	1.0501852725587817	Different Family
[O60674, P23458]	CC1(CN(C1)C(=O)C2CCC(C(C2)[N+]#[C-])n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N)C	P23458	O60674	8.133803120088515	6.94219474416285	1.1916083759256653	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(C(F)(F)F)O)C(=O)N)C	P23458	O60674	9.960409376976187	8.069341519366546	1.8910678576096416	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)C	P23458	O60674	8.91195437047216	6.977045266482495	1.9349091039896642	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)O	P23458	O60674	9.673393743112328	8.284318117920506	1.389075625191822	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N)C	P23458	O60674	9.0	7.6777807052660805	1.3222192947339195	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccccc4)C(=O)N)C	P23458	O60674	9.045757490560675	7.3979400086720375	1.6478174818886373	Different Family
[O60674, P23458]	CC1(CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccnc(c4)F)C(=O)N)C	P23458	O60674	8.84948500216801	7.0759054415043	1.773579560663709	Different Family
[O60674, P23458]	CC1(CN(CC1(C)CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P23458	O60674	7.841637507904751	7.2549252084179425	0.5867122994868081	Different Family
[O60674, P23458]	CC1(COC1)CN(C)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.0	7.958607314841775	1.0413926851582254	Different Family
[O60674, P23458]	CC1(COC1)CNC(=O)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	7.732986946971932	7.229147988357856	0.5038389586140761	Different Family
[O60674, P23458]	CC1(COC1)CNC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	9.198970004336019	7.566856330457902	1.6321136738781163	Different Family
[O60674, P23458]	CC1(COC1)CNC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.327902142064283	1.3710678622717358	Different Family
[O60674, P23458]	CC1(COC1)N(C)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.187086643357144	8.154901959985743	1.0321846833714012	Different Family
[O60674, P23458]	CC1(COC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.0	7.657577319177793	1.3424226808222066	Different Family
[O60674, P23458]	CC1(COC1)NC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccccc4)C(=O)N	P23458	O60674	8.397940008672037	7.619788758288394	0.7781512503836439	Different Family
[O60674, P23458]	CC1(COC1)c2ccc(cc2)Nc3c(cn(n3)C4CCC(CC4C#N)O)C(=O)N	P23458	O60674	9.0	8.397940008672037	0.6020599913279625	Different Family
[O60674, P23458]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P23458	O60674	8.21298436613614	9.060955120789046	0.8479707546529056	Different Family
[O60674, P23458]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCC(CC4)CO	P23458	O60674	8.130181792020672	7.488116639021126	0.642065152999546	Different Family
[O60674, P23458]	CC1CC(CCC1N(C)c2c3cc[nH]c3ncn2)CS(=O)(=O)N4CCCC(C4)O	P23458	O60674	8.523458578043957	8.041299766022375	0.4821588120215825	Different Family
[O60674, P23458]	CC1CC(CN(C1)S(=O)(=O)CC(C)C)NC(=O)Nc2cnc3c(n2)cc[nH]3	P23458	O60674	7.376750709602099	7.251811972993799	0.1249387366082999	Different Family
[O60674, P23458]	CC1CC(N1C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)C	P23458	O60674	8.336696871556164	6.560194927289137	1.776501944267027	Different Family
[O60674, P23458]	CC1CCC(C(C1)n2cc(c(n2)Nc3ccccc3)C(=O)N)C#N	P23458	O60674	8.154901959985743	7.42021640338319	0.7346855566025532	Different Family
[O60674, P23458]	CC1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P23458	O60674	7.619788758288394	7.638272163982407	0.0184834056940133	Different Family
[O60674, P23458]	CC1CCCC(C1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P23458	O60674	6.366531544420414	7.638272163982407	1.2717406195619931	Different Family
[O60674, P23458]	CC1CCCCC1Nc2c3cc[nH]c3ncc2C(=O)N	P23458	O60674	7.327902142064283	7.522878745280337	0.19497660321605448	Different Family
[O60674, P23458]	CC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P23458	O60674	7.703356966489771	8.06304920106777	0.3596922345779987	Different Family
[O60674, P23458]	CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.966576244513051	7.141462802430361	0.8251134420826896	Different Family
[O60674, P23458]	CC1CCCN(C1)c2c3c(c[nH]c3ncn2)c4cccc(c4)C#N	P23458	O60674	5.790484985457369	6.2403321553103694	0.4498471698530002	Different Family
[O60674, P23458]	CC1CCCN1S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.1890957193313	7.368556230986828	0.8205394883444725	Different Family
[O60674, P23458]	CC1CCN(C1)C(=O)C(C)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	P23458	O60674	6.565431095965801	6.872247484167027	0.30681638820122625	Different Family
[O60674, P23458]	CC1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.785156151952302	7.070070439915412	0.7150857120368901	Different Family
[O60674, P23458]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CO	P23458	O60674	6.075720713938118	6.318758762624412	0.24303804868629442	Different Family
[O60674, P23458]	CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)S(=O)(=O)CC(F)(F)F	P23458	O60674	5.555955204081924	6.102372908709558	0.5464177046276344	Different Family
[O60674, P23458]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3[nH]c2=O)C(=O)CC#N	P23458	O60674	8.823908740944319	8.585026652029182	0.23888208891513685	Different Family
[O60674, P23458]	CC1CCN(CC1n2c3c4cc[nH]c4ncc3n(c2=O)C)C(=O)CC#N	P23458	O60674	7.5376020021010435	8.136677139879543	0.5990751377784997	Different Family
[O60674, P23458]	CC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	9.0	7.214670164989233	1.7853298350107671	Different Family
[O60674, P23458]	CC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.070581074285707	1.6283889300503116	Different Family
[O60674, P23458]	CC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.761439372640169	7.823908740944319	1.93753063169585	Different Family
[O60674, P23458]	CC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccccc4)C(=O)N	P23458	O60674	9.0	7.356547323513813	1.643452676486187	Different Family
[O60674, P23458]	CC1CN(CC1CO)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	11.701146923590294	10.782516055786093	0.9186308678042003	Different Family
[O60674, P23458]	CC1CN(CC1S(=O)(=O)C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.982966660701219	7.492144128304169	0.49082253239705054	Different Family
[O60674, P23458]	CC1CN(CCC1Nc2c3cc[nH]c3ncc2C(=O)N)c4ccc(cn4)C#N	P23458	O60674	7.958607314841775	7.853871964321762	0.10473535052001282	Different Family
[O60674, P23458]	CC1CN(CCN1C)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.943095148663527	6.8996294548824375	1.0434656937810898	Different Family
[O60674, P23458]	CC1c2cccc(c2)OCc3cccc(c3)Nc4ncc(c(n4)N1)Cl	P23458	O60674	6.460923901207224	6.455931955649724	0.004991945557499378	Different Family
[O60674, P23458]	CCC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)Cl	P23458	O60674	8.337242168318426	8.3767507096021	0.03950854128367354	Different Family
[O60674, P23458]	CCC(C(C)C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P23458	O60674	6.585026652029182	6.080921907623926	0.5041047444052555	Different Family
[O60674, P23458]	CCC(C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	P23458	O60674	7.120330794367947	7.3535962737769305	0.2332654794089839	Different Family
[O60674, P23458]	CCC(C)n1cc(c2c(c1=O)c(n[nH]2)N)c3ccn(n3)C	P23458	O60674	7.045757490560675	6.7447274948966935	0.30102999566398125	Different Family
[O60674, P23458]	CCC(C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)O	P23458	O60674	7.642065152999546	7.042871802323187	0.5991933506763587	Different Family
[O60674, P23458]	CCC1(CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)NC(=O)OCc5ccccc5	P23458	O60674	7.350665141287858	7.1444808443322	0.20618429695565776	Different Family
[O60674, P23458]	CCC1(CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)CO	P23458	O60674	7.761953896871205	7.2580609222708015	0.5038929746004035	Different Family
[O60674, P23458]	CCC1(CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3)C(=O)N	P23458	O60674	8.096367483915762	7.213958789757446	0.8824086941583156	Different Family
[O60674, P23458]	CCC1CCCCC1NS(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.841637507904751	7.226945306635738	0.6146922012690128	Different Family
[O60674, P23458]	CCC1CCCCC1n2c3c4cc[nH]c4ncc3[nH]c2=O	P23458	O60674	7.7447274948966935	8.443697499232712	0.6989700043360187	Different Family
[O60674, P23458]	CCCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	8.045757490560675	6.657577319177793	1.3881801713828814	Different Family
[O60674, P23458]	CCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	7.173925197299173	6.024108863598207	1.149816333700966	Different Family
[O60674, P23458]	CCCS(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.217527375833713	7.262012673666569	0.955514702167144	Different Family
[O60674, P23458]	CCCS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P23458	O60674	7.585026652029182	7.107905397309519	0.4771212547196626	Different Family
[O60674, P23458]	CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	7.5376020021010435	6.095284454721319	1.4423175473797247	Different Family
[O60674, P23458]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	7.5376020021010435	6.241088107602026	1.296513894499017	Different Family
[O60674, P23458]	CCN(C1CCC1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.0	7.552841968657781	1.4471580313422194	Different Family
[O60674, P23458]	CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.645891560852599	6.939302159646388	0.7065894012062106	Different Family
[O60674, P23458]	CCN(CC)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.313363730737706	7.444905551421681	0.8684581793160246	Different Family
[O60674, P23458]	CCN1CCN(C(=O)C1=O)CC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	7.749579997691106	7.043831569524636	0.7057484281664701	Different Family
[O60674, P23458]	CCNC(=O)OC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	9.070581074285707	8.045757490560675	1.0248235837250323	Different Family
[O60674, P23458]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	O60674	6.876148359032914	7.318758762624412	0.44261040359149817	Different Family
[O60674, P23458]	CCNC(C)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.954677021213342	7.204119982655925	0.7505570385574174	Different Family
[O60674, P23458]	CCNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.698970004336019	7.958607314841775	1.740362689494244	Different Family
[O60674, P23458]	CCOC(=O)Cn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5	P23458	O60674	4.096367483915762	6.453457336521869	2.357089852606107	Different Family
[O60674, P23458]	CCOC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.920818753952375	8.388276691992658	0.5325420619597168	Different Family
[O60674, P23458]	CCOCCOC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.199970640755867	7.774690718274137	0.42527992248172986	Different Family
[O60674, P23458]	CCOP(=O)(CCn1cc(nn1)c2ccc(cc2)c3[nH]c(c(n3)c4ccc(cc4)F)c5cc[nH]c(=O)c5)OCC	P23458	O60674	4.621602099051862	5.376750709602099	0.7551486105502372	Different Family
[O60674, P23458]	CCOP(=O)(OCC)OC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	10.628932137728263	9.935542010773082	0.6933901269551814	Different Family
[O60674, P23458]	CCS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.455931955649724	8.397940008672037	1.0579919469776868	Different Family
[O60674, P23458]	CCc1c(sc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P23458	O60674	6.6020599913279625	8.853871964321762	2.2518119729937993	Different Family
[O60674, P23458]	CCc1ccc(nc1)COCC2CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	7.756961951313706	7.196542884351586	0.5604190669621198	Different Family
[O60674, P23458]	CCc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P23458	O60674	5.380906669373258	5.91721462968355	0.5363079603102925	Different Family
[O60674, P23458]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P23458	O60674	6.481486060122113	8.823908740944319	2.3424226808222057	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	P23458	O60674	7.795880017344075	8.920818753952375	1.1249387366083	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	P23458	O60674	6.267606240177032	6.638272163982407	0.3706659238053751	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)N5CCS(=O)(=O)CC5)C)C(=O)N(C6CC6)C7CC7	P23458	O60674	7.318758762624412	9.154901959985743	1.8361431973613307	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C(=O)NC)C)C(=O)N(C5CC5)C6CC6	P23458	O60674	7.721246399047171	9.045757490560675	1.3245110915135037	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C(=O)NC)C(=O)N(C5CC5)C6CC6	P23458	O60674	7.657577319177793	8.508638306165727	0.8510609869879335	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)S(=O)(=O)C)C)C(=O)N(C5CC5)C6CC6	P23458	O60674	7.3979400086720375	8.853871964321762	1.4559319556497243	Different Family
[O60674, P23458]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P23458	O60674	5.221848749616356	7.481486060122113	2.259637310505757	Different Family
[O60674, P23458]	CCn1cc(cn1)c2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C(=O)N4CC(C4)C#N	P23458	O60674	7.638272163982407	7.7447274948966935	0.1064553309142866	Different Family
[O60674, P23458]	CN(C)C(=O)COC1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.995678626217358	7.29929628285498	0.6963823433623775	Different Family
[O60674, P23458]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	O60674	5.508638306165727	5.931814138253839	0.4231758320881118	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(c(c3)F)Cl)C(=O)N	P23458	O60674	8.426935982160881	6.999262951654134	1.4276730305067469	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N	P23458	O60674	9.48940535046503	7.765826334793921	1.7235790156711097	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.979303657420887	7.390469833775569	1.5888338236453183	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)OC(F)(F)F)C(=O)N	P23458	O60674	8.71298436613614	7.390469833775569	1.3225145323605716	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)OC(F)F)C(=O)N	P23458	O60674	9.198970004336019	7.690453334686628	1.5085166696493904	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.480204688488094	8.08920208005901	1.3910026084290834	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(nc3)C(F)(F)F)C(=O)N	P23458	O60674	7.640272917984125	6.535787580318706	1.1044853376654187	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccccc3)C(=O)N	P23458	O60674	9.187086643357144	7.494850021680094	1.6922366216770506	Different Family
[O60674, P23458]	CN(C)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccnc(c3)F)C(=O)N	P23458	O60674	8.221848749616356	6.776886799110918	1.444961950505438	Different Family
[O60674, P23458]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P23458	O60674	5.886056647693163	6.259637310505756	0.37358066281259283	Different Family
[O60674, P23458]	CN(C)CC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	7.958607314841775	6.447331783887807	1.5112755309539674	Different Family
[O60674, P23458]	CN(C)S(=O)(=O)CC1CCCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.113509274827518	7.294136287716081	0.8193729871114366	Different Family
[O60674, P23458]	CN(C)S(=O)(=O)CCNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.0	7.886056647693163	1.113943352306837	Different Family
[O60674, P23458]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	O60674	7.096910013008056	5.6020599913279625	1.4948500216800937	Different Family
[O60674, P23458]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	O60674	7.4089353929735005	5.301029995663981	2.107905397309519	Different Family
[O60674, P23458]	CN(C1CCC(C(C1)[N+]#[C-])n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N)C4COC4	P23458	O60674	8.045757490560675	6.97469413473523	1.0710633558254452	Different Family
[O60674, P23458]	CN(C1CCC1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	8.221848749616356	6.619788758288394	1.6020599913279625	Different Family
[O60674, P23458]	CN(C1CCC1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	9.0	7.455931955649724	1.5440680443502757	Different Family
[O60674, P23458]	CN(C1CCC1)C2CCC(C(C2)[N+]#[C-])n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	9.522878745280337	7.481486060122113	2.0413926851582245	Different Family
[O60674, P23458]	CN(CC(F)(F)F)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccnc(c3)F)C(=O)N	P23458	O60674	9.0	8.221848749616356	0.7781512503836439	Different Family
[O60674, P23458]	CN(CC(F)F)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	8.522878745280337	7.5376020021010435	0.9852767431792939	Different Family
[O60674, P23458]	CN(CC1CC1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	8.397940008672037	6.8696662315049934	1.528273777167044	Different Family
[O60674, P23458]	CN(CCC#N)S(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	O60674	7.657577319177793	6.3851027839668655	1.272474535210928	Different Family
[O60674, P23458]	CN(CCC(F)(F)F)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	8.328788659588897	7.12668290053121	1.2021057590576865	Different Family
[O60674, P23458]	CN(CCOC)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.698970004336019	1.0	Different Family
[O60674, P23458]	CN(CCOC)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.221848749616356	7.769551078621726	1.4522976709946303	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)C4CCC(C4)C#N	P23458	O60674	7.73877788324684	6.303204502245464	1.435573381001376	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	P23458	O60674	8.301029995663981	6.79317412396815	1.5078558716958312	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CCC4CC4	P23458	O60674	7.853871964321762	6.370590400897281	1.4832815634244811	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	P23458	O60674	8.035290537142853	6.588302014569105	1.446988522573748	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	P23458	O60674	8.221848749616356	7.055517327849832	1.1663314217665244	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(F)F	P23458	O60674	8.045757490560675	6.428291168191312	1.6174663223693626	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4cc(ccn4)C#N	P23458	O60674	8.221848749616356	6.244887733604929	1.976961016011427	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	P23458	O60674	8.397940008672037	7.070581074285707	1.3273589343863303	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	P23458	O60674	8.301029995663981	6.752026733638194	1.5490032620257876	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)CC#N	P23458	O60674	7.983288122256525	6.035341636623253	1.9479464856332722	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CN(C4)C5CC5	P23458	O60674	8.221848749616356	6.224025668870631	1.9978230807457251	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC(F)(F)F	P23458	O60674	7.657577319177793	6.419075024324381	1.2385022948534123	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	P23458	O60674	8.221848749616356	6.504455662453552	1.7173930871628045	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4CC(C4)(F)F	P23458	O60674	8.221848749616356	6.384049948343599	1.8377988012727569	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4COC4	P23458	O60674	7.552841968657781	6.0301183562535	1.5227236124042802	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	P23458	O60674	8.397940008672037	6.767003889607846	1.6309361190641916	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC(C4)O5	P23458	O60674	7.468521082957745	5.939302159646388	1.5292189233113564	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC5(C4)C#N	P23458	O60674	7.933230545814891	6.132265624239289	1.800964921575602	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	P23458	O60674	9.0	7.2839966563652006	1.7160033436347994	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)NCC4CC4	P23458	O60674	7.292429823902063	5.958607314841775	1.3338225090602887	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)c4cc(ccn4)C#N	P23458	O60674	8.522878745280337	6.154901959985743	2.3679767852945943	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)CO	P23458	O60674	8.518557371497694	7.732828271596986	0.785729099900708	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)F)F	P23458	O60674	7.860120913598763	7.464705879957229	0.39541503364153385	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)C#N	P23458	O60674	8.271646217978772	7.728158393463501	0.5434878245152701	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)O	P23458	O60674	8.413138876247768	7.735423471692741	0.6777154045550269	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C(C4)O)c5ccccc5	P23458	O60674	8.282329496997738	7.823908740944319	0.45842075605341925	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)F	P23458	O60674	7.903089986991944	7.698970004336019	0.20411998265592501	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)NC(=O)OC	P23458	O60674	7.958607314841775	7.489454989793388	0.46915232504838666	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)O	P23458	O60674	7.97061622231479	7.46344155742847	0.5071746648863202	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)CC5CC5	P23458	O60674	7.97061622231479	7.30189945437661	0.6687167679381805	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)S(=O)(=O)c5ccccc5	P23458	O60674	8.515700160653214	8.036212172654444	0.4794879879987697	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5[nH]nnn5	P23458	O60674	8.809668301829708	8.000434511774017	0.809233790055691	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5cccnc5	P23458	O60674	7.6439741428068775	7.448550002027125	0.19542414077975234	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CC(C4)c5ncccn5	P23458	O60674	7.785156151952302	7.645891560852599	0.13926459109970324	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C(C4)O)O	P23458	O60674	8.154460404962512	7.637028217798364	0.5174321871641476	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CCO)CO	P23458	O60674	7.903089986991944	7.339134521996131	0.5639554649958125	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(COc5cccc(c5)F)O	P23458	O60674	8.505845405981557	7.581698708680254	0.9241466973013024	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(CSc5ccccn5)O	P23458	O60674	8.866461091629782	7.882728704344236	0.9837323872855466	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(Cn5cccn5)O	P23458	O60674	8.744727494896694	8.031517051446064	0.7132104434506292	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccc5)O	P23458	O60674	8.71669877129645	7.966576244513051	0.7501225267833993	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)(c5ccccn5)O	P23458	O60674	7.97469413473523	7.446116973356125	0.5285771613791042	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CC#N	P23458	O60674	8.18974458814284	7.421425804402752	0.7683187837400887	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)CO	P23458	O60674	8.527443042879593	7.9597156152328665	0.5677274276467266	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COC	P23458	O60674	8.772113295386326	7.647817481888637	1.1242958134976888	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)COCc5cccnc5	P23458	O60674	7.714442690992226	7.493494967595128	0.22094772339709845	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5ccccc5	P23458	O60674	7.7447274948966935	7.184422251675732	0.5603052432209612	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Cc5cnccn5	P23458	O60674	7.701146923590294	7.543633966870957	0.1575129567193363	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)F	P23458	O60674	7.907824662976521	7.60809107260168	0.29973359037484126	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)NC(=O)C(F)(F)F	P23458	O60674	7.718966632752273	7.206209615309182	0.5127570174430911	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)O	P23458	O60674	8.054867755960258	7.546006950999439	0.5088608049608183	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OC	P23458	O60674	7.924453038607469	7.3788237182249645	0.5456293203825044	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)OCC(=O)N5CCCC5	P23458	O60674	8.359518563029578	7.528708288941061	0.8308102740885168	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)Oc5ccccc5C#N	P23458	O60674	8.171984935776024	7.6307841425898575	0.5412007931861664	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)C	P23458	O60674	8.525783735923746	7.565431095965801	0.9603526399579447	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)CCc5ccccc5	P23458	O60674	8.319664486585436	7.777283528852417	0.5423809577330196	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5	P23458	O60674	8.13430394008393	7.7594507517174005	0.37485318836652937	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)S(=O)(=O)Cc5ccccc5OC	P23458	O60674	8.351639989019068	7.756961951313706	0.5946780377053624	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5	P23458	O60674	8.161780778092375	7.39040559077478	0.7713751873175951	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccc5F	P23458	O60674	8.259637310505756	7.42712839779952	0.8325089127062357	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ccccn5	P23458	O60674	8.595166283380062	8.20620961530918	0.3889566680708807	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(C4)c5ncccn5	P23458	O60674	8.485452247339714	8.242603971206975	0.2428482761327384	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(CCOC)C(=O)N	P23458	O60674	8.79860287567955	8.047207556955907	0.7513953187236417	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)(c5ccccc5)O	P23458	O60674	8.298432014944073	8.129596094720974	0.16883592022309912	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)C#N	P23458	O60674	7.782516055786094	7.174573882232177	0.6079421735539174	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CC(=O)N	P23458	O60674	7.696803942579511	7.071604147743286	0.6251997948362256	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CO	P23458	O60674	7.958607314841775	7.3585258894959	0.6000814253458744	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COC	P23458	O60674	7.892790030352131	7.1487416512809245	0.7440483790712067	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)COCC5CC5	P23458	O60674	8.39040559077478	7.22329881601159	1.16710677476319	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)CS(=O)(=O)CC5CC5	P23458	O60674	7.931814138253839	7.052566278112949	0.8792478601408895	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)Cc5ncccn5	P23458	O60674	8.223298816011589	7.752026733638194	0.47127208237339513	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)N	P23458	O60674	7.373659632624958	7.010995384301463	0.36266424832349475	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)O	P23458	O60674	8.037157318798757	7.465973893943865	0.5711834248548922	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)OC	P23458	O60674	7.655607726314889	6.97061622231479	0.6849915040000987	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC(CC4)c5nc(no5)CS(=O)(=O)C	P23458	O60674	8.079354998593212	7.181774106386045	0.8975808922071673	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCC4	P23458	O60674	7.844663962534939	7.404503778174426	0.4401601843605123	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)(COc5cccc(c5)F)O	P23458	O60674	7.8297382846050425	7.329754146925876	0.4999841376791663	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C#N	P23458	O60674	8.098907425857726	7.308061810862677	0.7908456149950496	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)N	P23458	O60674	8.190440285364732	7.686132779630847	0.5043075057338848	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(=O)O	P23458	O60674	8.671620396561263	8.112945621949043	0.5586747746122196	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)C(F)(F)F	P23458	O60674	8.139661993429007	7.265200170411153	0.874461823017854	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CN5CCCC5	P23458	O60674	7.8297382846050425	6.903089986991944	0.9266482976130987	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CO	P23458	O60674	8.619788758288394	7.696803942579511	0.9229848157088822	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)COc5ccc(cc5)F	P23458	O60674	8.228412519118745	7.494850021680094	0.7335624974386512	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)C	P23458	O60674	7.686132779630847	7.035269078946371	0.650863700684476	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)CS(=O)(=O)N	P23458	O60674	8.508638306165727	7.657577319177793	0.8510609869879335	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)Cc5ccccn5	P23458	O60674	7.94692155651658	7.481486060122113	0.46543549639446713	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)F	P23458	O60674	8.275724130399212	7.581698708680254	0.6940254217189574	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)O	P23458	O60674	8.534430088159425	7.876652143868537	0.6577779442908884	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OC	P23458	O60674	8.769551078621726	7.6252516539898965	1.1442994246318294	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCC(=O)N	P23458	O60674	8.528708288941061	7.73754891026957	0.791159378671491	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OCCOC	P23458	O60674	11.903089986991944	11.39254497678533	0.5105450102066129	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC(C4)OP(=O)(O)O	P23458	O60674	10.580044251510243	9.97469413473523	0.6053501167750124	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4CN5CCCC5	P23458	O60674	8.325138859262188	7.391473966422806	0.9336648928393814	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC4COC	P23458	O60674	8.019996628416253	7.250263684430939	0.7697329439853142	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCCC5(C4)CC(=O)NC5	P23458	O60674	7.841637507904751	7.204119982655925	0.6375175252488257	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)Cc5ccccn5	P23458	O60674	7.863279432843593	7.302770657240282	0.5605087756033109	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C#N	P23458	O60674	7.91721462968355	7.7544873321858505	0.16272729749769965	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5c(cccn5)C(=O)NC6CC6	P23458	O60674	7.982966660701219	7.3655227298392685	0.6174439308619508	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCN(CC4)c5ccccn5	P23458	O60674	8.074172425375258	7.651695136951839	0.42247728842341825	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCS(=O)(=O)CC4	P23458	O60674	7.712198270069774	7.350665141287858	0.36153312878191635	Different Family
[O60674, P23458]	CN(c1c2cc[nH]c2ncn1)C3CCC(CC3)CS(=O)(=O)N4CCSC4	P23458	O60674	8.05551732784983	7.530177984021837	0.5253393438279943	Different Family
[O60674, P23458]	CN(c1ccnc2c1cc[nH]2)C3CCCCC3	P23458	O60674	5.5376020021010435	5.7447274948966935	0.20712549279565007	Different Family
[O60674, P23458]	CN(c1cnc2c(n1)cc[nH]2)C(=O)NC3CCCN(C3)S(=O)(=O)C	P23458	O60674	5.652669984683049	5.355561410532162	0.29710857415088743	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(c(c4)OC)OC)Cl	P23458	O60674	7.136677139879544	5.00436480540245	2.132312334477094	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Br	P23458	O60674	6.752026733638194	5.324221658325915	1.4278050753122784	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)C(=O)N	P23458	O60674	6.010105436281227	4.987162775294828	1.0229426609863994	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Cl	P23458	O60674	6.498940737782249	5.016824927962187	1.482115809820062	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4ccc(cc4)S(=O)(=O)C)Cl	P23458	O60674	6.448550002027125	5.555955204081924	0.8925947979452014	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4cccc(c4)F)Cl	P23458	O60674	6.079876673709276	4.790484985457369	1.2893916882519072	Different Family
[O60674, P23458]	CN1CCC(CC1)CNc2c(cnc3c2nc([nH]3)c4cccc(c4)OC)Cl	P23458	O60674	6.562249437179612	4.790484985457369	1.7717644517222428	Different Family
[O60674, P23458]	CN1CCC(CC1)Nc2c(cnc3c2nc([nH]3)c4ccc(cc4)OC)Cl	P23458	O60674	6.251037138743839	4.826813731587726	1.4242234071561128	Different Family
[O60674, P23458]	CN1CCC(CC1)Nc2c3cc[nH]c3ncc2C(=O)N	P23458	O60674	6.522878745280337	6.508638306165727	0.014240439114610481	Different Family
[O60674, P23458]	CN1CCN(CC1)Cc2ccc(cc2)c3cccc4n3nc(n4)NC(=O)C5CC5	P23458	O60674	5.462432742847325	5.294992040666664	0.16744070218066032	Different Family
[O60674, P23458]	CN1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	10.610833915635467	9.962573502059376	0.6482604135760912	Different Family
[O60674, P23458]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P23458	O60674	6.950781977329818	7.3979400086720375	0.44715803134221943	Different Family
[O60674, P23458]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	P23458	O60674	6.047691990337875	5.978810700930062	0.06888128940781346	Different Family
[O60674, P23458]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P23458	O60674	5.481486060122113	5.920818753952375	0.43933269383026197	Different Family
[O60674, P23458]	CNC(=O)C1CCN(CC1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	7.657577319177793	7.347753658996677	0.3098236601811166	Different Family
[O60674, P23458]	CNC(=O)OC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	8.761439372640169	7.606624288927219	1.1548150837129496	Different Family
[O60674, P23458]	CNC(=O)c1ccc(cc1)Nc2ncc3c(n2)CCN(C3)c4cc(ccc4Cl)NC(=O)c5cc(ccn5)C(F)(F)F	P23458	O60674	7.920818753952375	8.193820026016112	0.2730012720637376	Different Family
[O60674, P23458]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	O60674	6.675717544702307	7.508638306165727	0.83292076146342	Different Family
[O60674, P23458]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	P23458	O60674	7.154901959985743	7.920818753952375	0.7659167939666318	Different Family
[O60674, P23458]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	P23458	O60674	6.537602002101044	7.236572006437063	0.6989700043360187	Different Family
[O60674, P23458]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P23458	O60674	8.769551078621726	9.259637310505756	0.49008623188403	Different Family
[O60674, P23458]	CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(c(c3)F)Cl)C(=O)N	P23458	O60674	8.698970004336019	7.520479303839453	1.1784907004965657	Different Family
[O60674, P23458]	CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	8.926935982160881	7.619788758288394	1.3071472238724873	Different Family
[O60674, P23458]	CNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	9.048455006504028	7.426935982160881	1.6215190243431472	Different Family
[O60674, P23458]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	P23458	O60674	6.823908740944319	5.4089353929735005	1.4149733479708182	Different Family
[O60674, P23458]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	P23458	O60674	7.045757490560675	5.508638306165727	1.5371191843949479	Different Family
[O60674, P23458]	CNS(=O)(=O)C1CCN(C1)S(=O)(=O)CC2CCC(CC2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.555955204081924	7.605548319173784	0.9504068849081397	Different Family
[O60674, P23458]	CNc1c(cnc(n1)Nc2cnn(c2)C(CC(=O)N)C3CCCCC3)C(F)(F)F	P23458	O60674	6.173925197299173	7.008773924307505	0.8348487270083318	Different Family
[O60674, P23458]	COC(=O)C1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	7.853871964321762	6.995678626217358	0.858193338104404	Different Family
[O60674, P23458]	COC(=O)c1cc(cnc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	7.920818753952375	7.050609993355087	0.8702087605972881	Different Family
[O60674, P23458]	COC(=O)c1ccc(cn1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.522878745280337	7.886056647693163	0.6368220975871743	Different Family
[O60674, P23458]	COC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N	P23458	O60674	8.522878745280337	7.494850021680094	1.0280287236002437	Different Family
[O60674, P23458]	COC1CN(C1)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.346787486224656	8.301029995663981	1.0457574905606748	Different Family
[O60674, P23458]	COCCNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.045757490560675	7.638272163982407	1.4074853265782679	Different Family
[O60674, P23458]	COCCNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.0	7.455931955649724	1.5440680443502757	Different Family
[O60674, P23458]	COCCNS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.602059991327963	9.0	0.6020599913279625	Different Family
[O60674, P23458]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P23458	O60674	7.455931955649724	7.292429823902063	0.16350213174766104	Different Family
[O60674, P23458]	CON=Cc1ccc(cc1)Nc2c(cn(n2)C3CCCCC3[N+]#[C-])C(=O)N	P23458	O60674	9.346787486224656	8.698970004336019	0.6478174818886373	Different Family
[O60674, P23458]	COc1c(cc(cn1)F)C2CCCN2c3ccn4c(n3)c(cn4)C(=O)NC5CCC(CC5)O	P23458	O60674	6.262807357295263	7.115204636051019	0.8523972787557561	Different Family
[O60674, P23458]	COc1ccc(c(c1)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P23458	O60674	7.221607608846487	4.928117992693875	2.2934896161526117	Different Family
[O60674, P23458]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P23458	O60674	7.214495163845347	4.882728704344236	2.331766459501112	Different Family
[O60674, P23458]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCCNC4	P23458	O60674	6.860120913598763	5.517126416391246	1.342994497207517	Different Family
[O60674, P23458]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNC4	P23458	O60674	6.701146923590294	4.856985199745905	1.8441617238443886	Different Family
[O60674, P23458]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P23458	O60674	7.653576540361385	5.838631997765025	1.8149445425963604	Different Family
[O60674, P23458]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Cl)OCC4CCNCC4	P23458	O60674	6.752026733638194	4.995678626217358	1.7563481074208358	Different Family
[O60674, P23458]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P23458	O60674	7.154901959985743	6.860120913598763	0.29478104638698	Different Family
[O60674, P23458]	COc1cccc(c1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)Nc4c(cn(n4)C5CCCCC5C#N)C(=O)N	P23458	O60674	8.045757490560675	7.619788758288394	0.42596873227228116	Different Family
[O60674, P23458]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	O60674	7.5376020021010435	8.174360993000928	0.6367589908998843	Different Family
[O60674, P23458]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	P23458	O60674	7.113509274827518	7.495699914119042	0.3821906392915242	Different Family
[O60674, P23458]	CS(=O)(=O)C1CN(C1)C(=O)C2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)Cl)C(=O)N	P23458	O60674	8.610924374808178	7.515525159509329	1.0953992152988494	Different Family
[O60674, P23458]	CS(=O)(=O)CCNC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)C(=O)N	P23458	O60674	9.455931955649724	8.397940008672037	1.0579919469776868	Different Family
[O60674, P23458]	CS(=O)(=O)N1CCC(CC1)n2c3c4cc[nH]c4ncc3[nH]c2=O	P23458	O60674	6.853871964321762	6.853871964321762	0.0	Different Family
[O60674, P23458]	CS(=O)(=O)N1CCCC(C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	P23458	O60674	7.058567040139185	7.1572186944208855	0.0986516542817002	Different Family
[O60674, P23458]	CS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N	P23458	O60674	8.173925197299173	8.494850021680094	0.3209248243809206	Different Family
[O60674, P23458]	CS(=O)(=O)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)Cl)C(=O)N	P23458	O60674	9.173393743112328	8.198970004336019	0.9744237387763093	Different Family
[O60674, P23458]	CS(=O)(=O)NC1CCC(C(C1)C#N)n2cc(c(n2)Nc3ccc(cc3)F)C(=O)N	P23458	O60674	8.872363747448347	7.887345359137068	0.9850183883112784	Different Family
[O60674, P23458]	CS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N	P23458	O60674	9.602059991327963	8.06246936830415	1.5395906230238126	Different Family
[O60674, P23458]	CS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N	P23458	O60674	10.0	8.522878745280337	1.4771212547196626	Different Family
[O60674, P23458]	CS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCOCC3)C(=O)N	P23458	O60674	7.657577319177793	6.823908740944319	0.8336685782334747	Different Family
[O60674, P23458]	CS(=O)(=O)c1ccc(cc1F)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.698970004336019	8.0	0.6989700043360187	Different Family
[O60674, P23458]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P23458	O60674	5.428291168191312	5.940108206919151	0.5118170387278385	Different Family
[O60674, P23458]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCN(CC4)C)OC	P23458	O60674	7.443697499232713	5.568636235841013	1.8750612633917	Different Family
[O60674, P23458]	Cc1cc(ccc1c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)OC	P23458	O60674	7.73877788324684	5.539102157243452	2.199675726003388	Different Family
[O60674, P23458]	Cc1cc(cnc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	7.795880017344075	7.431798275933005	0.36408174141106997	Different Family
[O60674, P23458]	Cc1cc(cnc1C#N)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.397940008672037	7.7447274948966935	0.653212513775344	Different Family
[O60674, P23458]	Cc1cc(cnc1C(=O)OC)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.221848749616356	7.769551078621726	0.45229767099463025	Different Family
[O60674, P23458]	Cc1cc(on1)CCC2(CCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4)O	P23458	O60674	7.978810700930062	7.335358024443875	0.643452676486187	Different Family
[O60674, P23458]	Cc1cc(sn1)NC(=O)N2CCC(C(C2)N(C)c3c4cc[nH]c4ncn3)C	P23458	O60674	5.950781977329818	6.292429823902063	0.34164784657224523	Different Family
[O60674, P23458]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	O60674	6.423658649794207	7.568636235841013	1.1449775860468057	Different Family
[O60674, P23458]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	5.431798275933005	5.585026652029182	0.1532283760961768	Different Family
[O60674, P23458]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P23458	O60674	7.257274868695302	6.27083521030723	0.9864396583880719	Different Family
[O60674, P23458]	Cc1ccc(cc1N2CCc3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C2=O)NC(=O)c6cccc(c6)C(F)(F)F	P23458	O60674	6.935542010773082	7.823908740944319	0.8883667301712368	Different Family
[O60674, P23458]	Cc1ccc(cc1N2CCc3c(cnc(n3)Nc4ccc(nc4)C(=O)NC5CC5)C2)NC(=O)c6cccc(c6)C(F)(F)F	P23458	O60674	7.619788758288394	7.7447274948966935	0.1249387366082999	Different Family
[O60674, P23458]	Cc1ccc(nc1)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	7.777283528852417	7.294136287716081	0.48314724113633556	Different Family
[O60674, P23458]	Cc1ccc(nc1C)N2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	8.188424994129406	7.863279432843593	0.3251455612858125	Different Family
[O60674, P23458]	Cc1ccc(nn1)CC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	7.6439741428068775	7.071092309756048	0.5728818330508298	Different Family
[O60674, P23458]	Cc1cccc(c1)Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P23458	O60674	5.667561540084395	6.3872161432802645	0.7196546031958695	Different Family
[O60674, P23458]	Cc1cccc(c1NS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)C	P23458	O60674	9.0	8.045757490560675	0.9542425094393252	Different Family
[O60674, P23458]	Cc1cccc(n1)CC2CCCN2S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	8.443697499232712	7.614393726401688	0.8293037728310244	Different Family
[O60674, P23458]	Cc1ccccc1Oc2cnc3c(n2)c(c[nH]3)C(=O)NC(C)C	P23458	O60674	5.293282217663241	5.634512015109101	0.3412297974458598	Different Family
[O60674, P23458]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	P23458	O60674	6.886056647693163	5.769551078621726	1.1165055690714372	Different Family
[O60674, P23458]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	P23458	O60674	7.0	8.522878745280337	1.5228787452803374	Different Family
[O60674, P23458]	Cc1nc(on1)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.397940008672037	7.6020599913279625	0.795880017344075	Different Family
[O60674, P23458]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P23458	O60674	7.698970004336019	5.221848749616356	2.4771212547196626	Different Family
[O60674, P23458]	Cc1ncc(s1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3	P23458	O60674	8.337242168318426	6.29073003902417	2.046512129294256	Different Family
[O60674, P23458]	Cc1nnc(o1)C2CCCN(C2)S(=O)(=O)CC3CCC(CC3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	8.010995384301463	7.709965388637482	0.30102999566398125	Different Family
[O60674, P23458]	Cn1c2=c3cc[nH]c3=N4(CCCCC(C4)n5c6c7cc[nH]c7ncc6[nH]c5=O)C=c2[nH]c1=O	P23458	O60674	7.522878745280337	7.638272163982407	0.11539341870206954	Different Family
[O60674, P23458]	Cn1c2cc(ccc2c(n1)c3cnc4c(n3)c(c[nH]4)C(=O)NC(C5CC5)C(=O)N6CC(C6)C#N)Cl	P23458	O60674	9.096910013008056	8.958607314841775	0.1383026981662816	Different Family
[O60674, P23458]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P23458	O60674	7.045757490560675	7.301029995663981	0.25527250510330646	Different Family
[O60674, P23458]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P23458	O60674	5.748605149959896	5.785951320588058	0.03734617062816259	Different Family
[O60674, P23458]	Cn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P23458	O60674	7.309803919971486	6.97061622231479	0.3391876976566959	Different Family
[O60674, P23458]	Cn1cc(cn1)c2cc(ccn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.522878745280337	7.221848749616356	1.3010299956639813	Different Family
[O60674, P23458]	Cn1cc(cn1)c2cc(cnc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.221848749616356	7.136677139879544	1.085171609736812	Different Family
[O60674, P23458]	Cn1cc(cn1)c2ccc(cn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.698970004336019	7.823908740944319	0.8750612633917001	Different Family
[O60674, P23458]	Cn1cc2c(n1)CN(C2)S(=O)(=O)NC3CC(C3)N(C)c4c5cc[nH]c5ncn4	P23458	O60674	7.337242168318426	5.966576244513051	1.370665923805375	Different Family
[O60674, P23458]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	P23458	O60674	7.040958607678906	6.040958607678906	1.0	Different Family
[O60674, P23458]	[C-]#[N+]C1=CCCC(C1)OCC2CC2	P23458	O60674	7.6777807052660805	7.130768280269024	0.5470124249970567	Different Family
[O60674, P23458]	[C-]#[N+]C1CC(CCC1n2cc(c(c2)Nc3ccc(nc3)OC(F)F)C(=O)N)N4CCC4	P23458	O60674	8.34948500216801	7.117202972340277	1.232282029827732	Different Family
[O60674, P23458]	[C-]#[N+]C1CC(CCC1n2cc(c(n2)Nc3ccc(c(c3)F)Cl)C(=O)N)(C4CC4)O	P23458	O60674	7.886056647693163	7.229147988357856	0.6569086593353068	Different Family
[O60674, P23458]	[C-]#[N+]C1CC(CCC1n2cc(c(n2)Nc3ccc(cc3)C(F)(F)F)C(=O)N)N4CCC4	P23458	O60674	9.397940008672037	7.638272163982407	1.7596678446896306	Different Family
[O60674, P23458]	[C-]#[N+]C1CC(CCC1n2cc(c(n2)Nc3ccc(cc3)OC(F)(F)F)C(=O)N)O	P23458	O60674	8.221848749616356	7.214670164989233	1.0071785846271233	Different Family
[O60674, P23458]	[C-]#[N+]C1CC(CCC1n2cc(c(n2)Nc3ccnc(c3)F)C(=O)N)CF	P23458	O60674	9.096910013008056	7.886056647693163	1.2108533653148932	Different Family
[O60674, P23458]	[C-]#[N+]C1CCCCC1n2cc(c(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N	P23458	O60674	8.460409376976187	7.136188711015431	1.3242206659607563	Different Family
[O60674, P23458]	[C-]#[N+]C1CCCCC1n2cc(c(n2)Nc3ccccc3)C(=O)N	P23458	O60674	8.522878745280337	7.443697499232713	1.0791812460476242	Different Family
[O60674, P23458]	c1c(cc(cc1Cl)Cl)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	7.7447274948966935	6.924453038607469	0.8202744562892246	Different Family
[O60674, P23458]	c1c(cc(cc1F)Cl)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.154901959985743	7.376750709602099	0.7781512503836439	Different Family
[O60674, P23458]	c1c(cnc(c1F)C#N)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.154901959985743	7.3979400086720375	0.7569619513137056	Different Family
[O60674, P23458]	c1c(cnc2c1CNC2=O)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	9.259637310505756	8.154901959985743	1.1047353505200128	Different Family
[O60674, P23458]	c1c(cncc1Cl)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.154901959985743	7.4089353929735005	0.7459665670122426	Different Family
[O60674, P23458]	c1c(cncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C#N	P23458	O60674	7.920818753952375	7.309803919971486	0.6110148339808887	Different Family
[O60674, P23458]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	P23458	O60674	8.4089353929735	8.301029995663981	0.1079053973095192	Different Family
[O60674, P23458]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)C(=O)CC#N	P23458	O60674	6.958607314841775	6.698970004336019	0.2596373105057559	Different Family
[O60674, P23458]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3CCN(CC3)c4cnc(cn4)C#N	P23458	O60674	7.455931955649724	7.3872161432802645	0.06871581236945978	Different Family
[O60674, P23458]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	P23458	O60674	5.564155634015559	5.610656688747922	0.046501054732363656	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCC4	P23458	O60674	6.958607314841775	7.013228265733755	0.05462095089198016	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCCC4	P23458	O60674	7.102372908709558	7.366531544420414	0.2641586357108556	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCCN(C4)C(=O)CC#N	P23458	O60674	7.698970004336019	7.769551078621726	0.07058107428570715	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3C4CCOCC4	P23458	O60674	6.2839966563652006	6.301029995663981	0.017033339298780703	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]c(=O)n3CC4CCCCC4	P23458	O60674	6.0	7.055517327849832	1.0555173278498318	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P23458	O60674	8.522878745280337	8.0	0.5228787452803374	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P23458	O60674	7.3979400086720375	4.943095148663527	2.45484486000851	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P23458	O60674	7.522878745280337	5.2441251443275085	2.278753600952829	Different Family
[O60674, P23458]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P23458	O60674	7.698970004336019	7.522878745280337	0.17609125905568135	Different Family
[O60674, P23458]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P23458	O60674	7.522878745280337	7.045757490560675	0.4771212547196626	Different Family
[O60674, P23458]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCCC3	P23458	O60674	7.229147988357856	7.327902142064283	0.0987541537064267	Different Family
[O60674, P23458]	c1c[nH]c2c1nc(cn2)NC(=O)NC3CCCN(C3)CC(F)(F)F	P23458	O60674	7.522878745280337	8.154901959985743	0.6320232147054057	Different Family
[O60674, P23458]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	P23458	O60674	7.346787486224656	5.675717544702307	1.6710699415223491	Different Family
[O60674, P23458]	c1cc(c(c(c1)F)CNC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)C(F)(F)F)C(=O)N)F	P23458	O60674	7.958607314841775	6.301029995663981	1.6575773191777934	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)F)Cl	P23458	O60674	8.698970004336019	6.998269733945246	1.7007002703907723	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N)Cl)F	P23458	O60674	8.397940008672037	7.3872161432802645	1.010723865391773	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N)F)Cl	P23458	O60674	8.397940008672037	7.455931955649724	0.9420080530223132	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)Cl)Cl	P23458	O60674	8.610924374808178	7.698970004336019	0.9119543704721593	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)F)C(F)(F)F	P23458	O60674	8.698970004336019	7.552841968657781	1.1461280356782382	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)F)Cl	P23458	O60674	8.84948500216801	7.752922702990778	1.096562299177231	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)CO)S(=O)(=O)C(F)(F)F	P23458	O60674	9.0	8.301029995663981	0.6989700043360187	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)CO)S(=O)(=O)C(F)F	P23458	O60674	8.698970004336019	7.853871964321762	0.8450980400142569	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)Cl)Cl	P23458	O60674	7.769551078621726	7.031517051446065	0.7380340271756607	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)Cl)F	P23458	O60674	8.221848749616356	7.376750709602099	0.8450980400142569	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)F)Cl	P23458	O60674	8.548455006504028	7.508412463981093	1.0400425425229347	Different Family
[O60674, P23458]	c1cc(c(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)F)F	P23458	O60674	8.397940008672037	7.468521082957745	0.9294189257142929	Different Family
[O60674, P23458]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	P23458	O60674	5.721475035262983	7.0655015487564325	1.34402651349345	Different Family
[O60674, P23458]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	5.0915149811213505	5.327902142064283	0.23638716094293244	Different Family
[O60674, P23458]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	P23458	O60674	6.0	5.1487416512809245	0.8512583487190755	Different Family
[O60674, P23458]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	P23458	O60674	6.991399828238082	6.349692476868063	0.6417073513700187	Different Family
[O60674, P23458]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P23458	O60674	6.585026652029182	5.958607314841775	0.6264193371874072	Different Family
[O60674, P23458]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	O60674	7.721246399047171	5.6020599913279625	2.1191864077192086	Different Family
[O60674, P23458]	c1cc(cc2c1cc(cn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)Cl	P23458	O60674	8.397940008672037	7.6777807052660805	0.720159303405957	Different Family
[O60674, P23458]	c1cc(cc2c1cc(cn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)F	P23458	O60674	8.698970004336019	7.795880017344075	0.9030899869919438	Different Family
[O60674, P23458]	c1cc(ccc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.301029995663981	7.309803919971486	0.008773924307504899	Different Family
[O60674, P23458]	c1cc(ccc1C#N)Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N	P23458	O60674	9.0	8.045757490560675	0.9542425094393252	Different Family
[O60674, P23458]	c1cc(ccc1C#N)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N	P23458	O60674	9.280333653084869	8.522878745280337	0.7574549078045312	Different Family
[O60674, P23458]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	5.5376020021010435	5.585026652029182	0.04742464992813833	Different Family
[O60674, P23458]	c1cc(ccc1C(C(F)(F)F)O)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N	P23458	O60674	9.84948500216801	7.800273490580109	2.0492115115879006	Different Family
[O60674, P23458]	c1cc(ccc1C(C(F)(F)F)O)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.323200899714411	7.883758448777259	1.4394424509371522	Different Family
[O60674, P23458]	c1cc(ccc1C(C(F)(F)F)O)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N	P23458	O60674	9.490575407610985	8.610924374808178	0.8796510328028067	Different Family
[O60674, P23458]	c1cc(ccc1C(C(F)(F)F)O)Nc2c(cn(n2)C3CCC(CC3C#N)OCC4CC4)C(=O)N	P23458	O60674	8.914909164965565	7.778931468902425	1.1359776960631391	Different Family
[O60674, P23458]	c1cc(ccc1C(C(F)(F)F)O)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.721246399047171	8.698970004336019	1.0222763947111524	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)NS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.221848749616356	7.508638306165727	0.7132104434506292	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N(CC4CC4)C5COC5)C(=O)N	P23458	O60674	7.3979400086720375	5.920818753952375	1.4771212547196626	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC(C4)(C(F)(F)F)O)C(=O)N	P23458	O60674	8.84948500216801	7.422940237242077	1.4265447649259322	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC(C4)F)C(=O)N	P23458	O60674	8.522878745280337	7.522878745280337	1.0	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N	P23458	O60674	8.960409376976187	6.7685016939859715	2.191907682990216	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)COC5)C(=O)N	P23458	O60674	9.011138197355576	7.668621084159213	1.3425171131963634	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5C(C4)C5CO)C(=O)N	P23458	O60674	9.133803120088515	7.678273661756906	1.4555294583316094	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.045757490560675	7.292429823902063	1.7533276666586115	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NC4CC4)C(=O)N	P23458	O60674	8.673393743112328	7.302249437847187	1.3711443052651413	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NC4CC5(C4)CCCC5)C(=O)N	P23458	O60674	7.6777807052660805	6.1771783546968955	1.500602350569185	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NC4COC4)C(=O)N	P23458	O60674	9.070581074285707	7.769551078621726	1.3010299956639813	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NCC4(CC4)O)C(=O)N	P23458	O60674	9.173393743112328	7.47851546330341	1.6948782798089184	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NCC4CC4)C(=O)N	P23458	O60674	8.522878745280337	7.1938200260161125	1.329058719264225	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NCC4CCC4)C(=O)N	P23458	O60674	8.698970004336019	6.616184634019569	2.08278537031645	Different Family
[O60674, P23458]	c1cc(ccc1C(F)(F)F)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.698970004336019	7.721246399047171	0.9777236052888476	Different Family
[O60674, P23458]	c1cc(ccc1C2CC2)Nc3c(cn(n3)C4CCC(CC4C#N)O)C(=O)N	P23458	O60674	8.372363747448347	7.801029995663981	0.5713337517843655	Different Family
[O60674, P23458]	c1cc(ccc1C=O)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.346787486224656	7.795880017344075	1.550907468880581	Different Family
[O60674, P23458]	c1cc(ccc1C=O)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	9.275724130399212	8.522878745280337	0.7528453851188743	Different Family
[O60674, P23458]	c1cc(ccc1CC(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.309894379144197	7.946395015176066	1.3634993639681312	Different Family
[O60674, P23458]	c1cc(ccc1CC(F)(F)F)Nc2c(cn(n2)C3CCC(CC3C#N)NC4COC4)C(=O)N	P23458	O60674	9.33889035263304	8.460409376976187	0.8784809756568528	Different Family
[O60674, P23458]	c1cc(ccc1CN)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.522878745280337	8.0	0.5228787452803374	Different Family
[O60674, P23458]	c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)C(F)(F)F	P23458	O60674	8.698970004336019	8.154901959985743	0.5440680443502757	Different Family
[O60674, P23458]	c1cc(ccc1CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)Cl	P23458	O60674	9.0	8.397940008672037	0.6020599913279625	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)N4CC(C4)F)C(=O)N)Cl	P23458	O60674	8.284318117920506	7.168621084159213	1.1156970337612933	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)N4CC5(C4)CCC5)C(=O)N)Cl	P23458	O60674	7.488168040901103	6.597453560828663	0.8907144800724396	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)N4CC5(C4)COC5)C(=O)N)Cl	P23458	O60674	7.683265772210207	6.954677021213342	0.7285887509968649	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)N4CCC(C4)(F)F)C(=O)N)Cl	P23458	O60674	8.41195437047216	7.080575454631372	1.3313789158407872	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)NC(C4CC4)C5CC5)C(=O)N)Cl	P23458	O60674	7.744058319510563	6.536571645525154	1.207486673985409	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)NC4CC(C4)(F)F)C(=O)N)Cl	P23458	O60674	7.781918676479622	6.815466322361116	0.9664523541185055	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)NC4CCC4)C(=O)N)Cl	P23458	O60674	7.849485002168009	7.047534086302173	0.8019509158658362	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)NC4COC4)C(=O)N)Cl	P23458	O60674	7.891258027893047	7.017305064892438	0.8739529630006082	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)C(=O)NCC(F)(F)F)C(=O)N)Cl	P23458	O60674	8.33889035263304	7.040879954889292	1.2980103977437478	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)CN)C(=O)N)F	P23458	O60674	7.920818753952375	6.607303046740334	1.3135157072120407	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)CO)C(=O)N)F	P23458	O60674	8.698970004336019	7.657577319177793	1.0413926851582254	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N(C4CC4)C5CC5)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.0	7.795880017344075	1.204119982655925	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N(CC4CC4)C5CCC5)C(=O)N)Cl	P23458	O60674	9.035290537142853	7.510681525807763	1.52460901133509	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N)C(=O)N)F	P23458	O60674	9.0	7.455931955649724	1.5440680443502757	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CC(C4)(C(F)(F)F)O)C(=O)N)Cl	P23458	O60674	9.0	7.920818753952375	1.079181246047625	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CC(C4)F)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.173393743112328	8.05395269865476	1.1194410444575684	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CC(C4)O)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.70446769648675	8.84948500216801	0.8549826943187409	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC(C4)F)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	8.84948500216801	7.75713928675921	1.0923457154087997	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)Cl	P23458	O60674	8.926935982160881	7.17291172906102	1.7540242530998613	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)OC(F)(F)F	P23458	O60674	8.926935982160881	7.518106086327222	1.4088298958336587	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.680755371522682	8.34948500216801	1.331270369354673	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC45COC5)C(=O)N)Cl	P23458	O60674	9.0	8.397940008672037	0.6020599913279625	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCCC4CF)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.0	7.703356966489771	1.2966430335102288	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCOCC4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.522878745280337	8.221848749616356	1.3010299956639813	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC(C4CC4)C5CC5)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	8.809894379144197	7.028376437431069	1.781517941713128	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4(CC4)C(F)(F)F)C(=O)N)Cl	P23458	O60674	7.934833115752497	7.087092277507399	0.8477408382450982	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4(CC4)CO)C(=O)N)Cl	P23458	O60674	8.698970004336019	7.853871964321762	0.8450980400142569	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4(CC4)O)C(=O)N)Cl	P23458	O60674	8.698970004336019	7.522878745280337	1.1760912590556813	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4CC4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.154901959985743	8.154901959985743	1.0	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4CCOCC4)C(=O)N)Cl	P23458	O60674	8.397940008672037	6.991399828238082	1.4065401804339555	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4CCS(=O)(=O)C4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.397940008672037	8.154901959985743	1.2430380486862944	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NC4COC4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.657577319177793	8.522878745280337	1.134698573897456	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(=O)O)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.698970004336019	9.0	0.6989700043360187	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)(F)F)C(=O)N)Cl	P23458	O60674	8.221848749616356	7.380475453429904	0.8413732961864522	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)(F)F)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	8.979303657420887	7.8652435278910415	1.1140601295298458	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)(F)F)C(=O)N)S(=O)(=O)C(F)F	P23458	O60674	9.522878745280337	8.0	1.5228787452803374	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.47442373877631	8.178273661756906	1.2961500770194032	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N)S(=O)(=O)C(F)F	P23458	O60674	9.173393743112328	8.261439372640169	0.9119543704721593	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC4CC4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.761439372640169	7.858349385648225	1.9030899869919438	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC4CCS(=O)(=O)C4)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.397940008672037	8.0	1.3979400086720375	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCCC(F)(F)F)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	8.610924374808178	7.17291172906102	1.4380126457471585	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)NCCO)C(=O)N)S(=O)(=O)C(F)(F)F	P23458	O60674	9.455931955649724	7.958607314841775	1.4973246408079497	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)F	P23458	O60674	8.5	7.611649408005794	0.8883505919942056	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)OC(F)(F)F	P23458	O60674	9.301029995663981	8.301029995663981	1.0	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)S(=O)(=O)C(F)F	P23458	O60674	9.494850021680094	8.522878745280337	0.9719712763997563	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCC(CC3C#N)OC(=O)NC4CCCCC4)C(=O)N)F	P23458	O60674	8.227965977824862	6.920336739901067	1.3076292379237948	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)Br	P23458	O60674	9.0	7.958607314841775	1.0413926851582254	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)OC(F)(F)F	P23458	O60674	9.0	8.0	1.0	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)OC(F)F	P23458	O60674	9.154901959985743	8.301029995663981	0.8538719643217618	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)CF	P23458	O60674	9.795880017344075	8.698970004336019	1.0969100130080562	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)N4CCC5(CC4)OCCO5	P23458	O60674	9.045757490560675	8.522878745280337	0.5228787452803374	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)N4CCOCC4	P23458	O60674	9.397940008672037	9.0	0.3979400086720375	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)NC4CCCCC4	P23458	O60674	9.301029995663981	9.0	0.30102999566398125	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)NCC4CC4	P23458	O60674	9.481486060122112	9.0	0.48148606012211204	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)NCCN4CCCC4	P23458	O60674	9.301029995663981	8.698970004336019	0.6020599913279625	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)NCCN4CCOCC4	P23458	O60674	9.397940008672037	9.0	0.3979400086720375	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)NCc4ccncc4	P23458	O60674	9.602059991327963	9.022276394711152	0.5797835966168101	Different Family
[O60674, P23458]	c1cc(ccc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)S(=O)(=O)Nc4ccncc4	P23458	O60674	9.455931955649724	8.698970004336019	0.7569619513137056	Different Family
[O60674, P23458]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)C(=O)O	P23458	O60674	4.85078088734462	6.562249437179612	1.7114685498349917	Different Family
[O60674, P23458]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)O	P23458	O60674	4.262807357295263	6.040481623027001	1.7776742657317381	Different Family
[O60674, P23458]	c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4cc[nH]c(=O)c4)c5[nH]nnn5	P23458	O60674	5.774690718274137	7.214670164989233	1.4399794467150961	Different Family
[O60674, P23458]	c1cc(ccc1c2c([nH]c(n2)C3CCNCC3)c4cc[nH]c(=O)c4)F	P23458	O60674	4.772113295386326	5.1791420105603	0.40702871517397377	Different Family
[O60674, P23458]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	P23458	O60674	5.031517051446065	5.318758762624412	0.2872417111783472	Different Family
[O60674, P23458]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	P23458	O60674	7.0	5.886056647693163	1.113943352306837	Different Family
[O60674, P23458]	c1cc(cnc1)CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	9.522878745280337	9.0	0.5228787452803374	Different Family
[O60674, P23458]	c1cc(cnc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.0	7.443697499232713	0.5563025007672868	Different Family
[O60674, P23458]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)C(=O)N5CCS(=O)(=O)CC5	P23458	O60674	7.740884155814934	7.184289460211037	0.5565946956038967	Different Family
[O60674, P23458]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCC(CC5)C(=O)N	P23458	O60674	6.361510743045363	5.489912515759505	0.8715982272858582	Different Family
[O60674, P23458]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCCCC5	P23458	O60674	6.297483302561849	5.190507623062659	1.1069756794991905	Different Family
[O60674, P23458]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)N5CCOCC5	P23458	O60674	5.838631997765025	5.7544873321858505	0.08414466557917422	Different Family
[O60674, P23458]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.977926189560639	8.132200550150909	0.15427436059026967	Different Family
[O60674, P23458]	c1cc(ncc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.795880017344075	7.7447274948966935	0.05115252244738144	Different Family
[O60674, P23458]	c1cc(ncc1C(=O)N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.236572006437063	7.3872161432802645	0.15064413684320144	Different Family
[O60674, P23458]	c1cc(ncc1CO)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	6.7447274948966935	7.0	0.25527250510330646	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)C(F)(F)F	P23458	O60674	8.159379381312206	6.934833115752497	1.2245462655597095	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)C(F)F	P23458	O60674	8.698970004336019	7.327902142064283	1.3710678622717358	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)C(F)(F)F	P23458	O60674	8.037860356969059	7.478318860989435	0.5595414959796239	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)C(F)F	P23458	O60674	8.309894379144197	7.740743030061056	0.5691513490831408	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)Cl	P23458	O60674	8.460409376976187	7.77642098432889	0.6839883926472972	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N)OC(F)F	P23458	O60674	8.397940008672037	7.422635896279922	0.9753041123921156	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C#N	P23458	O60674	8.221848749616356	7.657577319177793	0.5642714304385628	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C(C(F)(F)F)O	P23458	O60674	9.577450979992872	8.610924374808178	0.9665266051846935	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C(C(F)F)O	P23458	O60674	9.086962598649587	8.460409376976187	0.6265532216733991	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C4CC4	P23458	O60674	7.920818753952375	7.585026652029182	0.3357921019231931	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)Cl	P23458	O60674	8.133803120088515	7.2471537462939	0.8866493737946151	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)OC(F)F	P23458	O60674	8.221848749616356	7.4089353929735005	0.8129133566428557	Different Family
[O60674, P23458]	c1cc(ncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)c4c[nH]nc4	P23458	O60674	8.698970004336019	7.795880017344075	0.9030899869919438	Different Family
[O60674, P23458]	c1cc(nnc1C#N)N2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.657577319177793	7.920818753952375	0.2632414347745815	Different Family
[O60674, P23458]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	P23458	O60674	6.769551078621726	6.6020599913279625	0.16749108729376339	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	P23458	O60674	5.275724130399211	4.732828271596986	0.5428958588022246	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	P23458	O60674	5.267606240177032	4.5638373529592435	0.7037688872177883	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	P23458	O60674	5.214670164989233	5.657577319177793	0.4429071541885605	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	P23458	O60674	5.154901959985743	4.527243550682788	0.6276584093029554	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	P23458	O60674	5.366531544420414	5.3872161432802645	0.020684598859850745	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	P23458	O60674	5.657577319177793	5.795880017344075	0.1383026981662816	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	P23458	O60674	7.0	5.5376020021010435	1.4623979978989565	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	P23458	O60674	5.508638306165727	5.6020599913279625	0.09342168516223559	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	P23458	O60674	4.489454989793388	4.869666231504994	0.38021124171160636	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	P23458	O60674	5.468521082957745	5.795880017344075	0.32735893438633035	Different Family
[O60674, P23458]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	P23458	O60674	7.096910013008056	5.494850021680094	1.6020599913279625	Different Family
[O60674, P23458]	c1cc2c(cc1Cl)cc(cn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.221848749616356	7.638272163982407	0.5835765856339492	Different Family
[O60674, P23458]	c1cc2c(cc1F)cc(cn2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.698970004336019	7.853871964321762	0.8450980400142569	Different Family
[O60674, P23458]	c1cc2c(cc1Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)C(CS2(=O)=O)O	P23458	O60674	9.55284196865778	8.698970004336019	0.8538719643217618	Different Family
[O60674, P23458]	c1cc2c(cc1Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)C=CS2(=O)=O	P23458	O60674	9.346787486224656	7.958607314841775	1.3881801713828814	Different Family
[O60674, P23458]	c1cc2c(cc1Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)CCC(=O)N2	P23458	O60674	8.698970004336019	8.096910013008056	0.6020599913279625	Different Family
[O60674, P23458]	c1cc2c(cc1Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)CCS2(=O)=O	P23458	O60674	9.232990001445339	8.038212926656161	1.1947770747891777	Different Family
[O60674, P23458]	c1cc2c(cc1Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)CN(C2=O)CC(F)(F)F	P23458	O60674	9.384775539310862	8.750156458690798	0.6346190806200642	Different Family
[O60674, P23458]	c1cc2cc(c1)NC(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	O60674	7.017728766960432	6.982966660701219	0.03476210625921272	Different Family
[O60674, P23458]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	O60674	6.522878745280337	6.229884705212898	0.29299404006743934	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	P23458	O60674	7.494850021680094	7.6020599913279625	0.10720996964786877	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P23458	O60674	7.552841968657781	7.638272163982407	0.08543019532462637	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	P23458	O60674	6.522878745280337	6.920818753952375	0.3979400086720375	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P23458	O60674	7.823908740944319	8.301029995663981	0.4771212547196626	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P23458	O60674	7.0	7.040958607678906	0.040958607678906134	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P23458	O60674	7.886056647693163	8.0	0.11394335230683694	Different Family
[O60674, P23458]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P23458	O60674	8.3767507096021	8.721246399047171	0.3444956894450719	Different Family
[O60674, P23458]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	O60674	7.795880017344075	8.080921907623926	0.2850418902798513	Different Family
[O60674, P23458]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	O60674	7.292429823902063	7.309803919971486	0.017374096069422862	Different Family
[O60674, P23458]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	P23458	O60674	6.221848749616356	6.47755576649368	0.25570701687732367	Different Family
[O60674, P23458]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	P23458	O60674	6.913640169325252	6.931814138253839	0.018173968928587136	Different Family
[O60674, P23458]	c1cc2ccc(cc2nc1)NS(=O)(=O)c3ccc(cc3)Nc4c(cn(n4)C5CCCCC5C#N)C(=O)N	P23458	O60674	8.301029995663981	7.481486060122113	0.8195439355418683	Different Family
[O60674, P23458]	c1ccc(c(c1)CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N)Cl	P23458	O60674	9.301029995663981	8.698970004336019	0.6020599913279625	Different Family
[O60674, P23458]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	P23458	O60674	6.309803919971486	6.180456064458132	0.12934785551335448	Different Family
[O60674, P23458]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	P23458	O60674	7.187086643357144	6.259637310505756	0.9274493328513884	Different Family
[O60674, P23458]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	P23458	O60674	6.431798275933005	5.853871964321762	0.5779263116112432	Different Family
[O60674, P23458]	c1ccc(cc1)C2=C(C(=O)NC2=O)Nc3cccc(c3)OCCNc4ccnc(c4)F	P23458	O60674	5.662740460249724	4.955460239607589	0.7072802206421347	Different Family
[O60674, P23458]	c1ccc(cc1)CC2CCN(CC2)S(=O)(=O)c3ccc(cc3)Nc4c(cn(n4)C5CCCCC5C#N)C(=O)N	P23458	O60674	7.522878745280337	7.173925197299173	0.3489535479811643	Different Family
[O60674, P23458]	c1ccc(cc1)CN2CCC(CC2)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	O60674	7.075720713938118	7.075720713938118	0.0	Different Family
[O60674, P23458]	c1ccc(cc1)CNC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P23458	O60674	6.512861624522814	7.0	0.4871383754771861	Different Family
[O60674, P23458]	c1ccc(cc1)CNC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccnc(c4)F)C(=O)N	P23458	O60674	9.110924374808178	7.648784731777237	1.462139643030941	Different Family
[O60674, P23458]	c1ccc(cc1)CNC2CCC(C(C2)n3cc(c(n3)Nc4ccc(cc4)F)C(=O)N)C#N	P23458	O60674	8.178273661756906	7.014594194563741	1.1636794671931652	Different Family
[O60674, P23458]	c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	9.698970004336019	9.045757490560675	0.653212513775344	Different Family
[O60674, P23458]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	4.739928612014925	5.568636235841013	0.8287076238260882	Different Family
[O60674, P23458]	c1ccc(cc1)NC(=O)OC2CCC(C(C2)C#N)n3cc(c(n3)Nc4ccc(cc4)F)C(=O)N	P23458	O60674	8.588589177348448	7.428336435003977	1.160252742344471	Different Family
[O60674, P23458]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P23458	O60674	6.391473966422806	7.142667503568732	0.7511935371459257	Different Family
[O60674, P23458]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P23458	O60674	6.113509274827518	5.414539270491499	0.6989700043360187	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3C(CCCC3O)C#N)C(=O)N	P23458	O60674	6.452083771513491	6.247425010840047	0.20465876067344446	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CC(CCC3C#N)O)C(=O)N	P23458	O60674	7.696272488392665	6.917600590153272	0.7786718982393932	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)F)C(=O)N	P23458	O60674	8.397940008672037	7.552841968657781	0.8450980400142569	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N	P23458	O60674	9.0	7.214670164989233	1.7853298350107671	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N	P23458	O60674	9.1249387366083	7.4089353929735005	1.7160033436347994	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CCC(CC3C#N)O)C(=O)N	P23458	O60674	8.460409376976187	7.369964306007462	1.090445070968725	Different Family
[O60674, P23458]	c1ccc(cc1)Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.008864383480216	7.19149982943955	0.8173645540406653	Different Family
[O60674, P23458]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	P23458	O60674	7.0915149811213505	7.3872161432802645	0.29570116215891407	Different Family
[O60674, P23458]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	P23458	O60674	4.94692155651658	4.688246138944246	0.25867541757233425	Different Family
[O60674, P23458]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	O60674	4.935542010773082	5.552841968657781	0.6172999578846987	Different Family
[O60674, P23458]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	P23458	O60674	8.698970004336019	8.301029995663981	0.3979400086720375	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCCNc5ccnc(c5)F	P23458	O60674	5.97469413473523	5.896196279044043	0.07849785569118684	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	P23458	O60674	5.686554629573586	5.013810700263176	0.6727439293104105	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(C5)c6ccnc(c6)F	P23458	O60674	5.920099786344427	5.868508819960471	0.051590966383955994	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(CC5)c6ccnc(c6)F	P23458	O60674	5.317043073698792	5.896196279044043	0.5791532053452508	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CN(C5)c6ccnc(c6)F	P23458	O60674	5.3875340360468575	4.996539467890494	0.3909945681563638	Different Family
[O60674, P23458]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P23458	O60674	6.373659632624958	5.671620396561262	0.7020392360636958	Different Family
[O60674, P23458]	c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	9.045757490560675	8.397940008672037	0.6478174818886373	Different Family
[O60674, P23458]	c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)Nc3c(cn(n3)C4CCCCC4C#N)C(=O)N	P23458	O60674	8.522878745280337	8.045757490560675	0.4771212547196626	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CC5(C4)CCC5)C(=O)N)F	P23458	O60674	9.15051499783199	7.178668834278982	1.9718461635530087	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCC(CC3C#N)N4CCC4)C(=O)N)F	P23458	O60674	8.548455006504028	7.296474592597875	1.2519804139061534	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)(F)F)C(=O)N)F	P23458	O60674	9.0	7.795880017344075	1.204119982655925	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCC(CC3C#N)NCC(F)F)C(=O)N)F	P23458	O60674	8.284318117920506	7.378605095260662	0.9057130226598442	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCC4(CC4)CC3C#N)C(=O)N)F	P23458	O60674	8.301029995663981	7.721246399047171	0.5797835966168101	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)C(F)(F)F	P23458	O60674	7.721246399047171	6.910094888560602	0.8111515104865692	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)Cl	P23458	O60674	8.397940008672037	7.508638306165727	0.8893017025063106	Different Family
[O60674, P23458]	c1cnc(cc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N)F	P23458	O60674	8.698970004336019	7.6777807052660805	1.0211892990699383	Different Family
[O60674, P23458]	c1cnncc1Nc2c(cn(n2)C3CCCCC3C#N)C(=O)N	P23458	O60674	8.522878745280337	7.552841968657781	0.9700367766225568	Different Family
[P17252, P23458]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P23458	P17252	5.481486060122113	5.173925197299174	0.30756086282293893	Different Group
[P17252, P23458]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P23458	P17252	7.698970004336019	5.886056647693163	1.8129133566428557	Different Group
[P17252, P23458]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P23458	P17252	7.045757490560675	5.585026652029182	1.460730838531493	Different Group
[P17252, P23458]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P23458	P17252	8.522878745280337	5.886056647693163	2.6368220975871743	Different Group
[P17252, P23458]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P23458	P17252	7.3979400086720375	5.769551078621726	1.6283889300503116	Different Group
[P17252, P23458]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P23458	P17252	7.522878745280337	5.769551078621726	1.7533276666586115	Different Group
[P17252, P23458]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P23458	P17252	7.698970004336019	5.552841968657781	2.146128035678238	Different Group
[P17252, P23458]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P23458	P17252	7.522878745280337	4.7447274948966935	2.778151250383644	Different Group
[P17252, P23458]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P23458	P17252	6.585026652029182	7.275724130399211	0.690697478370029	Different Group
[P17252, P23458]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P23458	P17252	7.977926189560639	6.886056647693163	1.0918695418674762	Different Group
[P17252, P23458]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P23458	P17252	6.113509274827518	6.480172006224281	0.3666627313967634	Different Group
[P23458, P29597]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCO)Cl	P23458	P29597	7.958607314841775	6.853871964321762	1.1047353505200128	Same Family
[P23458, P29597]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	P23458	P29597	6.129011186239425	5.505845405981558	0.6231657802578674	Same Family
[P23458, P29597]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	P29597	7.443697499232713	6.835647144215563	0.6080503550171503	Same Family
[P23458, P29597]	CC(C)(C(=O)N1CCN(CC1)c2ccc(c(c2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5)C(F)(F)F)O	P23458	P29597	6.507239610973162	5.771856392402258	0.7353832185709042	Same Family
[P23458, P29597]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	P29597	5.054531414868181	5.156144577376839	0.10161316250865848	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	P29597	7.522878745280337	6.575118363368933	0.9477603819114044	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	P23458	P29597	6.686132779630847	5.809668301829708	0.8764644778011386	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN(C)C	P23458	P29597	6.149966742310231	5.3872161432802645	0.7627505990299666	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	P23458	P29597	6.184422251675732	5.573488738635425	0.6109335130403073	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCOCC4	P23458	P29597	6.752026733638194	6.120904120499927	0.6311226131382668	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	P23458	P29597	7.107905397309519	6.030584087646019	1.0773213096635006	Same Family
[P23458, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCOC	P23458	P29597	6.889410289700751	5.8297382846050425	1.0596720050957087	Same Family
[P23458, P29597]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	P29597	7.4089353929735005	6.694648630553377	0.7142867624201239	Same Family
[P23458, P29597]	CC(C)(c1cccc(c1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)O	P23458	P29597	6.636388020107856	5.175874166083451	1.4605138540244047	Same Family
[P23458, P29597]	CC(C)CS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	7.853871964321762	6.319664486585437	1.5342074777363246	Same Family
[P23458, P29597]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	5.508638306165727	5.568636235841013	0.059997929675286166	Same Family
[P23458, P29597]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	P23458	P29597	5.698970004336019	4.590066876668706	1.108903127667313	Same Family
[P23458, P29597]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	P23458	P29597	7.434994025164048	7.148612461049478	0.2863815641145706	Same Family
[P23458, P29597]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	P23458	P29597	7.427868613119005	6.958607314841775	0.46926129827722995	Same Family
[P23458, P29597]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	P23458	P29597	7.442694507883914	7.379975113943676	0.06271939394023818	Same Family
[P23458, P29597]	CC1(CC(C1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)CC#N	P23458	P29597	7.652259161754901	5.446639443338771	2.2056197184161297	Same Family
[P23458, P29597]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	P23458	P29597	7.06246936830415	6.799299729609228	0.26316963869492227	Same Family
[P23458, P29597]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	P23458	P29597	7.519289452966776	7.872363747448347	0.353074294481571	Same Family
[P23458, P29597]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	P23458	P29597	6.763621775341393	6.772577569995745	0.008955794654351479	Same Family
[P23458, P29597]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P23458	P29597	8.21298436613614	9.221848749616356	1.0088643834802156	Same Family
[P23458, P29597]	CCCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	8.045757490560675	6.257274868695302	1.7884826218653727	Same Family
[P23458, P29597]	CCCOc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.2076083105017466	6.889410289700751	0.31819802080099535	Same Family
[P23458, P29597]	CCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	7.173925197299173	5.442492798094342	1.7314323992048308	Same Family
[P23458, P29597]	CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	7.5376020021010435	5.903089986991944	1.6345120151090997	Same Family
[P23458, P29597]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	7.5376020021010435	5.690369832574102	1.8472321695269418	Same Family
[P23458, P29597]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	P29597	6.876148359032914	5.97061622231479	0.9055321367181239	Same Family
[P23458, P29597]	CCOC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	6.00436480540245	5.764471553092451	0.23989325230999903	Same Family
[P23458, P29597]	CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3	P23458	P29597	8.541384521230281	7.5169583475899415	1.0244261736403395	Same Family
[P23458, P29597]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	P23458	P29597	6.481486060122113	6.657577319177793	0.17609125905568046	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC(=O)NCCOC)C(=O)N(C4CC4)C5CC5	P23458	P29597	6.657577319177793	6.537602002101044	0.11997531707674902	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC(=O)OCCOC)C(=O)N(C4CC4)C5CC5	P23458	P29597	5.769551078621726	5.769551078621726	0.0	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)NC)C(=O)N(C4CC4)C5CC5	P23458	P29597	7.187086643357144	7.154901959985743	0.032184683371401235	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	P23458	P29597	5.721246399047171	6.161150909262744	0.4399045102155732	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	7.795880017344075	8.721246399047171	0.9253663817030962	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	7.1249387366083	7.180456064458132	0.055517327849831766	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	6.267606240177032	5.638272163982407	0.6293340761946249	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	6.568636235841013	6.958607314841775	0.38997107900076156	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(cs4)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	7.337242168318426	7.346787486224656	0.009545317906230366	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4ncc(s4)C)C(=O)N(C5CC5)C6CC6	P23458	P29597	7.214670164989233	7.337242168318426	0.12257200332919282	Same Family
[P23458, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nccs4)C(=O)N(C5CC5)C6CC6	P23458	P29597	7.3979400086720375	7.552841968657781	0.15490195998574308	Same Family
[P23458, P29597]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	P29597	5.508638306165727	5.288192770958809	0.22044553520691768	Same Family
[P23458, P29597]	CN(C)C1CCN(C1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(c(c5)Cl)Cl	P23458	P29597	7.3872161432802645	7.346787486224656	0.0404286570556085	Same Family
[P23458, P29597]	CN(C)C1CCN(C1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)OC	P23458	P29597	6.801342913045577	6.614393726401688	0.18694918664388904	Same Family
[P23458, P29597]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	7.096910013008056	7.154901959985743	0.05799194697768684	Same Family
[P23458, P29597]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	7.4089353929735005	7.154901959985743	0.2540334329877574	Same Family
[P23458, P29597]	CN(CCC#N)S(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	P23458	P29597	7.657577319177793	5.924453038607469	1.7331242805703244	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)C4CCC(C4)C#N	P23458	P29597	7.73877788324684	5.779923435113219	1.9588544481336205	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	P23458	P29597	8.301029995663981	6.235077015350112	2.0659529803138694	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CCC4CC4	P23458	P29597	7.853871964321762	5.835647144215563	2.018224820106199	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	P23458	P29597	8.035290537142853	6.155612172363577	1.8796783647792754	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	P23458	P29597	8.221848749616356	6.446116973356125	1.7757317762602307	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(F)F	P23458	P29597	8.045757490560675	6.146910470148135	1.89884702041254	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4cc(ccn4)C#N	P23458	P29597	8.221848749616356	6.3788237182249645	1.8430250313913916	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	P23458	P29597	8.397940008672037	6.616184634019569	1.7817553746524686	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	P23458	P29597	8.301029995663981	6.490797477668897	1.8102325179950842	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)CC#N	P23458	P29597	7.983288122256525	5.791251697890901	2.1920364243656234	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CN(C4)C5CC5	P23458	P29597	8.221848749616356	5.308918507877031	2.912930241739325	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC(F)(F)F	P23458	P29597	7.657577319177793	5.991399828238082	1.6661774909397113	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	P23458	P29597	8.221848749616356	6.056505484093897	2.165343265522459	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4CC(C4)(F)F	P23458	P29597	8.221848749616356	6.113509274827518	2.1083394747888384	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4COC4	P23458	P29597	7.552841968657781	5.623423042943488	1.9294189257142929	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	P23458	P29597	8.397940008672037	6.478861916295964	1.9190780923760737	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC(C4)O5	P23458	P29597	7.468521082957745	5.692503962086787	1.7760171208709572	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC5(C4)C#N	P23458	P29597	7.933230545814891	5.9767426630094835	1.9564878828054075	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	P23458	P29597	9.0	6.437707135543525	2.5622928644564746	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)NCC4CC4	P23458	P29597	7.292429823902063	5.749579997691106	1.542849826210957	Same Family
[P23458, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)c4cc(ccn4)C#N	P23458	P29597	8.522878745280337	6.585026652029182	1.9378520932511556	Same Family
[P23458, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5ccc(cc5)Cl	P23458	P29597	8.244125144327509	8.55284196865778	0.30871682433027203	Same Family
[P23458, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)c4cc(cc(c4[nH]3)C(=O)N)c5cccc(c5)OC	P23458	P29597	7.346787486224656	7.4089353929735005	0.062147906748844406	Same Family
[P23458, P29597]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P23458	P29597	5.481486060122113	5.173925197299174	0.30756086282293893	Same Family
[P23458, P29597]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccc(c(c5)Cl)CN6CCOCC6	P23458	P29597	6.364516253185088	6.705533773838407	0.3410175206533186	Same Family
[P23458, P29597]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)Cl	P23458	P29597	6.709965388637482	6.795880017344075	0.08591462870659328	Same Family
[P23458, P29597]	CN1CCN(CC1)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccccc5	P23458	P29597	6.85078088734462	7.1487416512809245	0.2979607639363042	Same Family
[P23458, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	P23458	P29597	6.675717544702307	5.876148359032914	0.7995691856693927	Same Family
[P23458, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	P23458	P29597	7.154901959985743	6.681936665037238	0.47296529494850503	Same Family
[P23458, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	P23458	P29597	6.537602002101044	6.028260409112222	0.5093415929888225	Same Family
[P23458, P29597]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	P23458	P29597	6.823908740944319	5.251811972993799	1.5720967679505193	Same Family
[P23458, P29597]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	P23458	P29597	7.045757490560675	5.3872161432802645	1.6585413472804102	Same Family
[P23458, P29597]	COC(=O)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	6.301029995663981	6.119186407719209	0.18184358794477262	Same Family
[P23458, P29597]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P23458	P29597	7.455931955649724	6.39040559077478	1.0655263648749447	Same Family
[P23458, P29597]	COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	P23458	P29597	7.533256356075647	4.552841968657781	2.9804143874178664	Same Family
[P23458, P29597]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	P23458	P29597	7.214495163845347	4.943095148663527	2.27140001518182	Same Family
[P23458, P29597]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	P23458	P29597	7.154901959985743	6.284832642151542	0.8700693178342007	Same Family
[P23458, P29597]	COc1ccc(cc1F)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.173925197299173	6.696803942579511	0.4771212547196617	Same Family
[P23458, P29597]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.5376020021010435	7.494850021680094	0.04275198042094974	Same Family
[P23458, P29597]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.309803919971486	6.767003889607846	0.5428000303636402	Same Family
[P23458, P29597]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	P23458	P29597	7.113509274827518	7.060480747381382	0.053028527446135953	Same Family
[P23458, P29597]	CS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCOCC3)C(=O)N	P23458	P29597	7.657577319177793	7.221848749616356	0.43572856956143724	Same Family
[P23458, P29597]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	P23458	P29597	6.423658649794207	6.051587034221399	0.37207161557280877	Same Family
[P23458, P29597]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	5.431798275933005	5.455931955649724	0.024133679716719314	Same Family
[P23458, P29597]	Cc1ccc(cn1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P23458	P29597	7.0	6.931814138253839	0.06818586174616126	Same Family
[P23458, P29597]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccc4	P23458	P29597	5.508638306165727	6.113509274827518	0.6048709686617908	Same Family
[P23458, P29597]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	P23458	P29597	6.886056647693163	7.522878745280337	0.6368220975871743	Same Family
[P23458, P29597]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	P23458	P29597	7.0	6.823908740944319	0.17609125905568135	Same Family
[P23458, P29597]	Cc1ncc(s1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3	P23458	P29597	8.337242168318426	6.262807357295263	2.0744348110231625	Same Family
[P23458, P29597]	Cn1c2ccc(cc2cn1)c3cc4c5ccc(cc5[nH]c4c(c3)C(=O)N)N6CCN(CC6)C	P23458	P29597	6.4698003017969175	6.607303046740334	0.13750274494341674	Same Family
[P23458, P29597]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P23458	P29597	7.045757490560675	6.522878745280337	0.5228787452803374	Same Family
[P23458, P29597]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	P23458	P29597	5.748605149959896	5.292089334286894	0.4565158156730016	Same Family
[P23458, P29597]	Cn1cc2c(n1)CN(C2)S(=O)(=O)NC3CC(C3)N(C)c4c5cc[nH]c5ncn4	P23458	P29597	7.337242168318426	5.131943638176958	2.2052985301414676	Same Family
[P23458, P29597]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	P23458	P29597	7.040958607678906	8.00436480540245	0.9634061977235433	Same Family
[P23458, P29597]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	P23458	P29597	8.4089353929735	8.318758762624412	0.09017663034908807	Same Family
[P23458, P29597]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	P23458	P29597	5.564155634015559	5.249954687988232	0.3142009460273263	Same Family
[P23458, P29597]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P23458	P29597	8.522878745280337	7.301029995663981	1.2218487496163561	Same Family
[P23458, P29597]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P23458	P29597	7.698970004336019	7.221848749616356	0.4771212547196626	Same Family
[P23458, P29597]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P23458	P29597	7.522878745280337	5.920818753952375	1.6020599913279625	Same Family
[P23458, P29597]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	P23458	P29597	7.346787486224656	7.376750709602099	0.02996322337744317	Same Family
[P23458, P29597]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3cccnc3)N)F	P23458	P29597	6.795880017344075	6.522878745280337	0.2730012720637376	Same Family
[P23458, P29597]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	P23458	P29597	5.721475035262983	6.216096420727265	0.49462138546428225	Same Family
[P23458, P29597]	c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	P23458	P29597	7.2839966563652006	7.508638306165727	0.22464164980052637	Same Family
[P23458, P29597]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	5.0915149811213505	5.366531544420414	0.2750165632990633	Same Family
[P23458, P29597]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	P23458	P29597	6.0	6.187086643357144	0.1870866433571443	Same Family
[P23458, P29597]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	P23458	P29597	6.991399828238082	6.413412695328245	0.5779871329098372	Same Family
[P23458, P29597]	c1cc(cc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N)C(=O)O	P23458	P29597	6.214670164989233	6.161150909262744	0.053519255726488524	Same Family
[P23458, P29597]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P23458	P29597	6.585026652029182	5.823908740944319	0.7611179110848632	Same Family
[P23458, P29597]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	7.721246399047171	7.154901959985743	0.5663444390614281	Same Family
[P23458, P29597]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	5.5376020021010435	5.6020599913279625	0.06445798922691903	Same Family
[P23458, P29597]	c1cc(ccc1c2cc3c(s2)c(cnc3N)C(=O)N)N4CCOCC4	P23458	P29597	7.4089353929735005	7.180456064458132	0.22847932851536878	Same Family
[P23458, P29597]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	P23458	P29597	5.031517051446065	5.494850021680094	0.46333297023402853	Same Family
[P23458, P29597]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	P23458	P29597	7.0	5.494850021680094	1.5051499783199063	Same Family
[P23458, P29597]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P23458	P29597	7.698970004336019	5.318758762624412	2.3802112417116064	Same Family
[P23458, P29597]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	P23458	P29597	6.769551078621726	6.823908740944319	0.05435766232259276	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	P23458	P29597	5.275724130399211	4.512861624522814	0.7628625058763969	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	P23458	P29597	5.267606240177032	4.508638306165727	0.7589679340113049	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	P23458	P29597	5.214670164989233	5.1938200260161125	0.02085013897312038	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	P23458	P29597	5.154901959985743	4.374687549038326	0.7802144109474174	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	P23458	P29597	5.366531544420414	5.481486060122113	0.11495451570169912	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	P23458	P29597	5.657577319177793	5.6020599913279625	0.05551732784983088	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	P23458	P29597	7.0	5.508638306165727	1.491361693834273	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	P23458	P29597	5.508638306165727	5.431798275933005	0.0768400302327219	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	P23458	P29597	4.489454989793388	5.236572006437063	0.7471170166436751	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	P23458	P29597	5.468521082957745	5.552841968657781	0.08432088570003593	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	P23458	P29597	7.096910013008056	5.366531544420414	1.7303784685876424	Same Family
[P23458, P29597]	c1cc2c(cc1C(=O)N3CCOCC3)c4cc(cc(c4[nH]2)C(=O)N)c5ccc(cc5Cl)Cl	P23458	P29597	7.508638306165727	7.3979400086720375	0.11069829749368942	Same Family
[P23458, P29597]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	P29597	6.522878745280337	6.080921907623926	0.44195683765641114	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	P23458	P29597	7.494850021680094	6.97469413473523	0.5201558869448641	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P23458	P29597	7.552841968657781	7.275724130399211	0.2771178382585697	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	P23458	P29597	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P23458	P29597	7.823908740944319	6.826813731587726	0.9970950093565927	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P23458	P29597	7.0	6.522878745280337	0.4771212547196626	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P23458	P29597	7.886056647693163	7.455931955649724	0.4301246920434387	Same Family
[P23458, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P23458	P29597	8.3767507096021	7.6020599913279625	0.7746907182741367	Same Family
[P23458, P29597]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	P29597	7.795880017344075	7.366531544420414	0.4293484729236612	Same Family
[P23458, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	P29597	7.292429823902063	6.3979400086720375	0.8944898152300258	Same Family
[P23458, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	P23458	P29597	6.221848749616356	6.3585258894959	0.1366771398795441	Same Family
[P23458, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	P23458	P29597	6.913640169325252	6.6252516539898965	0.28838851533535514	Same Family
[P23458, P29597]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	P23458	P29597	6.309803919971486	6.552841968657781	0.24303804868629442	Same Family
[P23458, P29597]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	P23458	P29597	7.187086643357144	8.173925197299173	0.9868385539420288	Same Family
[P23458, P29597]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	P23458	P29597	6.431798275933005	6.431798275933005	0.0	Same Family
[P23458, P29597]	c1ccc(cc1)CNC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P23458	P29597	6.512861624522814	5.585026652029182	0.9278349724936321	Same Family
[P23458, P29597]	c1ccc(cc1)Cc2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	6.772113295386326	6.747146969020107	0.024966326366219427	Same Family
[P23458, P29597]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	4.739928612014925	5.1249387366083	0.385010124593375	Same Family
[P23458, P29597]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	P23458	P29597	6.391473966422806	5.701146923590294	0.6903270428325126	Same Family
[P23458, P29597]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P23458	P29597	6.113509274827518	5.636388020107856	0.4771212547196617	Same Family
[P23458, P29597]	c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P23458	P29597	6.638272163982407	6.443697499232713	0.19457466474969376	Same Family
[P23458, P29597]	c1ccc(cc1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.7447274948966935	7.795880017344075	0.05115252244738144	Same Family
[P23458, P29597]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	P23458	P29597	7.508638306165727	7.154901959985743	0.35373634617998384	Same Family
[P23458, P29597]	c1ccc(cc1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)N5CCOCC5	P23458	P29597	6.661543506395395	6.801342913045577	0.13979940665018198	Same Family
[P23458, P29597]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	P23458	P29597	7.0915149811213505	6.3979400086720375	0.693574972449313	Same Family
[P23458, P29597]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	P23458	P29597	4.94692155651658	5.568636235841013	0.621714679324433	Same Family
[P23458, P29597]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	P23458	P29597	4.935542010773082	5.376750709602099	0.44120869882901737	Same Family
[P23458, P29597]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	P23458	P29597	8.698970004336019	8.045757490560675	0.653212513775344	Same Family
[P23458, P29597]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	P23458	P29597	5.686554629573586	5.006828394969235	0.6797262346043516	Same Family
[P23458, P29597]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(C5)c6ccnc(c6)F	P23458	P29597	5.920099786344427	5.079011881328019	0.8410879050164084	Same Family
[P23458, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P23458	Q9UM73	8.21298436613614	7.948515197953478	0.26446916818266253	Different Group
[P23458, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P23458	Q9UM73	6.950781977329818	7.590228032229065	0.6394460548992473	Different Group
[P23458, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P23458	Q9UM73	5.481486060122113	5.638272163982407	0.156786103860294	Different Group
[P23458, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P23458	Q9UM73	6.585026652029182	6.119186407719209	0.4658402443099732	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P23458	Q9UM73	7.552841968657781	5.910094888560602	1.6427470800971786	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P23458	Q9UM73	7.823908740944319	6.552841968657781	1.271066772286538	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P23458	Q9UM73	7.0	5.086186147616283	1.9138138523837167	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P23458	Q9UM73	7.886056647693163	5.815308569182402	2.0707480785107615	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P23458	Q9UM73	8.3767507096021	6.151195298948196	2.225555410653903	Different Group
[P23458, Q9UM73]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P23458	Q9UM73	7.795880017344075	5.688246138944246	2.107633878399829	Different Group
[O14965, P23458]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P23458	O14965	8.21298436613614	8.160579629225387	0.05240473691075387	Different Group
[O14965, P23458]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	P23458	O14965	6.950781977329818	6.667561540084395	0.283220437245423	Different Group
[O14965, P23458]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P23458	O14965	7.455931955649724	7.366531544420414	0.08940041122931053	Different Group
[O14965, P23458]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P23458	O14965	7.698970004336019	6.1938200260161125	1.5051499783199063	Different Group
[O14965, P23458]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P23458	O14965	7.045757490560675	6.468521082957745	0.5772364076029302	Different Group
[O14965, P23458]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P23458	O14965	8.522878745280337	6.886056647693163	1.6368220975871743	Different Group
[O14965, P23458]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P23458	O14965	7.3979400086720375	5.366531544420414	2.0314084642516237	Different Group
[O14965, P23458]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P23458	O14965	7.522878745280337	6.130768280269024	1.3921104650113136	Different Group
[O14965, P23458]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P23458	O14965	7.698970004336019	6.2441251443275085	1.4548448600085102	Different Group
[O14965, P23458]	c1c[nH]c2c1n3c(cn2)cnc3C4CCCCC4	P23458	O14965	8.0	6.568636235841013	1.431363764158987	Different Group
[O14965, P23458]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P23458	O14965	7.522878745280337	4.815308569182402	2.707570176097936	Different Group
[O14965, P23458]	c1c[nH]c2c1n3c(cnc3cn2)C4CCCCC4	P23458	O14965	8.397940008672037	7.3979400086720375	1.0	Different Group
[O14965, P23458]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P23458	O14965	6.585026652029182	5.508638306165727	1.0763883458634549	Different Group
[O14965, P23458]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P23458	O14965	7.698970004336019	7.522878745280337	0.17609125905568135	Different Group
[O14965, P49840]	CC(=O)Nc1cc(ccn1)c2nnc(o2)SCc3ccccc3	P49840	O14965	7.698970004336019	4.221848749616356	3.4771212547196626	Different Group
[O14965, P49840]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P49840	O14965	7.552841968657781	8.160579629225387	0.6077376605676061	Different Group
[O14965, P49840]	COc1ccc(c(c1)C#N)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49840	O14965	8.301029995663981	4.346787486224656	3.954242509439325	Different Group
[O14965, P49840]	COc1ccc(cc1)CNC(=O)Nc2nc3ccc(cc3s2)c4[nH]nnn4	P49840	O14965	3.886056647693163	2.318758762624413	1.5672978850687502	Different Group
[O14965, P49840]	COc1ccc(cc1)c2ccc(cc2)CSc3nnc(o3)c4ccc5c(c4)OCO5	P49840	O14965	8.154901959985743	4.3979400086720375	3.7569619513137056	Different Group
[O14965, P49840]	c1cc(cc(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)C#N	P49840	O14965	7.337242168318426	4.221848749616356	3.1153934187020695	Different Group
[O14965, P49840]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCCO4)c5ccc(cc5)C#N	P49840	O14965	6.709965388637482	4.301029995663981	2.4089353929735005	Different Group
[O14965, P49840]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5)C#N	P49840	O14965	8.221848749616356	4.522878745280337	3.6989700043360187	Different Group
[O14965, P49840]	c1cc(ccc1CSc2nnc(o2)c3ccc4c(c3)OCO4)c5ccc(cc5C#N)F	P49840	O14965	8.698970004336019	4.522878745280337	4.176091259055681	Different Group
[O14965, P49840]	c1ccc(c(c1)c2ccc(cc2)CSc3nnc(o3)c4ccncc4)[N+](=O)[O-]	P49840	O14965	7.568636235841013	5.301029995663981	2.267606240177032	Different Group
[P80192, Q02779]	CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P80192	Q02779	7.533256356075647	5.731656086048935	1.8016002700267117	Same Family
[P80192, Q02779]	CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	P80192	Q02779	7.657577319177793	7.346787486224656	0.31078983295313733	Same Family
[P80192, Q02779]	CCSCc1ccc2c(c1)c3c4c(c5c6cc(ccc6n7c5c3n2C8CC(C7(O8)C)(C(=O)OC)O)CSCC)CNC4=O	P80192	Q02779	7.2814419534759605	8.698970004336019	1.4175280508600583	Same Family
[P80192, Q02779]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P80192	Q02779	7.721246399047171	7.376750709602099	0.3444956894450719	Same Family
[P80192, Q02779]	COc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)CNC4=O	P80192	Q02779	6.941679527169436	5.800793520838342	1.140886006331094	Same Family
[P80192, Q02779]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	P80192	Q02779	6.949745802749019	5.462558716592052	1.4871870861569674	Same Family
[P80192, Q02779]	c1ccc-2c(c1)CCc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4=O	P80192	Q02779	7.351667404869234	6.4698003017969175	0.8818671030723166	Same Family
[P80192, Q02779]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)C(=O)NC4	P80192	Q02779	6.777283528852417	5.574465779501737	1.2028177493506798	Same Family
[P80192, Q02779]	c1ccc-2c(c1)Cc3c2c4c(c5c3[nH]c6c5cccc6)CNC4=O	P80192	Q02779	7.161150909262744	6.438898616350944	0.7222522929118007	Same Family
[P80192, Q02779]	c1ccc2c(c1)c3c4c(c5c6ccccc6sc5c3[nH]2)C(=O)NC4	P80192	Q02779	6.954677021213342	5.680269505669775	1.274407515543567	Same Family
[P80192, Q02779]	c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	P80192	Q02779	7.168770306132937	6.115204636051019	1.0535656700819178	Same Family
[P05129, Q05655]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q05655	5.301029995663981	5.154901959985743	0.14612803567823818	Same Family
[P05129, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q05655	5.886056647693163	6.013228265733755	0.12717161804059174	Same Family
[P05129, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05129	Q05655	5.107905397309519	6.327902142064283	1.2199967447547637	Same Family
[P05129, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05129	Q05655	4.886056647693163	6.481486060122113	1.5954294124289499	Same Family
[P05129, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q05655	6.522878745280337	6.522878745280337	0.0	Same Family
[P05129, Q05655]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	Q05655	6.522878745280337	6.6020599913279625	0.07918124604762511	Same Family
[P05129, Q05655]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P05129	Q05655	7.522878745280337	7.494850021680094	0.028028723600243666	Same Family
[P05129, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	Q05655	6.301029995663981	6.3979400086720375	0.09691001300805624	Same Family
[P05129, Q05655]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	Q05655	5.494850021680094	5.552841968657781	0.05799194697768684	Same Family
[P05129, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	Q05655	6.568636235841013	6.769551078621726	0.2009148427807128	Same Family
[P05129, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)O	P05129	Q05655	5.769551078621726	7.301029995663981	1.5314789170422554	Same Family
[P05129, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)O	P05129	Q05655	6.42021640338319	7.0	0.5797835966168101	Same Family
[P05129, Q05655]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P05129	Q05655	4.638272163982407	6.1249387366083	1.486666572625893	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05129	Q05655	5.455931955649724	5.376750709602099	0.07918124604762511	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	Q05655	6.301029995663981	6.3979400086720375	0.09691001300805624	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	Q05655	6.3979400086720375	6.3979400086720375	0.0	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05129	Q05655	5.154901959985743	5.221848749616356	0.06694678963061307	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	Q05655	5.698970004336019	6.0	0.30102999566398125	Same Family
[P05129, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	Q05655	5.698970004336019	6.3979400086720375	0.6989700043360187	Same Family
[P05129, Q05655]	c1c2c(c(c(c1O)O)O)-c3c(cc(c(c3O)O)O)COC2	P05129	Q05655	4.495699914119041	4.366649016557956	0.12905089756108534	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	Q05655	8.15051499783199	7.9604093769761874	0.19010562085580318	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P05129	Q05655	7.823908740944319	8.048455006504028	0.22454626555970947	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	Q05655	8.301029995663981	8.301029995663981	0.0	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	Q05655	7.610924374808178	8.261439372640169	0.6505149978319906	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)C(=O)O	P05129	Q05655	7.1419983281826	7.911954370472159	0.769956042289559	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	8.0	9.022878745280337	1.0228787452803374	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Oc4ccc(cc4)O)O)C(=O)O	P05129	Q05655	6.6020599913279625	7.698970004336019	1.0969100130080562	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	7.221848749616356	7.045757490560675	0.17609125905568135	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	6.0	7.045757490560675	1.0457574905606748	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	5.366531544420414	5.3979400086720375	0.03140846425162369	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	6.0	7.045757490560675	1.0457574905606748	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	5.657577319177793	7.301029995663981	1.6434526764861879	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)C(=O)O	P05129	Q05655	7.3979400086720375	8.301029995663981	0.9030899869919438	Same Family
[P05129, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05655	7.903437700822769	8.301029995663981	0.3975922948412123	Same Family
[P05129, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	Q05655	5.187086643357144	5.107905397309519	0.07918124604762511	Same Family
[P05129, Q05655]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N	P05129	Q05655	5.920818753952375	6.031517051446065	0.11069829749369031	Same Family
[P05129, Q05655]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P05129	Q05655	6.568636235841013	5.214670164989233	1.3539660708517802	Same Family
[P05129, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05129	Q05655	5.6777807052660805	5.585026652029182	0.09275405323689867	Same Family
[P05129, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	Q05655	5.657577319177793	5.481486060122113	0.17609125905568046	Same Family
[P05129, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P05129	Q05655	5.6020599913279625	5.698970004336019	0.09691001300805624	Same Family
[P05129, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	Q05655	5.698970004336019	6.161150909262744	0.4621809049267256	Same Family
[P05129, P17252]	CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)N)O)O)C)O	P05129	P17252	5.236572006437063	5.991399828238082	0.7548278218010189	Same Family
[P05129, P17252]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P17252	5.301029995663981	5.221848749616356	0.07918124604762511	Same Family
[P05129, P17252]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P17252	5.886056647693163	6.468521082957745	0.5824644352645816	Same Family
[P05129, P17252]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05129	P17252	5.107905397309519	5.510807163199087	0.4029017658895677	Same Family
[P05129, P17252]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05129	P17252	4.886056647693163	5.462591779677412	0.5765351319842491	Same Family
[P05129, P17252]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P17252	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P05129, P17252]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P17252	6.522878745280337	6.443697499232713	0.07918124604762422	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C=C	P05129	P17252	6.494850021680094	6.6020599913279625	0.10720996964786877	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cc7ccccc7nc6	P05129	P17252	7.327902142064283	7.958607314841775	0.6307051727774917	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccc7ccccc7c6	P05129	P17252	6.958607314841775	7.2441251443275085	0.2855178294857339	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccc7c6cccc7	P05129	P17252	5.468521082957745	5.920818753952375	0.45229767099463025	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccccc6	P05129	P17252	6.431798275933005	6.823908740944319	0.39211046501131364	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccnc6	P05129	P17252	6.6777807052660805	6.920818753952375	0.24303804868629442	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccs6	P05129	P17252	6.552841968657781	6.657577319177793	0.10473535052001282	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cncc7c6cccc7	P05129	P17252	6.6020599913279625	6.537602002101044	0.06445798922691814	Same Family
[P05129, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6csc7c6cccc7	P05129	P17252	6.1487416512809245	6.214670164989233	0.06592851370830832	Same Family
[P05129, P17252]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	P17252	6.301029995663981	6.698970004336019	0.3979400086720375	Same Family
[P05129, P17252]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P17252	5.494850021680094	5.7447274948966935	0.2498774732165998	Same Family
[P05129, P17252]	CN1CCN(CC1)CCCn2c3ccccc3c(n2)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)c7ccc8ccccc8c7	P05129	P17252	5.886056647693163	6.494850021680094	0.6087933739869307	Same Family
[P05129, P17252]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P17252	6.568636235841013	6.619788758288394	0.051152522447380555	Same Family
[P05129, P17252]	COCc1cc(c(c(c1c2c(cc(c(c2O)O)O)COC)O)O)O	P05129	P17252	4.301029995663981	4.366531544420414	0.06550154875643255	Same Family
[P05129, P17252]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P05129	P17252	4.638272163982407	5.400841570820888	0.7625694068384812	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05129	P17252	5.455931955649724	5.42021640338319	0.035715552266534445	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	P17252	6.301029995663981	6.3979400086720375	0.09691001300805624	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	P17252	6.3979400086720375	6.522878745280337	0.1249387366082999	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05129	P17252	5.154901959985743	5.221848749616356	0.06694678963061307	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	P17252	5.698970004336019	6.096910013008056	0.3979400086720375	Same Family
[P05129, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	P17252	5.698970004336019	6.522878745280337	0.8239087409443187	Same Family
[P05129, P17252]	c1c2c(c(c(c1O)O)O)-c3c(cc(c(c3O)O)O)COC2	P05129	P17252	4.495699914119041	4.431798275933005	0.063901638186036	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	P17252	8.15051499783199	7.698970004336019	0.4515449934959719	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P05129	P17252	7.823908740944319	7.548455006504028	0.27545373444029053	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	P17252	8.301029995663981	7.698970004336019	0.6020599913279625	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	P17252	7.610924374808178	7.349485002168009	0.2614393726401687	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	8.0	7.3979400086720375	0.6020599913279625	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	7.221848749616356	6.568636235841013	0.6532125137753431	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	6.0	5.173925197299174	0.826074802700826	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	5.366531544420414	5.017728766960432	0.3488027774599818	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	6.0	5.481486060122113	0.5185139398778871	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	5.657577319177793	5.292429823902063	0.3651474952757301	Same Family
[P05129, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P17252	7.903437700822769	7.657577319177793	0.2458603816449756	Same Family
[P05129, P17252]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P17252	5.187086643357144	5.200659450546418	0.013572807189273561	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05129	P17252	5.6777807052660805	5.958607314841775	0.28082660957569416	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	P17252	5.657577319177793	5.455931955649724	0.20164536352806905	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P05129	P17252	5.6020599913279625	5.455931955649724	0.14612803567823818	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	P17252	5.698970004336019	6.142667503568732	0.4436974992327132	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P05129	P17252	5.920818753952375	7.0655015487564325	1.1446827948040577	Same Family
[P05129, P17252]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P05129	P17252	5.872895201635193	6.171984935776023	0.2990897341408303	Same Family
[P05129, P17252]	c1ccc2cc(ccc2c1)n3cc(c4c3cccc4)C5=C(C(=O)NC5=O)c6c7ccccc7n(n6)CCCN8CCCC8	P05129	P17252	6.292429823902063	6.318758762624412	0.026328938722349093	Same Family
[P05129, P17252]	c1ccc2cc(ccc2c1)n3cc(c4c3cccc4)C5=C(C(=O)NC5=O)c6c7ccccc7n(n6)CCCN8CCOCC8	P05129	P17252	6.468521082957745	6.585026652029182	0.11650556907143717	Same Family
[P05129, P05771]	CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)N)O)O)C)O	P05129	P05771	5.236572006437063	6.455931955649724	1.2193599492126612	Same Family
[P05129, P05771]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P05771	5.301029995663981	6.8979400086720375	1.5969100130080562	Same Family
[P05129, P05771]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P05771	5.886056647693163	7.6531365255381765	1.7670798778450134	Same Family
[P05129, P05771]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05129	P05771	5.107905397309519	5.823908740944319	0.7160033436347994	Same Family
[P05129, P05771]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05129	P05771	4.886056647693163	7.060480747381382	2.1744240996882187	Same Family
[P05129, P05771]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P05771	6.522878745280337	8.0	1.4771212547196626	Same Family
[P05129, P05771]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P05771	6.522878745280337	8.25963296001283	1.7367542147324926	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C=C	P05129	P05771	6.494850021680094	7.638272163982407	1.1434221423023132	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cc7ccccc7nc6	P05129	P05771	7.327902142064283	8.27642098432889	0.9485188422646074	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccc7ccccc7c6	P05129	P05771	6.958607314841775	7.891258027893047	0.932650713051272	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccc7c6cccc7	P05129	P05771	5.468521082957745	7.299041374741213	1.8305202917834684	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccccc6	P05129	P05771	6.431798275933005	7.611649408005794	1.1798511320727894	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccnc6	P05129	P05771	6.6777807052660805	7.938074179516457	1.2602934742503766	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccs6	P05129	P05771	6.552841968657781	7.911954370472159	1.3591124018143788	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cncc7c6cccc7	P05129	P05771	6.6020599913279625	7.4300604567993815	0.828000465471419	Same Family
[P05129, P05771]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6csc7c6cccc7	P05129	P05771	6.1487416512809245	7.248649912344719	1.0999082610637947	Same Family
[P05129, P05771]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	P05771	6.301029995663981	7.849485002168009	1.5484550065040281	Same Family
[P05129, P05771]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P05771	5.494850021680094	7.5713337517843655	2.076483730104272	Same Family
[P05129, P05771]	CN1CCN(CC1)CCCn2c3ccccc3c(n2)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)c7ccc8ccccc8c7	P05129	P05771	5.886056647693163	7.121910241578096	1.2358535938849329	Same Family
[P05129, P05771]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P05771	6.568636235841013	8.301029995663981	1.7323937598229682	Same Family
[P05129, P05771]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)O	P05129	P05771	5.769551078621726	7.022878745280337	1.2533276666586115	Same Family
[P05129, P05771]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)O	P05129	P05771	6.42021640338319	6.780333653084869	0.3601172497016787	Same Family
[P05129, P05771]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P05129	P05771	4.638272163982407	6.2839966563652006	1.6457244923827936	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05129	P05771	5.455931955649724	7.6386830387330935	2.182751083083369	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	P05771	6.301029995663981	7.849485002168009	1.5484550065040281	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	P05771	6.3979400086720375	7.761439372640169	1.3634993639681312	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05129	P05771	5.154901959985743	7.411954370472159	2.2570524104864162	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	P05771	5.698970004336019	7.522878745280337	1.8239087409443187	Same Family
[P05129, P05771]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	P05771	5.698970004336019	7.522878745280337	1.8239087409443187	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	P05771	8.15051499783199	8.34948500216801	0.19897000433601875	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	P05771	8.301029995663981	8.548455006504028	0.24742501084004687	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	P05771	7.610924374808178	7.849485002168009	0.2385606273598313	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)C(=O)O	P05129	P05771	7.1419983281826	8.206596252762797	1.0645979245801964	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	8.0	7.349485002168009	0.6505149978319906	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Oc4ccc(cc4)O)O)C(=O)O	P05129	P05771	6.6020599913279625	7.698970004336019	1.0969100130080562	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	7.221848749616356	6.512054431799104	0.7097943178172521	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	6.0	5.541773025725037	0.45822697427496273	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	5.366531544420414	5.363847077798956	0.002684466621457382	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	6.0	5.520002580835792	0.47999741916420824	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	5.657577319177793	5.492739730621038	0.16483758855675568	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)C(=O)O	P05129	P05771	7.3979400086720375	7.761439372640169	0.3634993639681312	Same Family
[P05129, P05771]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P05771	7.903437700822769	7.750345712914612	0.15309198790815692	Same Family
[P05129, P05771]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P05771	5.187086643357144	6.49506218314392	1.307975539786776	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05129	P05771	5.6777807052660805	7.400122411373262	1.7223417061071817	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	P05771	5.657577319177793	7.1386830387330935	1.4811057195553001	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P05129	P05771	5.6020599913279625	7.365010161677338	1.7629501703493755	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	P05771	5.698970004336019	7.394789710072473	1.6958197057364544	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P05129	P05771	5.920818753952375	8.221848749616356	2.3010299956639813	Same Family
[P05129, P05771]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P05129	P05771	5.872895201635193	7.337242168318426	1.464346966683233	Same Family
[P05129, P05771]	c1ccc2cc(ccc2c1)n3cc(c4c3cccc4)C5=C(C(=O)NC5=O)c6c7ccccc7n(n6)CCCN8CCCC8	P05129	P05771	6.292429823902063	7.1386830387330935	0.8462532148310302	Same Family
[P05129, Q05513]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q05513	5.886056647693163	5.031517051446065	0.8545395962470979	Same Family
[P05129, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05129	Q05513	5.107905397309519	4.481486060122113	0.6264193371874063	Same Family
[P05129, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05129	Q05513	4.886056647693163	5.070581074285707	0.1845244265925441	Same Family
[P05129, Q05513]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q05513	6.522878745280337	5.154901959985743	1.3679767852945943	Same Family
[P05129, Q05513]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	Q05513	6.301029995663981	5.301029995663981	1.0	Same Family
[P05129, Q05513]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	Q05513	6.568636235841013	4.657577319177793	1.9110589166632197	Same Family
[P05129, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	Q05513	6.301029995663981	5.3979400086720375	0.9030899869919438	Same Family
[P05129, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	Q05513	6.3979400086720375	5.045757490560675	1.3521825181113627	Same Family
[P05129, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	Q05513	5.698970004336019	5.096910013008056	0.6020599913279625	Same Family
[P05129, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	Q05513	5.698970004336019	5.3979400086720375	0.30102999566398125	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	Q05513	8.15051499783199	5.530740137411754	2.619774860420237	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P05129	Q05513	7.823908740944319	4.4387282379656225	3.385180502978696	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	Q05513	8.301029995663981	5.920818753952375	2.3802112417116064	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	Q05513	7.610924374808178	4.849485002168009	2.7614393726401687	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05513	8.0	4.657577319177793	3.3424226808222066	Same Family
[P05129, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q05513	6.0	3.9172146296835497	2.0827853703164503	Same Family
[P05129, Q05513]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	Q05513	5.187086643357144	4.267606240177032	0.9194804031801125	Same Family
[P05129, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05129	Q05513	5.6777807052660805	4.356547323513813	1.3212333817522675	Same Family
[P05129, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	Q05513	5.657577319177793	4.259637310505756	1.3979400086720375	Same Family
[P05129, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	Q05513	5.698970004336019	5.060480747381382	0.638489256954637	Same Family
[P05129, Q02156]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P05129	Q02156	6.585026652029182	5.050609993355088	1.5344166586740942	Same Family
[P05129, Q02156]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q02156	5.301029995663981	5.221848749616356	0.07918124604762511	Same Family
[P05129, Q02156]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q02156	5.886056647693163	6.4089353929735005	0.5228787452803374	Same Family
[P05129, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05129	Q02156	5.107905397309519	6.853871964321762	1.7459665670122426	Same Family
[P05129, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05129	Q02156	4.886056647693163	6.337242168318426	1.4511855206252626	Same Family
[P05129, Q02156]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	Q02156	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P05129, Q02156]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	Q02156	6.522878745280337	6.221848749616356	0.30102999566398125	Same Family
[P05129, Q02156]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P05129	Q02156	7.522878745280337	8.221848749616356	0.6989700043360187	Same Family
[P05129, Q02156]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	Q02156	6.301029995663981	7.301029995663981	1.0	Same Family
[P05129, Q02156]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	Q02156	6.568636235841013	5.958607314841775	0.6100289209992384	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05129	Q02156	5.455931955649724	5.026872146400302	0.42905980924942266	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	Q02156	6.301029995663981	6.3979400086720375	0.09691001300805624	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	Q02156	6.3979400086720375	6.045757490560675	0.3521825181113627	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05129	Q02156	5.154901959985743	5.3979400086720375	0.24303804868629442	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	Q02156	5.698970004336019	6.522878745280337	0.8239087409443187	Same Family
[P05129, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	Q02156	5.698970004336019	6.0	0.30102999566398125	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	Q02156	8.15051499783199	7.522878745280337	0.6276362525516532	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P05129	Q02156	7.823908740944319	6.690453334686628	1.1334554062576903	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	Q02156	8.301029995663981	8.0	0.30102999566398125	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	Q02156	7.610924374808178	6.911954370472159	0.6989700043360187	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	8.0	7.301029995663981	0.6989700043360187	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	7.221848749616356	6.552841968657781	0.6690067809585756	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	6.0	4.795880017344075	1.204119982655925	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	5.366531544420414	4.346787486224656	1.0197440581957578	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	6.0	5.229147988357856	0.7708520116421438	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	5.657577319177793	5.7447274948966935	0.08715017571890016	Same Family
[P05129, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	Q02156	7.903437700822769	8.0	0.09656229917723103	Same Family
[P05129, Q02156]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	Q02156	5.187086643357144	4.2441251443275085	0.9429614990296358	Same Family
[P05129, Q02156]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P05129	Q02156	7.508638306165727	5.080921907623926	2.4277163985418007	Same Family
[P05129, Q02156]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P05129	Q02156	6.568636235841013	5.214670164989233	1.3539660708517802	Same Family
[P05129, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	Q02156	5.657577319177793	5.42021640338319	0.2373609157946035	Same Family
[P05129, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	Q02156	5.698970004336019	4.102372908709558	1.5965970956264606	Same Family
[P05129, P24723]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P24723	5.301029995663981	5.096910013008056	0.20411998265592501	Same Family
[P05129, P24723]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P24723	5.886056647693163	6.886056647693163	1.0	Same Family
[P05129, P24723]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05129	P24723	6.522878745280337	7.3979400086720375	0.8750612633917001	Same Family
[P05129, P24723]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P24723	6.522878745280337	7.2839966563652006	0.7611179110848632	Same Family
[P05129, P24723]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05129	P24723	6.301029995663981	7.3979400086720375	1.0969100130080562	Same Family
[P05129, P24723]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P24723	5.494850021680094	5.698970004336019	0.20411998265592501	Same Family
[P05129, P24723]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05129	P24723	6.568636235841013	7.508638306165727	0.9400020703247138	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05129	P24723	5.455931955649724	7.376750709602099	1.920818753952375	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05129	P24723	6.301029995663981	7.301029995663981	1.0	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05129	P24723	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05129	P24723	5.154901959985743	6.301029995663981	1.1461280356782382	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05129	P24723	5.698970004336019	6.3979400086720375	0.6989700043360187	Same Family
[P05129, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05129	P24723	5.698970004336019	6.698970004336019	1.0	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05129	P24723	8.15051499783199	8.522878745280337	0.37236374744834677	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05129	P24723	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05129	P24723	7.610924374808178	8.460409376976187	0.8494850021680094	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	8.0	9.221848749616356	1.2218487496163561	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	7.221848749616356	7.221848749616356	0.0	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	6.0	8.0	2.0	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	5.366531544420414	6.080921907623926	0.7143903632035125	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	6.0	7.0	1.0	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	5.657577319177793	7.096910013008056	1.4393326938302629	Same Family
[P05129, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05129	P24723	7.903437700822769	8.397940008672037	0.4945023078492685	Same Family
[P05129, P24723]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05129	P24723	5.187086643357144	5.6020599913279625	0.4149733479708182	Same Family
[P05129, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05129	P24723	5.6777807052660805	6.619788758288394	0.9420080530223132	Same Family
[P05129, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05129	P24723	5.657577319177793	6.455931955649724	0.798354636471931	Same Family
[P05129, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P05129	P24723	5.6020599913279625	5.769551078621726	0.16749108729376339	Same Family
[P05129, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05129	P24723	5.698970004336019	6.522878745280337	0.8239087409443187	Same Family
[O60674, P17252]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	O60674	P17252	5.920818753952375	5.173925197299174	0.7468935566532009	Different Group
[O60674, P17252]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	O60674	P17252	5.221848749616356	5.886056647693163	0.6642078980768069	Different Group
[O60674, P17252]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	O60674	P17252	7.301029995663981	5.585026652029182	1.7160033436347994	Different Group
[O60674, P17252]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	O60674	P17252	8.0	5.886056647693163	2.113943352306837	Different Group
[O60674, P17252]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	O60674	P17252	4.943095148663527	5.769551078621726	0.8264559299581986	Different Group
[O60674, P17252]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	O60674	P17252	5.2441251443275085	5.769551078621726	0.5254259342942174	Different Group
[O60674, P17252]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	O60674	P17252	7.522878745280337	5.552841968657781	1.9700367766225568	Different Group
[O60674, P17252]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	O60674	P17252	7.045757490560675	4.7447274948966935	2.3010299956639813	Different Group
[O60674, P17252]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	P17252	5.958607314841775	7.275724130399211	1.3171168155574362	Different Group
[O60674, P17252]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	O60674	P17252	5.756961951313706	7.045757490560675	1.2887955392469692	Different Group
[O60674, P17252]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	O60674	P17252	8.132200550150909	6.886056647693163	1.2461439024577459	Different Group
[O60674, P17252]	c1ccc(c(c1)CN2c3ccc(cc3Cc4cc(oc4C2=O)c5ccc(cc5)Cl)N6CCNCC6)c7cccnc7	O60674	P17252	4.958607314841775	5.0	0.04139268515822536	Different Group
[O60674, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	O60674	P17252	5.414539270491499	6.480172006224281	1.0656327357327822	Different Group
[O60674, P24941]	CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	O60674	P24941	6.812479279163537	8.0	1.1875207208364627	Different Group
[O60674, P24941]	CC(C)n1ccc2c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)OC	O60674	P24941	6.1438755557577	7.096910013008056	0.9530344572503564	Different Group
[O60674, P24941]	CN1CC=CCCOc2cccc(c2)-c3ccnc(n3)Nc4cccc(c4)C1	O60674	P24941	6.769551078621726	6.886056647693163	0.11650556907143717	Different Group
[O60674, P24941]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O60674	P24941	7.301029995663981	6.214670164989233	1.0863598306747484	Different Group
[O60674, P24941]	COC1CCN(CC1)c2nccc(n2)Nc3cc(ccn3)NC(=O)c4c(cccc4Cl)Cl	O60674	P24941	7.356547323513813	6.298432014944073	1.0581153085697403	Different Group
[O60674, P24941]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	O60674	P24941	7.017728766960432	8.301029995663981	1.2833012287035492	Different Group
[O60674, P24941]	COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	O60674	P24941	6.647817481888637	7.031517051446065	0.3836995695574279	Different Group
[O60674, P24941]	COc1cc(cc(c1OC)OC)Nc2nccc(n2)c3ccc(cc3)Cl	O60674	P24941	4.66729902277862	4.726258163788953	0.05895914101033295	Different Group
[O60674, P24941]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	O60674	P24941	6.673664139071248	5.568636235841013	1.1050279032302353	Different Group
[O60674, P24941]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	O60674	P24941	5.940108206919151	5.401209493236885	0.5388987136822658	Different Group
[O60674, P24941]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	P24941	5.958607314841775	6.3872161432802645	0.4286088284384899	Different Group
[O60674, P29597]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCO)Cl	O60674	P29597	7.494850021680094	6.853871964321762	0.6409780573583319	Different Family
[O60674, P29597]	C=CC(=O)Nc1cccc(c1)CNc2c(cnc(n2)Nc3cnn(c3)CCOCCOCCOCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)Cl	O60674	P29597	6.375717904164332	5.505845405981558	0.8698724981827741	Different Family
[O60674, P29597]	CC(C)(C#N)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	O60674	P29597	8.397940008672037	6.835647144215563	1.5622928644564746	Different Family
[O60674, P29597]	CC(C)(C)NC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	O60674	P29597	5.931814138253839	5.156144577376839	0.7756695608769997	Different Family
[O60674, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCCN4CCOCC4	O60674	P29597	8.301029995663981	5.809668301829708	2.491361693834273	Different Family
[O60674, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCN4CCCCC4	O60674	P29597	8.301029995663981	5.573488738635425	2.727541257028556	Different Family
[O60674, P29597]	CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NCCO	O60674	P29597	8.096910013008056	6.030584087646019	2.0663259253620376	Different Family
[O60674, P29597]	CC(C)(C)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	O60674	P29597	8.0	6.694648630553377	1.3053513694466234	Different Family
[O60674, P29597]	CC(C)(c1cccc(c1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)O	O60674	P29597	5.249491605148654	5.175874166083451	0.07361743906520246	Different Family
[O60674, P29597]	CC(C)CS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.266000713461613	6.319664486585437	0.053663773123823866	Different Family
[O60674, P29597]	CC(C)c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.229147988357856	5.568636235841013	0.33948824748315687	Different Family
[O60674, P29597]	CC(Cn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N)O	O60674	P29597	4.91721462968355	4.590066876668706	0.32714775301484433	Different Family
[O60674, P29597]	CC1(C(CCC1(C)N)Nc2c3cccn3ncc2C(=O)N)C	O60674	P29597	6.880225139579764	7.148612461049478	0.26838732146971367	Different Family
[O60674, P29597]	CC1(C(CCC1Nc2c3cccn3ncc2C(=O)N)N)C	O60674	P29597	6.8278038631574445	6.958607314841775	0.13080345168433016	Different Family
[O60674, P29597]	CC1(C(CCC1O)Nc2c3cccn3ncc2C(=O)N)C	O60674	P29597	7.131403678647631	7.379975113943676	0.24857143529604464	Different Family
[O60674, P29597]	CC1(CC(C1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3)CC#N	O60674	P29597	5.909793683580839	5.446639443338771	0.4631542402420674	Different Family
[O60674, P29597]	CC1(CC(CC1Nc2c3cccn3ncc2C(=O)N)(C)O)C	O60674	P29597	6.835301060319479	6.799299729609228	0.03600133071025091	Different Family
[O60674, P29597]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)C#N	O60674	P29597	7.214728530059051	7.872363747448347	0.6576352173892959	Different Family
[O60674, P29597]	CC1(CCCC1Nc2c3cccn3ncc2C(=O)N)O	O60674	P29597	6.610924374808178	6.772577569995745	0.16165319518756682	Different Family
[O60674, P29597]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O60674	P29597	9.060955120789046	9.221848749616356	0.16089362882730995	Different Family
[O60674, P29597]	CCCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.657577319177793	6.257274868695302	0.40030245048249125	Different Family
[O60674, P29597]	CCCS(=O)(=O)CC1CC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.024108863598207	5.442492798094342	0.5816160655038649	Different Family
[O60674, P29597]	CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.095284454721319	5.903089986991944	0.19219446772937498	Different Family
[O60674, P29597]	CCCS(=O)(=O)NC1CCC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.241088107602026	5.690369832574102	0.5507182750279247	Different Family
[O60674, P29597]	CCNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	O60674	P29597	7.318758762624412	5.97061622231479	1.348142540309622	Different Family
[O60674, P29597]	CCn1c(cc(n1)Nc2c3c(c4cc(n(c4n2)CC)C(=O)N(C5CC5)C6CC6)n(cn3)C)C	O60674	P29597	8.823908740944319	6.657577319177793	2.1663314217665253	Different Family
[O60674, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc([nH]n4)C)C(=O)N(C5CC5)C6CC6	O60674	P29597	8.920818753952375	8.721246399047171	0.19957235490520375	Different Family
[O60674, P29597]	CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(nn4C)C)C(=O)N(C5CC5)C6CC6	O60674	P29597	6.638272163982407	5.638272163982407	1.0	Different Family
[O60674, P29597]	CN(C)C(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	O60674	P29597	5.931814138253839	5.288192770958809	0.6436213672950295	Different Family
[O60674, P29597]	CN(C)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	O60674	P29597	5.6020599913279625	7.154901959985743	1.5528419686577806	Different Family
[O60674, P29597]	CN(C)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	O60674	P29597	5.301029995663981	7.154901959985743	1.8538719643217618	Different Family
[O60674, P29597]	CN(CCC#N)S(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	O60674	P29597	6.3851027839668655	5.924453038607469	0.4606497453593965	Different Family
[O60674, P29597]	CN(CCOc1cccc(c1)NC2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4)c5ccnc(c5)F	O60674	P29597	6.309803919971486	6.002176919254275	0.3076270007172113	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)C4CCC(C4)C#N	O60674	P29597	6.303204502245464	5.779923435113219	0.5232810671322445	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CC4CC(C4)(F)F	O60674	P29597	6.79317412396815	6.235077015350112	0.5580971086180382	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)CCC4CC4	O60674	P29597	6.370590400897281	5.835647144215563	0.5349432566817178	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(C4)C#N	O60674	P29597	6.588302014569105	6.155612172363577	0.4326898422055274	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(C(F)(F)F)O	O60674	P29597	7.055517327849832	6.446116973356125	0.6094003544937063	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)N4CCC(CC4)(F)F	O60674	P29597	6.428291168191312	6.146910470148135	0.28138069804317745	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4cc(ccn4)C#N	O60674	P29597	6.244887733604929	6.3788237182249645	0.13393598462003542	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)CS(=O)(=O)c4ccc(c(c4)Cl)F	O60674	P29597	7.070581074285707	6.616184634019569	0.45439644026613824	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)(F)F	O60674	P29597	6.752026733638194	6.490797477668897	0.2612292559692966	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CC(C4)CC#N	O60674	P29597	6.035341636623253	5.791251697890901	0.24408993873235119	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C4CN(C4)C5CC5	O60674	P29597	6.224025668870631	5.308918507877031	0.9151071609935997	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC(F)(F)F	O60674	P29597	6.419075024324381	5.991399828238082	0.427675196086299	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4(COC4)CC#N	O60674	P29597	6.504455662453552	6.056505484093897	0.44795017835965467	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4CC(C4)(F)F	O60674	P29597	6.384049948343599	6.113509274827518	0.2705406735160816	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4CC4	O60674	P29597	5.532347154855037	5.728158393463501	0.1958112386084645	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)CC4COC4	O60674	P29597	6.0301183562535	5.623423042943488	0.40669531331001263	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC(C4)C#N	O60674	P29597	6.767003889607846	6.478861916295964	0.2881419733118822	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC(C4)O5	O60674	P29597	5.939302159646388	5.692503962086787	0.24679819755960075	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CC5CC5(C4)C#N	O60674	P29597	6.132265624239289	5.9767426630094835	0.15552296122980547	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)N4CCC(CC4)c5cc[nH]n5	O60674	P29597	7.2839966563652006	6.437707135543525	0.8462895208216752	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)NCC4CC4	O60674	P29597	5.958607314841775	5.749579997691106	0.20902731715066825	Different Family
[O60674, P29597]	CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)c4cc(ccn4)C#N	O60674	P29597	6.154901959985743	6.585026652029182	0.4301246920434387	Different Family
[O60674, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	O60674	P29597	5.991399828238082	4.844663962534939	1.1467358657031435	Different Family
[O60674, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O60674	P29597	7.301029995663981	6.123205023799299	1.1778249718646823	Different Family
[O60674, P29597]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	O60674	P29597	8.221848749616356	8.301029995663981	0.07918124604762511	Different Family
[O60674, P29597]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	O60674	P29597	5.920818753952375	5.173925197299174	0.7468935566532009	Different Family
[O60674, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	O60674	P29597	7.508638306165727	5.876148359032914	1.6324899471328127	Different Family
[O60674, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)OC(F)(F)F)N	O60674	P29597	7.920818753952375	6.681936665037238	1.2388820889151368	Different Family
[O60674, P29597]	CNC(=O)c1cnc(c2c1sc(c2)c3ccccc3)N	O60674	P29597	7.236572006437063	6.028260409112222	1.2083115973248413	Different Family
[O60674, P29597]	CNCCn1c2ccc(cc2nc1C3CCC(CC3)O)C(=O)N	O60674	P29597	5.4089353929735005	5.251811972993799	0.15712341997970114	Different Family
[O60674, P29597]	CNCCn1c2ccc(cc2nc1C3CCNCC3)C(=O)N	O60674	P29597	5.508638306165727	5.3872161432802645	0.12142216288546237	Different Family
[O60674, P29597]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	O60674	P29597	7.292429823902063	6.39040559077478	0.9020242331272836	Different Family
[O60674, P29597]	COc1ccc(c(c1)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4)F	O60674	P29597	4.882728704344236	4.943095148663527	0.06036644431929172	Different Family
[O60674, P29597]	COc1ccc(cc1)c2cccc3n2nc(n3)NC(=O)C4CC4	O60674	P29597	6.860120913598763	6.284832642151542	0.5752882714472207	Different Family
[O60674, P29597]	COc1ccc(cc1OC)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	O60674	P29597	5.6439741428068775	5.892790030352131	0.24881588754525374	Different Family
[O60674, P29597]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	O60674	P29597	8.174360993000928	7.494850021680094	0.679510971320834	Different Family
[O60674, P29597]	COc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)NC(=O)C5CCOCC5	O60674	P29597	7.495699914119042	7.060480747381382	0.43521916673766015	Different Family
[O60674, P29597]	CS(=O)(=O)c1ccc(cc1)Nc2c(cn(n2)C3CCOCC3)C(=O)N	O60674	P29597	6.823908740944319	7.221848749616356	0.3979400086720375	Different Family
[O60674, P29597]	Cc1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	O60674	P29597	7.568636235841013	6.051587034221399	1.5170492016196144	Different Family
[O60674, P29597]	Cc1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.585026652029182	5.455931955649724	0.12909469637945747	Different Family
[O60674, P29597]	Cc1ccccc1n2cc(c3c(c2=O)c(n[nH]3)N)c4ccn(n4)C	O60674	P29597	5.769551078621726	7.522878745280337	1.7533276666586115	Different Family
[O60674, P29597]	Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	O60674	P29597	8.522878745280337	6.823908740944319	1.6989700043360187	Different Family
[O60674, P29597]	Cc1ncc(s1)S(=O)(=O)NC2CC(C2)N(C)c3c4cc[nH]c4ncn3	O60674	P29597	6.29073003902417	6.262807357295263	0.02792268172890644	Different Family
[O60674, P29597]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	O60674	P29597	7.301029995663981	6.522878745280337	0.7781512503836439	Different Family
[O60674, P29597]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OCCNc5ccnc(c5)F	O60674	P29597	5.785951320588058	5.292089334286894	0.4938619863011642	Different Family
[O60674, P29597]	Cn1cc2c(n1)CN(C2)S(=O)(=O)NC3CC(C3)N(C)c4c5cc[nH]c5ncn4	O60674	P29597	5.966576244513051	5.131943638176958	0.8346326063360925	Different Family
[O60674, P29597]	Cn1ccc(n1)c2cn(c(=O)c3c2[nH]nc3N)c4ccccc4Cl	O60674	P29597	6.040958607678906	8.00436480540245	1.9634061977235433	Different Family
[O60674, P29597]	c1c[nH]c2c1c(c(cn2)C(=O)N)NC3C4CC5CC3CC(C5)(C4)O	O60674	P29597	8.301029995663981	8.318758762624412	0.01772876696043113	Different Family
[O60674, P29597]	c1c[nH]c2c1c(ncn2)c3cn(nn3)CC4CO4	O60674	P29597	5.610656688747922	5.249954687988232	0.36070200075968994	Different Family
[O60674, P29597]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	O60674	P29597	8.0	7.301029995663981	0.6989700043360187	Different Family
[O60674, P29597]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	O60674	P29597	7.522878745280337	7.221848749616356	0.30102999566398125	Different Family
[O60674, P29597]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	O60674	P29597	7.045757490560675	5.920818753952375	1.1249387366083	Different Family
[O60674, P29597]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)C(=O)O)N)F	O60674	P29597	5.675717544702307	7.376750709602099	1.7010331648997923	Different Family
[O60674, P29597]	c1cc(c(cc1c2cc3c4c([nH]c3c(c2)C(=O)N)CCC(C4)C(=O)N5CCOCC5)Cl)Cl	O60674	P29597	7.0655015487564325	6.216096420727265	0.8494051280291677	Different Family
[O60674, P29597]	c1cc(c(nc1)N)c2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.327902142064283	5.366531544420414	0.03862940235613088	Different Family
[O60674, P29597]	c1cc(c(nc1)c2ccc3c(c2)c(n[nH]3)Nc4ncc(s4)CC(=O)O)Cl	O60674	P29597	5.1487416512809245	6.187086643357144	1.0383449920762198	Different Family
[O60674, P29597]	c1cc(c2cc1CNc3c(cnc(n3)Nc4cc(cnc4)CC2)Cl)N	O60674	P29597	6.349692476868063	6.413412695328245	0.0637202184601815	Different Family
[O60674, P29597]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	P29597	5.958607314841775	5.823908740944319	0.134698573897456	Different Family
[O60674, P29597]	c1cc(cc(c1)S(=O)(=O)N)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	O60674	P29597	5.6020599913279625	7.154901959985743	1.5528419686577806	Different Family
[O60674, P29597]	c1cc(ccc1C#N)c2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.585026652029182	5.6020599913279625	0.017033339298780703	Different Family
[O60674, P29597]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)C(F)(F)F	O60674	P29597	5.318758762624412	5.494850021680094	0.17609125905568135	Different Family
[O60674, P29597]	c1cc(ccc1c2nc3cc(ccc3n2CCN)C(=O)N)O	O60674	P29597	5.886056647693163	5.494850021680094	0.3912066260130693	Different Family
[O60674, P29597]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCC(CC5)(F)F	O60674	P29597	7.809388202186395	6.90031935889075	0.9090688432956453	Different Family
[O60674, P29597]	c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	O60674	P29597	6.987595234745877	5.6786087216883105	1.3089865130575662	Different Family
[O60674, P29597]	c1cc2c(c(cnn2c1)C(=O)N)NC3CCCC3	O60674	P29597	6.6020599913279625	6.823908740944319	0.22184874961635614	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCC(CC3)O	O60674	P29597	4.732828271596986	4.512861624522814	0.21996664707417235	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)C3CCNCC3	O60674	P29597	4.5638373529592435	4.508638306165727	0.055199046793516615	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCN)CCN	O60674	P29597	5.657577319177793	5.1938200260161125	0.4637572931616809	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCCO)C3CCC(CC3)O	O60674	P29597	4.527243550682788	4.374687549038326	0.15255600164446204	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)C3CCCCC3	O60674	P29597	5.3872161432802645	5.481486060122113	0.09426991684184838	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCCN	O60674	P29597	5.795880017344075	5.6020599913279625	0.19382002601611248	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)CCN	O60674	P29597	5.5376020021010435	5.508638306165727	0.028963695935316558	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccc(cc3O)O	O60674	P29597	5.6020599913279625	5.431798275933005	0.1702617153949575	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3ccncc3	O60674	P29597	4.869666231504994	5.236572006437063	0.3669057749320688	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCN)c3cncnc3	O60674	P29597	5.795880017344075	5.552841968657781	0.24303804868629442	Different Family
[O60674, P29597]	c1cc2c(cc1C(=O)N)nc(n2CCO)C3CCC(CC3)O	O60674	P29597	5.494850021680094	5.366531544420414	0.12831847725967993	Different Family
[O60674, P29597]	c1cc2cc(c1)NS(=O)(=O)c3cccc(c3)Nc4ncc(c(n4)NC2)Cl	O60674	P29597	6.229884705212898	6.080921907623926	0.1489627975889718	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCCc4cccc(c4)OCC2)Cl	O60674	P29597	7.6020599913279625	6.97469413473523	0.6273658565927329	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	O60674	P29597	7.638272163982407	7.275724130399211	0.3625480335831961	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCCC2)Cl	O60674	P29597	6.920818753952375	6.3979400086720375	0.5228787452803374	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	O60674	P29597	8.301029995663981	6.826813731587726	1.4742162640762553	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	O60674	P29597	7.040958607678906	6.522878745280337	0.5180798623985687	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	O60674	P29597	8.0	7.455931955649724	0.5440680443502757	Different Family
[O60674, P29597]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	O60674	P29597	8.721246399047171	7.6020599913279625	1.1191864077192086	Different Family
[O60674, P29597]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	O60674	P29597	8.080921907623926	7.366531544420414	0.7143903632035125	Different Family
[O60674, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	O60674	P29597	7.309803919971486	6.3979400086720375	0.9118639112994487	Different Family
[O60674, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCC2)Cl	O60674	P29597	6.47755576649368	6.3585258894959	0.11902987699777956	Different Family
[O60674, P29597]	c1cc2cc(c1)OCc3cccc(c3)Nc4ncc(c(n4)NCCC2)Cl	O60674	P29597	6.931814138253839	6.6252516539898965	0.3065624842639423	Different Family
[O60674, P29597]	c1ccc(c(c1)c2ccc3c(c2)c(n[nH]3)N)Cl	O60674	P29597	6.180456064458132	6.552841968657781	0.3723859041996489	Different Family
[O60674, P29597]	c1ccc(c(c1)n2cc(c3c(c2=O)c(n[nH]3)N)c4ccccn4)Cl	O60674	P29597	6.259637310505756	8.173925197299173	1.9142878867934172	Different Family
[O60674, P29597]	c1ccc(c(c1)n2ccc3c(c2=O)c(n[nH]3)N)Cl	O60674	P29597	5.853871964321762	6.431798275933005	0.5779263116112432	Different Family
[O60674, P29597]	c1ccc(cc1)CNC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	O60674	P29597	7.0	5.585026652029182	1.4149733479708182	Different Family
[O60674, P29597]	c1ccc(cc1)Cc2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.568636235841013	5.1249387366083	0.4436974992327132	Different Family
[O60674, P29597]	c1ccc(cc1)NC(=O)c2cnc(c3c2sc(c3)c4ccc(cc4)N5CCOCC5)N	O60674	P29597	7.142667503568732	5.701146923590294	1.4415205799784383	Different Family
[O60674, P29597]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	O60674	P29597	5.414539270491499	5.636388020107856	0.22184874961635703	Different Family
[O60674, P29597]	c1ccc(cc1)c2ccc3cc2CNc4c(cnc(n4)Nc5cccc(c5)CCCO3)Cl	O60674	P29597	7.3872161432802645	6.3979400086720375	0.989276134608227	Different Family
[O60674, P29597]	c1ccc(cc1)c2nc3cc(ccc3n2CCCN)C(=O)N	O60674	P29597	4.688246138944246	5.568636235841013	0.8803900968967673	Different Family
[O60674, P29597]	c1ccc(cc1)c2nc3cc(ccc3n2CCN)C(=O)N	O60674	P29597	5.552841968657781	5.376750709602099	0.17609125905568135	Different Family
[O60674, P29597]	c1ccc2c(c1)[nH]c(n2)c3c(cc[nH]c3=O)NC4CCOCC4	O60674	P29597	8.301029995663981	8.045757490560675	0.25527250510330646	Different Family
[O60674, P29597]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4ccc(cc4)OCCNc5ccnc(c5)F	O60674	P29597	5.013810700263176	5.006828394969235	0.00698230529394106	Different Family
[O60674, P29597]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)Nc4cccc(c4)OC5CCN(C5)c6ccnc(c6)F	O60674	P29597	5.868508819960471	5.079011881328019	0.7894969386324524	Different Family
[O60674, P07948]	CC(CNc1cc2c(c(=O)[nH]cn2)c(n1)Nc3cccc4c3[nH]cc4)N	O60674	P07948	6.008773924307505	7.075720713938118	1.066946789630613	Different Family
[O60674, P07948]	CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	O60674	P07948	8.221848749616356	6.135488918941608	2.0863598306747484	Different Family
[O60674, P07948]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O60674	P07948	9.060955120789046	8.781918676479622	0.2790364443094244	Different Family
[O60674, P07948]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	O60674	P07948	6.259637310505756	6.7447274948966935	0.48509018439093765	Different Family
[O60674, P07948]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	O60674	P07948	5.991399828238082	6.084072788302884	0.09267296006480219	Different Family
[O60674, P07948]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O60674	P07948	7.301029995663981	7.167491087293763	0.13353890837021787	Different Family
[O60674, P07948]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	O60674	P07948	9.259637310505756	7.614036429399302	1.6456008811064535	Different Family
[O60674, P07948]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	O60674	P07948	6.673664139071248	6.690369832574102	0.016705693502853336	Different Family
[O60674, P07948]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	O60674	P07948	6.721246399047171	7.356547323513813	0.6353009244666419	Different Family
[O60674, P07948]	Cc1c[nH]c2c1cccc2Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	O60674	P07948	6.735182176990463	7.161150909262744	0.42596873227228116	Different Family
[O60674, P07948]	Cc1c[nH]c2c1cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N	O60674	P07948	6.522878745280337	6.259637310505756	0.2632414347745815	Different Family
[O60674, P07948]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	O60674	P07948	5.940108206919151	5.856430705489719	0.08367750142943198	Different Family
[O60674, P07948]	Cn1cc2c(n1)cccc2Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	O60674	P07948	5.823908740944319	6.721246399047171	0.8973376581028525	Different Family
[O60674, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	O60674	P07948	5.251811972993799	5.309803919971486	0.05799194697768684	Different Family
[O60674, P07948]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	O60674	P07948	5.568636235841013	5.468521082957745	0.10011515288326844	Different Family
[O60674, P07948]	c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)NC4CCCCC4N)C(=O)N	O60674	P07948	5.756961951313706	6.662284983266891	0.9053230319531851	Different Family
[O60674, P07948]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O)Cl	O60674	P07948	5.7423214251308154	5.998699066979582	0.25637764184876666	Different Family
[O60674, P07948]	c1cc2c(c[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCCCC5N)Cl	O60674	P07948	5.911863911299449	5.7447274948966935	0.16713641640275512	Different Family
[O60674, P07948]	c1cc2c(cc[nH]2)c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	O60674	P07948	7.080921907623926	7.494850021680094	0.4139281140561675	Different Family
[O60674, P07948]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	O60674	P07948	6.978810700930062	6.950781977329818	0.028028723600243666	Different Family
[O60674, P07948]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCNC5)nc[nH]c4=O	O60674	P07948	6.022276394711152	6.501689446210399	0.47941305149924673	Different Family
[O60674, P07948]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCOCC5N)nc[nH]c4=O	O60674	P07948	6.537602002101044	6.638272163982407	0.10067016188136257	Different Family
[O60674, P07948]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc[nH]c4=O)cc(n3)NC5CCOCC5N	O60674	P07948	6.167491087293763	5.922632094715843	0.2448589925779201	Different Family
[O60674, P07948]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	O60674	P07948	5.327902142064283	5.1249387366083	0.20296340545598301	Different Family
[O60674, P07948]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	O60674	P07948	5.173925197299174	5.1938200260161125	0.019894828716938484	Different Family
[O60674, Q9UM73]	CC(CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4ccc(n4n3)c5ccccc5N(C)S(=O)(=O)C)O	O60674	Q9UM73	6.421360790031928	7.956555410501664	1.5351946204697358	Different Group
[O60674, Q9UM73]	CC(CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccc(n4n3)c5ccccc5N(C)S(=O)(=O)C)O	O60674	Q9UM73	8.943095148663527	7.522878745280337	1.4202164033831899	Different Group
[O60674, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O60674	Q9UM73	9.060955120789046	7.948515197953478	1.1124399228355681	Different Group
[O60674, Q9UM73]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	O60674	Q9UM73	7.3979400086720375	7.590228032229065	0.1922880235570279	Different Group
[O60674, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	O60674	Q9UM73	8.221848749616356	6.844663962534939	1.3771847870814176	Different Group
[O60674, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	O60674	Q9UM73	5.920818753952375	5.638272163982407	0.28254658996996795	Different Group
[O60674, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccc(n4n3)c5ccccc5N(C)S(=O)(=O)C	O60674	Q9UM73	8.795880017344075	8.154901959985743	0.6409780573583319	Different Group
[O60674, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccc(n4n3)c5ccccc5OC	O60674	Q9UM73	9.74539873883445	7.698970004336019	2.0464287344984307	Different Group
[O60674, Q9UM73]	COc1cc(cc(c1OC)OC)Nc2ncc3ccc(n3n2)c4ccccc4	O60674	Q9UM73	9.698970004336019	6.673664139071248	3.0253058652647704	Different Group
[O60674, Q9UM73]	COc1ccccc1c2ccc3n2nc(nc3)Nc4ccc(cc4OC)C5CCN(CC5)CC(=O)N	O60674	Q9UM73	6.6020599913279625	8.221848749616356	1.6197887582883936	Different Group
[O60674, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	O60674	Q9UM73	5.251811972993799	5.465907069126919	0.2140950961331196	Different Group
[O60674, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	O60674	Q9UM73	5.568636235841013	5.789198036565084	0.22056180072407106	Different Group
[O60674, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	Q9UM73	5.958607314841775	6.119186407719209	0.160579092877434	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	O60674	Q9UM73	7.638272163982407	5.910094888560602	1.728177275421805	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	O60674	Q9UM73	8.301029995663981	6.552841968657781	1.7481880270062007	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	O60674	Q9UM73	7.040958607678906	5.086186147616283	1.9547724600626228	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	O60674	Q9UM73	8.0	5.815308569182402	2.1846914308175984	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	O60674	Q9UM73	8.721246399047171	6.151195298948196	2.5700511000989748	Different Group
[O60674, Q9UM73]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	O60674	Q9UM73	8.080921907623926	5.688246138944246	2.3926757686796805	Different Group
[O60674, Q9UM73]	c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)NC5CCCCC5N)nc[nH]c4=O	O60674	Q9UM73	6.978810700930062	7.154901959985743	0.17609125905568135	Different Group
[O60674, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	O60674	Q9UM73	5.327902142064283	5.41369853439507	0.08579639233078673	Different Group
[O60674, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	O60674	Q9UM73	5.173925197299174	5.200659450546418	0.026734253247243878	Different Group
[O14965, O60674]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O60674	O14965	9.060955120789046	8.160579629225387	0.9003754915636595	Different Group
[O14965, O60674]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	O60674	O14965	5.991399828238082	6.30715308072277	0.3157532524846882	Different Group
[O14965, O60674]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O60674	O14965	7.301029995663981	6.35261702988538	0.9484129657786013	Different Group
[O14965, O60674]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	O60674	O14965	7.3979400086720375	6.667561540084395	0.7303784685876424	Different Group
[O14965, O60674]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	O60674	O14965	7.292429823902063	7.366531544420414	0.07410172051835051	Different Group
[O14965, O60674]	COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4nc[nH]5	O60674	O14965	6.337242168318426	6.221848749616356	0.11539341870206954	Different Group
[O14965, O60674]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	O60674	O14965	5.221848749616356	6.1938200260161125	0.9719712763997563	Different Group
[O14965, O60674]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	O60674	O14965	7.301029995663981	6.468521082957745	0.8325089127062366	Different Group
[O14965, O60674]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	O60674	O14965	6.638272163982407	6.537602002101044	0.10067016188136257	Different Group
[O14965, O60674]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	O60674	O14965	8.0	6.886056647693163	1.113943352306837	Different Group
[O14965, O60674]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	O60674	O14965	4.943095148663527	5.366531544420414	0.4234363957568865	Different Group
[O14965, O60674]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	O60674	O14965	5.2441251443275085	6.130768280269024	0.8866431359415152	Different Group
[O14965, O60674]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	O60674	O14965	7.522878745280337	6.2441251443275085	1.2787536009528289	Different Group
[O14965, O60674]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	O60674	O14965	7.045757490560675	4.815308569182402	2.230448921378273	Different Group
[O14965, O60674]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	O14965	5.958607314841775	5.508638306165727	0.4499690086760477	Different Group
[O60674, Q06187]	CC(=O)Nc1cccc(c1)c2cc3c4ccc(cc4[nH]c3c(c2)C(=O)N)C(=O)N5CCN(CC5)C	O60674	Q06187	7.568636235841013	6.421360790031928	1.1472754458090852	Different Family
[O60674, Q06187]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O60674	Q06187	9.060955120789046	7.187086643357144	1.8738684774319019	Different Family
[O60674, Q06187]	CCn1c2c(c(n1)C#Cc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C)c(ncn2)N	O60674	Q06187	5.535957794561189	7.173925197299173	1.637967402737984	Different Family
[O60674, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	O60674	Q06187	5.991399828238082	8.522878745280337	2.5314789170422554	Different Family
[O60674, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O60674	Q06187	7.301029995663981	7.823908740944319	0.5228787452803374	Different Family
[O60674, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccc(c(c5)Cl)Cl	O60674	Q06187	8.214728530059052	6.090443970758825	2.124284559300227	Different Family
[O60674, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5ccc(cc5)OC	O60674	Q06187	8.259637310505756	6.360513510731414	1.8991237997743422	Different Family
[O60674, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c4cc(cc(c4[nH]c3c2)C(=O)N)c5cccc(c5)OC	O60674	Q06187	8.366531544420413	6.393618634889395	1.9729129095310176	Different Family
[O60674, Q06187]	CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	O60674	Q06187	5.978810700930062	6.100179497572904	0.12136879664284184	Different Family
[O60674, Q06187]	COc1ccc(cc1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	O60674	Q06187	8.698970004336019	6.485452247339714	2.213517756996305	Different Family
[O60674, Q06187]	COc1cccc(c1)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	O60674	Q06187	8.174360993000928	6.443697499232713	1.7306634937682146	Different Family
[O60674, Q06187]	Cc1c(cccc1NC(=O)C)c2ccc(c3c2c4ccc(cc4[nH]3)C(=O)N5CCN(CC5)C)C(=O)N	O60674	Q06187	6.673664139071248	7.795880017344075	1.1222158782728267	Different Family
[O60674, Q06187]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	O60674	Q06187	5.940108206919151	5.473660722610156	0.4664474843089943	Different Family
[O60674, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	O60674	Q06187	6.619788758288394	7.0	0.38021124171160636	Different Family
[O60674, Q06187]	c1cc(cc(c1)Cl)c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5	O60674	Q06187	8.884775539310862	6.723538195826756	2.161237343484106	Different Family
[O60674, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O60674	Q06187	5.958607314841775	6.236572006437063	0.27796469159528847	Different Family
[O60674, Q06187]	c1cc(ccc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl	O60674	Q06187	8.585026652029182	6.511449283499556	2.0735773685296257	Different Family
[O60674, Q06187]	c1ccc(cc1)Oc2ccc(cc2)c3csc4c3c(ncc4c5cnn(c5)CC(=O)N6CCOCC6)N	O60674	Q06187	5.163422725159351	7.928117992693875	2.764695267534524	Different Family
[O75116, Q16513]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	O75116	Q16513	7.886056647693163	7.769551078621726	0.11650556907143717	Different Family
[O75116, Q16513]	CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	O75116	Q16513	7.638272163982407	6.129596094720973	1.5086760692614343	Different Family
[O75116, Q16513]	CC(C)(CNc1c2ccncc2nc(n1)c3ccncc3)N	O75116	Q16513	7.958607314841775	7.236572006437063	0.7220353084047115	Different Family
[O75116, Q16513]	CC(C1CCC(CC1)C(=O)Nc2ccncc2)N	O75116	Q16513	6.939278712470765	6.221848749616356	0.7174299628544087	Different Family
[O75116, Q16513]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O75116	Q16513	8.045757490560675	5.619788758288394	2.425968732272281	Different Family
[O75116, Q16513]	c1cc2c(cc1c3nc4cnccc4c(n3)N5CCNCC5)cn[nH]2	O75116	Q16513	7.853871964321762	6.011441043121384	1.8424309212003775	Different Family
[O75116, Q16513]	c1ccc2c(c1)c(nc(n2)c3ccc4c(c3)cn[nH]4)N5CCNCC5	O75116	Q16513	7.853871964321762	6.002176919254275	1.851695045067487	Different Family
[O75116, Q16513]	c1ccc2c(c1)c(nc(n2)c3ccc4c(c3)cn[nH]4)NCCN	O75116	Q16513	7.698970004336019	6.021819483062586	1.6771505212734326	Different Family
[O75116, Q16513]	c1ccc2c(c1)cc(nc2N3CCNCC3)c4ccc5c(c4)cn[nH]5	O75116	Q16513	6.920818753952375	6.036212172654444	0.8846065812979305	Different Family
[O75116, Q16513]	c1cnccc1c2cc3cnccc3c(n2)NCCN	O75116	Q16513	7.585026652029182	8.154901959985743	0.5698753079565613	Different Family
[O75116, Q13464]	CC(=O)NCC(CN1CCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4)O	O75116	Q13464	7.167491087293763	6.455931955649724	0.7115591316440391	Same Family
[O75116, Q13464]	CC(=O)NCCCN1CCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4	O75116	Q13464	7.1249387366083	6.460923901207224	0.6640148354010762	Same Family
[O75116, Q13464]	CC(=O)Nc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.886056647693163	5.886056647693163	1.0	Same Family
[O75116, Q13464]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	O75116	Q13464	7.886056647693163	7.6777807052660805	0.20827594242708258	Same Family
[O75116, Q13464]	CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	O75116	Q13464	7.638272163982407	7.494850021680094	0.1434221423023132	Same Family
[O75116, Q13464]	CC(C)(CNc1c2ccncc2nc(n1)c3ccncc3)N	O75116	Q13464	7.958607314841775	7.920818753952375	0.03778856088939975	Same Family
[O75116, Q13464]	CC(C)Oc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	5.46344155742847	4.886056647693163	0.577384909735307	Same Family
[O75116, Q13464]	CC(C1CCC(CC1)C(=O)Nc2ccnc3c2cc[nH]3)N	O75116	Q13464	8.0	7.522878745280337	0.4771212547196626	Same Family
[O75116, Q13464]	CC(C1CCC(CC1)C(=O)Nc2ccncc2)N	O75116	Q13464	6.939278712470765	6.851465265575467	0.08781344689529824	Same Family
[O75116, Q13464]	CC(c1cccc(c1)Cl)NC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.107905397309519	6.1938200260161125	0.9140853712934067	Same Family
[O75116, Q13464]	CCCOc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.167491087293763	5.473660722610156	0.693830364683607	Same Family
[O75116, Q13464]	CCN(CC)c1c(nc(cn1)c2ccncc2)N3CCCN(CC3)C	O75116	Q13464	5.173925197299174	5.585026652029182	0.4111014547300078	Same Family
[O75116, Q13464]	CCN(Cc1cccc(c1)OC)C(=O)Nc2ccc(cc2OC3CCN(C3)C)c4c[nH]nc4	O75116	Q13464	9.0	8.397940008672037	0.6020599913279625	Same Family
[O75116, Q13464]	CCOc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.537602002101044	5.6777807052660805	0.8598212968349639	Same Family
[O75116, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	O75116	Q13464	8.18837535480105	8.13557131099318	0.052804043807869405	Same Family
[O75116, Q13464]	CCn1c2cc(ncc2nc1c3c(non3)N)Oc4cccc(c4)NC(=O)c5ccc(cc5)OCCN6CCOCC6	O75116	Q13464	8.397940008672037	8.770303756120384	0.37236374744834677	Same Family
[O75116, Q13464]	CN(C)CC(CN1CCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4)O	O75116	Q13464	7.119186407719209	6.540607512240769	0.5785788954784392	Same Family
[O75116, Q13464]	CN(C)CCC(c1ccccc1)NC(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	8.698970004336019	8.221848749616356	0.4771212547196626	Same Family
[O75116, Q13464]	CN(C)CCN(Cc1cccc(c1)OC)C(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	9.0	8.221848749616356	0.7781512503836439	Same Family
[O75116, Q13464]	CN(C)CCN(Cc1cccc(c1)OC)C(=O)Nc2ccc(cn2)c3c[nH]nc3	O75116	Q13464	8.698970004336019	8.0	0.6989700043360187	Same Family
[O75116, Q13464]	CN(C)CCOc1cc(ccc1NC(=O)C2COc3ccccc3O2)c4c[nH]nc4	O75116	Q13464	8.522878745280337	7.251811972993799	1.271066772286538	Same Family
[O75116, Q13464]	CN(C)c1c(nc(cn1)c2ccncc2)N3CCN(CC3)CCO	O75116	Q13464	6.522878745280337	5.853871964321762	0.6690067809585756	Same Family
[O75116, Q13464]	CN(Cc1cccc(c1)OC)C(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	9.0	8.397940008672037	0.6020599913279625	Same Family
[O75116, Q13464]	CN(Cc1cccc(c1)OC)C(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.823908740944319	7.3979400086720375	0.42596873227228116	Same Family
[O75116, Q13464]	CN(Cc1ccccc1)C(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.154901959985743	6.958607314841775	0.19629464514396844	Same Family
[O75116, Q13464]	CN(c1nc(cs1)c2ccncc2)C(=O)NCc3cccc(c3)OC	O75116	Q13464	8.154901959985743	7.522878745280337	0.6320232147054057	Same Family
[O75116, Q13464]	CN1CC(C(C1)c2[nH]c(=O)c3cc(ccc3n2)c4c[nH]nc4)c5ccc(cc5)OC	O75116	Q13464	8.301029995663981	7.886056647693163	0.4149733479708182	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3cc[nH]n3)N	O75116	Q13464	5.5376020021010435	4.431798275933005	1.1058037261680385	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccc4c(c3)cn[nH]4)N	O75116	Q13464	6.022276394711152	5.638272163982407	0.38400423072874545	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3cccc4c3cn[nH]4)N	O75116	Q13464	5.6020599913279625	5.017728766960432	0.5843312243675305	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccnc(c3)N)N	O75116	Q13464	4.275724130399211	4.6020599913279625	0.32633586092875166	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccnc4c3cc[nH]4)N	O75116	Q13464	6.275724130399211	5.823908740944319	0.4518153894548922	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N	O75116	Q13464	5.6020599913279625	5.337242168318426	0.2648178230095368	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N(C)C	O75116	Q13464	5.769551078621726	5.187086643357144	0.5824644352645816	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N(C)CCOC	O75116	Q13464	4.346787486224656	4.318758762624412	0.028028723600243666	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4	O75116	Q13464	6.481486060122113	5.221848749616356	1.2596373105057568	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCCC4	O75116	Q13464	6.251811972993799	4.7447274948966935	1.5070844780971058	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCOCC4	O75116	Q13464	5.200659450546418	4.167491087293763	1.0331683632526545	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)NCCO	O75116	Q13464	5.522878745280337	4.376750709602099	1.1461280356782382	Same Family
[O75116, Q13464]	CN1CCCN(CC1)c2c(ncc(n2)c3ccncc3)NCCOC	O75116	Q13464	4.2839966563652006	5.0	0.7160033436347994	Same Family
[O75116, Q13464]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	O75116	Q13464	6.954677021213342	5.987162775294828	0.9675142459185144	Same Family
[O75116, Q13464]	CN1c2ccc(cc2C(=O)NC(C1=O)Cc3ccc(cc3)c4ccnc5c4cc[nH]5)Cl	O75116	Q13464	6.6020599913279625	5.292429823902063	1.3096301674258992	Same Family
[O75116, Q13464]	CN1c2ccc(cc2C(=O)NC(C1=O)Cc3ccc(cc3)c4ccnc5c4cc[nH]5)OC	O75116	Q13464	6.698970004336019	5.552841968657781	1.1461280356782382	Same Family
[O75116, Q13464]	CNC1CCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4	O75116	Q13464	6.6020599913279625	5.7447274948966935	0.857332496431269	Same Family
[O75116, Q13464]	CNCC1CCN(CC1)c2c(ncc(n2)c3ccncc3)N4CCCC4	O75116	Q13464	7.309803919971486	6.823908740944319	0.4858951790271675	Same Family
[O75116, Q13464]	CNc1c(nc(cn1)c2ccncc2)N3CCCN(CC3)C	O75116	Q13464	5.619788758288394	5.161150909262744	0.4586378490256493	Same Family
[O75116, Q13464]	COCCOc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.619788758288394	6.301029995663981	0.3187587626244124	Same Family
[O75116, Q13464]	COc1cc(cc2c1nc([nH]c2=O)C(Cc3cccc(c3)F)N)c4c[nH]nc4	O75116	Q13464	8.1259059864969	8.154901959985743	0.02899597348884342	Same Family
[O75116, Q13464]	COc1cc(cc2c1nc([nH]c2=O)C(c3cccc(c3)Cl)N)c4c[nH]nc4	O75116	Q13464	8.096910013008056	8.096910013008056	0.0	Same Family
[O75116, Q13464]	COc1ccc(cc1)C(c2[nH]c(=O)c3cc(ccc3n2)c4c[nH]nc4)N	O75116	Q13464	7.366531544420414	7.318758762624412	0.04777278179600142	Same Family
[O75116, Q13464]	COc1ccc(cc1)CC(c2[nH]c(=O)c3cc(ccc3n2)c4c[nH]nc4)N	O75116	Q13464	8.397940008672037	7.795880017344075	0.6020599913279625	Same Family
[O75116, Q13464]	COc1ccc(cc1OC)C(=O)NCc2cccc(c2)C(=O)NCCc3ccncc3	O75116	Q13464	5.638272163982407	5.366531544420414	0.27174061956199314	Same Family
[O75116, Q13464]	COc1cccc(c1)C(CCO)NC(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	8.698970004336019	7.958607314841775	0.7403626894942441	Same Family
[O75116, Q13464]	COc1cccc(c1)CN(CCN2CCCC2)C(=O)Nc3ccc(cc3)c4c[nH]nc4	O75116	Q13464	8.522951139760405	7.886056647693163	0.6368944920672419	Same Family
[O75116, Q13464]	COc1cccc(c1)CN(CCN2CCCCC2)C(=O)Nc3ccc(cc3)c4c[nH]nc4	O75116	Q13464	8.301029995663981	7.853871964321762	0.44715803134221943	Same Family
[O75116, Q13464]	COc1cccc(c1)CN(CCN2CCOCC2)C(=O)Nc3ccc(cc3)c4c[nH]nc4	O75116	Q13464	7.886056647693163	7.236572006437063	0.6494846412561	Same Family
[O75116, Q13464]	COc1cccc(c1)CN(CCO)C(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	9.0	8.221848749616356	0.7781512503836439	Same Family
[O75116, Q13464]	COc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.958607314841775	7.568636235841013	0.38997107900076156	Same Family
[O75116, Q13464]	COc1ccccc1CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.327902142064283	5.853871964321762	0.4740301777425211	Same Family
[O75116, Q13464]	CS(=O)(=O)Nc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.0	6.251811972993799	0.7481880270062007	Same Family
[O75116, Q13464]	Cc1c2cc(ccc2[nH]n1)c3cncc(n3)N4CCCNCC4	O75116	Q13464	7.443697499232713	6.853871964321762	0.5898255349109514	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=NC#N)Nc4ccc(c(c4)Br)F	O75116	Q13464	5.657577319177793	6.508638306165727	0.8510609869879335	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=NC#N)Nc4cccc(c4)Br	O75116	Q13464	5.568636235841013	6.585026652029182	1.0163904161881687	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=O)Nc4ccc(c(c4)Br)F	O75116	Q13464	6.552841968657781	7.292429823902063	0.7395878552442827	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C	O75116	Q13464	5.958607314841775	6.309803919971486	0.3511966051297115	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	Q13464	6.1073489661227	5.621602099051862	0.48574686707083803	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)Cl	O75116	Q13464	5.3608124400642465	5.2280452510360504	0.13276718902819606	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)F	O75116	Q13464	5.489589051989823	5.406713932979542	0.08287511901028033	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)Cl	O75116	Q13464	4.948076083953893	4.822463500070138	0.12561258388375496	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)OC	O75116	Q13464	5.492279023314387	5.364817951343732	0.1274610719706546	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4	O75116	Q13464	5.182765269574502	5.256803918551299	0.07403864897679657	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4Cl	O75116	Q13464	5.47638358094563	5.357535479757878	0.11884810118775135	Same Family
[O75116, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	Q13464	5.793713955587568	5.891773343625071	0.09805938803750358	Same Family
[O75116, Q13464]	Cc1ccc(cc1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	5.698970004336019	5.2839966563652006	0.4149733479708182	Same Family
[O75116, Q13464]	Cc1ccc(cc1)N(CCO)C(=O)Nc2ccc(cc2)c3c4c(c[nH]c4ncn3)C	O75116	Q13464	5.226798857643655	5.117589315626032	0.10920954201762356	Same Family
[O75116, Q13464]	Cc1cccc(c1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.920818753952375	6.337242168318426	0.5835765856339492	Same Family
[O75116, Q13464]	Cc1ccccc1CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.920818753952375	6.823908740944319	0.09691001300805624	Same Family
[O75116, Q13464]	Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3C	O75116	Q13464	8.110924374808178	8.301029995663981	0.19010562085580318	Same Family
[O75116, Q13464]	Cc1cnccc1c2cnc(c(n2)N3CCCN(CC3)C)N	O75116	Q13464	4.236572006437063	3.9208187539523753	0.3157532524846878	Same Family
[O75116, Q13464]	c1c2cn[nH]c2cnc1c3cnc(c(n3)N4CCCNCC4)N5CCCC5	O75116	Q13464	7.187086643357144	6.692503962086787	0.49458268127035687	Same Family
[O75116, Q13464]	c1c[nH]c2c1c(ccn2)c3cnc(c(n3)N4CCC(CC4)N)N5CCCC5	O75116	Q13464	7.050609993355087	6.522878745280337	0.5277312480747494	Same Family
[O75116, Q13464]	c1c[nH]c2c1c(ccn2)c3cnc(c(n3)N4CCCNCC4)N5CCCC5	O75116	Q13464	7.6777807052660805	6.769551078621726	0.9082296266443546	Same Family
[O75116, Q13464]	c1c[nH]c2c1c(ccn2)c3cnc(c(n3)N4CCNCC4)N5CCCC5	O75116	Q13464	7.769551078621726	7.468521082957745	0.30102999566398125	Same Family
[O75116, Q13464]	c1cc(c2cc[nH]c2c1)CNC(=O)Nc3nc(cs3)c4ccncc4	O75116	Q13464	4.507239610973163	4.422508200162775	0.08473141081038804	Same Family
[O75116, Q13464]	c1cc(cc(c1)Cl)C(c2[nH]c(=O)c3cc(ccc3n2)c4c[nH]nc4)N	O75116	Q13464	7.886056647693163	7.823908740944319	0.062147906748844406	Same Family
[O75116, Q13464]	c1cc(cc(c1)Cl)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.221848749616356	6.853871964321762	0.3679767852945943	Same Family
[O75116, Q13464]	c1cc(cc(c1)F)C(CCO)NC(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	8.698970004336019	8.0	0.6989700043360187	Same Family
[O75116, Q13464]	c1cc(cc(c1)F)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.301029995663981	7.0	0.30102999566398125	Same Family
[O75116, Q13464]	c1cc(cc(c1)N)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.698970004336019	7.301029995663981	0.3979400086720375	Same Family
[O75116, Q13464]	c1cc(cc(c1)NC(=O)N)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	6.7447274948966935	5.920818753952375	0.8239087409443187	Same Family
[O75116, Q13464]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q13464	7.101296975161809	6.327902142064283	0.7733948330975258	Same Family
[O75116, Q13464]	c1cc(ccc1CC(c2[nH]c(=O)c3cc(ccc3n2)c4c[nH]nc4)N)F	O75116	Q13464	8.071333751784366	7.933230545814891	0.13810320596947445	Same Family
[O75116, Q13464]	c1cc(ccc1CN)C(=O)NC(c2ccc(cc2)Cl)c3[nH]c(=O)c4cc(ccc4n3)c5c[nH]nc5	O75116	Q13464	7.7447274948966935	7.657577319177793	0.08715017571890016	Same Family
[O75116, Q13464]	c1cc(ccc1CNC(=O)Nc2nc(cs2)c3ccncc3)Cl	O75116	Q13464	5.958607314841775	5.619788758288394	0.338818556553381	Same Family
[O75116, Q13464]	c1cc(ccc1CNC(=O)Nc2nc(cs2)c3ccncc3)F	O75116	Q13464	6.721246399047171	6.2441251443275085	0.4771212547196626	Same Family
[O75116, Q13464]	c1cc(ccc1CNC(=O)Nc2nc(cs2)c3ccncc3)O	O75116	Q13464	6.853871964321762	6.42021640338319	0.43365556093857194	Same Family
[O75116, Q13464]	c1cc2c(cc1c3cncc(n3)N4CCCNCC4)cn[nH]2	O75116	Q13464	7.619788758288394	6.978810700930062	0.6409780573583319	Same Family
[O75116, Q13464]	c1cc2c(cc1c3nc4cnccc4c(n3)N5CCNCC5)cn[nH]2	O75116	Q13464	7.853871964321762	7.443697499232713	0.41017446508904865	Same Family
[O75116, Q13464]	c1ccc(c(c1)CNC(=O)Nc2nc(cs2)c3ccncc3)Cl	O75116	Q13464	6.958607314841775	6.468521082957745	0.49008623188403	Same Family
[O75116, Q13464]	c1ccc(c(c1)CNC(=O)Nc2nc(cs2)c3ccncc3)F	O75116	Q13464	6.920818753952375	6.3979400086720375	0.5228787452803374	Same Family
[O75116, Q13464]	c1ccc(c(c1)CNC(=O)Nc2nc(cs2)c3ccncc3)O	O75116	Q13464	6.552841968657781	6.2076083105017466	0.345233658156034	Same Family
[O75116, Q13464]	c1ccc(cc1)C(C(=O)Nc2ccc3cnccc3c2)N	O75116	Q13464	8.823908740944319	8.221848749616356	0.6020599913279625	Same Family
[O75116, Q13464]	c1ccc(cc1)C(CN)C(=O)Nc2ccc3cnccc3c2	O75116	Q13464	8.958607314841775	8.920818753952375	0.03778856088939975	Same Family
[O75116, Q13464]	c1ccc(cc1)C2CNCC2c3[nH]c(=O)c4cc(ccc4n3)c5c[nH]nc5	O75116	Q13464	9.0	8.698970004336019	0.30102999566398125	Same Family
[O75116, Q13464]	c1ccc(cc1)CN(CCO)C(=O)Nc2ccc(cc2)c3c[nH]nc3	O75116	Q13464	7.920999785426764	7.481486060122113	0.4395137253046508	Same Family
[O75116, Q13464]	c1ccc(cc1)CNC(=O)Nc2nc(cs2)c3ccncc3	O75116	Q13464	7.301029995663981	6.769551078621726	0.5314789170422554	Same Family
[O75116, Q13464]	c1ccc2c(c1)OCC(O2)C(=O)Nc3nc(cs3)c4ccncc4	O75116	Q13464	9.2518119729938	7.886056647693163	1.3657553253006363	Same Family
[O75116, Q13464]	c1ccc2c(c1)c(nc(n2)c3ccc4c(c3)cn[nH]4)N5CCNCC5	O75116	Q13464	7.853871964321762	7.4089353929735005	0.44493657134826137	Same Family
[O75116, Q13464]	c1ccc2c(c1)c(nc(n2)c3ccc4c(c3)cn[nH]4)NCCCN	O75116	Q13464	7.0	6.632644078973981	0.3673559210260189	Same Family
[O75116, Q13464]	c1ccc2c(c1)c(nc(n2)c3ccc4c(c3)cn[nH]4)NCCN	O75116	Q13464	7.698970004336019	7.2839966563652006	0.4149733479708182	Same Family
[O75116, Q13464]	c1ccc2c(c1)c(nc(n2)c3cccc(c3)OCC(=O)N)Nc4ccc5c(c4)cn[nH]5	O75116	Q13464	6.2839966563652006	5.585026652029182	0.6989700043360187	Same Family
[O75116, Q13464]	c1ccc2c(c1)cc(nc2N3CCNCC3)c4ccc5c(c4)cn[nH]5	O75116	Q13464	6.920818753952375	6.85078088734462	0.07003786660775457	Same Family
[O75116, Q13464]	c1cnccc1c2cc3cnccc3c(n2)NCCN	O75116	Q13464	7.585026652029182	7.522878745280337	0.062147906748844406	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCC(CC3)CN)N4CCCC4	O75116	Q13464	7.552841968657781	6.886056647693163	0.6667853209646175	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCC(CC3)N)N4CCCC4	O75116	Q13464	7.2076083105017466	6.537602002101044	0.6700063084007022	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCCNCC3)N4CCCC4	O75116	Q13464	7.4089353929735005	6.494850021680094	0.9140853712934067	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N	O75116	Q13464	5.6020599913279625	5.337242168318426	0.2648178230095368	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N4CCCC4	O75116	Q13464	7.25842039514151	6.383501944803923	0.8749184503375869	Same Family
[O75116, Q13464]	c1cnccc1c2cnc(c(n2)N3CCNCC3)N4CCCC4	O75116	Q13464	7.2076083105017466	6.214670164989233	0.9929381455125137	Same Family
[O75116, P53667]	CC(C)NC(=O)c1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4c([nH]cn4)ncn3	O75116	P53667	5.254144804826271	5.816160962943579	0.5620161581173084	Different Group
[O75116, P53667]	CC(C)NC(=O)c1cccc(c1)NC(=O)Nc2ccc(cc2)c3c4cc[nH]c4ncn3	O75116	P53667	5.864867348623225	6.696803942579511	0.8319365939562866	Different Group
[O75116, P53667]	CCC(C)OC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	O75116	P53667	6.863279432843593	7.301029995663981	0.43775056282038793	Different Group
[O75116, P53667]	CCCOC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	O75116	P53667	7.3872161432802645	7.301029995663981	0.08618614761628329	Different Group
[O75116, P53667]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)C#N)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	8.602059991327963	7.6020599913279625	1.0	Different Group
[O75116, P53667]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)F)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	8.244125144327509	7.698970004336019	0.5451551399914898	Different Group
[O75116, P53667]	CN(C)CC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	8.744727494896694	7.638272163982407	1.1064553309142866	Different Group
[O75116, P53667]	CN(C)CC1(CCN(CC1)c2c3cn[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	7.2076083105017466	6.549750891680639	0.6578574188211075	Different Group
[O75116, P53667]	CN(C)CC1(CCN(CC1)c2ccnc3c2cn[nH]3)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	7.958607314841775	7.187086643357144	0.7715206714846303	Different Group
[O75116, P53667]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P53667	7.173925197299173	7.508638306165727	0.3347131088665538	Different Group
[O75116, P53667]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3cc(ncn3)N)N	O75116	P53667	5.686132779630847	6.024568191490737	0.3384354118598907	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N	O75116	P53667	7.0	7.7447274948966935	0.7447274948966935	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N(C)C	O75116	P53667	7.200659450546419	7.431798275933005	0.23113882538658626	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4ccc(cc4)C(=O)OC	O75116	P53667	8.142667503568731	7.3872161432802645	0.7554513602884665	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	8.050609993355087	7.568636235841013	0.4819737575140737	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC(C)C	O75116	P53667	7.275724130399211	7.3872161432802645	0.1114920128810537	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OCC#C	O75116	P53667	7.795880017344075	8.119186407719209	0.32330639037513365	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)CC(=O)OC	O75116	P53667	7.251811972993799	7.2441251443275085	0.007686828666290779	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C	O75116	P53667	7.3979400086720375	7.721246399047171	0.32330639037513365	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)OCC(=O)OC	O75116	P53667	8.102372908709558	7.42021640338319	0.6821565053263683	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)C(F)(F)F)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	P53667	6.010550182333308	7.221848749616356	1.2112985672830483	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)F)NC(=O)N(CCO)c4ccccc4	O75116	P53667	5.3460160926259315	7.070581074285707	1.7245649816597757	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	P53667	6.1073489661227	7.7447274948966935	1.6373785287739935	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)F)NC(=O)Nc4cncnc4	O75116	P53667	5.99097425791309	7.259637310505756	1.2686630525926663	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)OCCN(C)C)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	P53667	5.149782758201611	6.1487416512809245	0.9989588930793136	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCN)c4ccc(cc4)Cl	O75116	P53667	6.337242168318426	7.6777807052660805	1.3405385369476548	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)Cl	O75116	P53667	5.3608124400642465	7.6020599913279625	2.241247551263716	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)F	O75116	P53667	5.489589051989823	7.0655015487564325	1.5759124967666098	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)Cl	O75116	P53667	4.948076083953893	7.173925197299173	2.22584911334528	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)F	O75116	P53667	5.721703791908726	6.995678626217358	1.273974834308632	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)OC	O75116	P53667	5.492279023314387	7.0	1.5077209766856132	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4	O75116	P53667	5.182765269574502	7.366531544420414	2.1837662748459117	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4Cl	O75116	P53667	5.47638358094563	7.236572006437063	1.7601884254914335	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4F	O75116	P53667	5.794524963259109	6.87942606879415	1.0849011055350415	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	O75116	P53667	5.793713955587568	7.2076083105017466	1.413894354914179	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4cccc(c4)F	O75116	P53667	5.2659205927194055	6.501689446210399	1.2357688534909936	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4cccc(c4)OC	O75116	P53667	5.5897290357478155	7.1249387366083	1.5352097008604844	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4ccccc4	O75116	P53667	5.62745619924093	6.847711655616943	1.2202554563760133	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4ccccc4OC	O75116	P53667	5.177047759452519	6.54821356447571	1.3711658050231916	Different Group
[O75116, P53667]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4nccs4	O75116	P53667	5.640164517660112	6.692503962086787	1.0523394444266758	Different Group
[O75116, P53667]	Cc1cc(ccn1)NC(=O)Nc2ccc(cc2F)c3c4c(c[nH]c4ncn3)C	O75116	P53667	5.696587929403258	7.721246399047171	2.0246584696439127	Different Group
[O75116, P53667]	Cc1cc2c([nH]1)ncnc2N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53667	6.18575240426808	7.638272163982407	1.4525197597143267	Different Group
[O75116, P53667]	Cc1ccc(cc1)N(CCO)C(=O)Nc2ccc(cc2)c3c4c(c[nH]c4ncn3)C	O75116	P53667	5.226798857643655	7.431798275933005	2.2049994182893498	Different Group
[O75116, P53667]	Cc1ccc(cn1)NC(=O)Nc2ccc(cc2F)c3c4c(c[nH]c4ncn3)C	O75116	P53667	5.674895017028592	7.958607314841775	2.2837122978131825	Different Group
[O75116, P53667]	Cc1cccc(c1)N(CCO)C(=O)Nc2ccc(cc2)c3c4c(c[nH]c4ncn3)C	O75116	P53667	5.048662481204082	6.82102305270683	1.7723605715027482	Different Group
[O75116, P31749]	CC(=O)NCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.739928612014925	7.508638306165727	0.768709694150802	Different Family
[O75116, P31749]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	5.969805214643249	5.923723744595782	0.046081470047466766	Different Family
[O75116, P31749]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.8696662315049934	8.045757490560675	1.1760912590556813	Different Family
[O75116, P31749]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	5.941573975542995	6.73754891026957	0.7959749347265754	Different Family
[O75116, P31749]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.87942606879415	6.826813731587726	0.05261233720642444	Different Family
[O75116, P31749]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	5.501827339363456	5.56019378860667	0.05836644924321366	Different Family
[O75116, P31749]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	5.88706002391592	5.881735273910521	0.005324750005399004	Different Family
[O75116, P31749]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.8996294548824375	8.154901959985743	1.2552725051033056	Different Family
[O75116, P31749]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	O75116	P31749	8.18837535480105	6.480172006224281	1.7082033485767685	Different Family
[O75116, P31749]	CN(C)C(=O)CC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.575118363368933	7.376750709602099	0.8016323462331663	Different Family
[O75116, P31749]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	7.488579694561736	8.610924374808178	1.1223446802464423	Different Family
[O75116, P31749]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	7.1487416512809245	8.522878745280337	1.3741370939994129	Different Family
[O75116, P31749]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.690369832574102	8.0	1.3096301674258983	Different Family
[O75116, P31749]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	O75116	P31749	5.167491087293763	5.318758762624412	0.151267675330649	Different Family
[O75116, P31749]	CS(=O)(=O)NCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	7.045757490560675	7.795880017344075	0.7501225267834002	Different Family
[O75116, P31749]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P31749	6.815308569182402	8.154901959985743	1.3395933908033415	Different Family
[O75116, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O75116	P31749	8.045757490560675	5.154901959985743	2.8908555305749317	Different Family
[O75116, P31749]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	6.454692883534176	7.522878745280337	1.0681858617461613	Different Family
[O75116, P31749]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	6.583359492661719	8.301029995663981	1.717670503002262	Different Family
[O75116, P31749]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	6.982966660701219	8.397940008672037	1.4149733479708182	Different Family
[O75116, P31749]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	6.950781977329818	8.301029995663981	1.3502480183341632	Different Family
[O75116, P31749]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	6.872895201635193	8.301029995663981	1.4281347940287885	Different Family
[O75116, P31749]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	7.119186407719209	8.221848749616356	1.1026623418971475	Different Family
[O75116, P31749]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	7.4089353929735005	8.397940008672037	0.989004615698537	Different Family
[O75116, P31749]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	P31749	7.468521082957745	8.397940008672037	0.9294189257142929	Different Family
[O75116, P31749]	c1cc(ccc1C(CCS(=O)(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	7.2076083105017466	8.221848749616356	1.0142404391146096	Different Family
[O75116, P31749]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	7.050609993355087	8.154901959985743	1.1042919666306563	Different Family
[O75116, P31749]	c1cc(ccc1C(CS(=O)(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	7.431798275933005	7.920818753952375	0.4890204780193699	Different Family
[O75116, P31749]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	P31749	7.012560013496535	7.886056647693163	0.8734966341966279	Different Family
[O75116, P31749]	c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br	O75116	P31749	5.44000006551306	5.6690251747664755	0.22902510925341524	Different Family
[O75116, P31749]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	O75116	P31749	6.239577516576788	7.3872161432802645	1.1476386267034764	Different Family
[O75116, P31749]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	O75116	P31749	6.23210238398191	7.508638306165727	1.2765359221838173	Different Family
[O75116, Q9Y243]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	5.969805214643249	5.5386515663520175	0.4311536482912315	Different Family
[O75116, Q9Y243]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	6.8696662315049934	6.7544873321858505	0.11517889931914294	Different Family
[O75116, Q9Y243]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	5.941573975542995	6.121478204498794	0.17990422895579883	Different Family
[O75116, Q9Y243]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	6.87942606879415	6.235077015350112	0.6443490534440386	Different Family
[O75116, Q9Y243]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	5.501827339363456	5.09339562827502	0.40843171108843634	Different Family
[O75116, Q9Y243]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	5.88706002391592	5.370590400897281	0.5164696230186392	Different Family
[O75116, Q9Y243]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	6.8996294548824375	7.823908740944319	0.9242792860618811	Different Family
[O75116, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	O75116	Q9Y243	8.18837535480105	5.889410289700751	2.2989650651002984	Different Family
[O75116, Q9Y243]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	7.488579694561736	8.154901959985743	0.6663222654240073	Different Family
[O75116, Q9Y243]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	7.1487416512809245	8.397940008672037	1.249198357391113	Different Family
[O75116, Q9Y243]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	6.690369832574102	7.0	0.30963016742589833	Different Family
[O75116, Q9Y243]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	Q9Y243	6.815308569182402	7.522878745280337	0.7075701760979358	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q9Y243	6.454692883534176	6.978810700930062	0.5241178173958856	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	6.583359492661719	7.619788758288394	1.0364292656266745	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	6.982966660701219	7.443697499232713	0.4607308385314939	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	6.950781977329818	8.0	1.049218022670182	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	6.872895201635193	7.823908740944319	0.9510135393091259	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q9Y243	7.119186407719209	7.657577319177793	0.5383909114585848	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	7.4089353929735005	7.7447274948966935	0.3357921019231931	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	O75116	Q9Y243	7.468521082957745	8.221848749616356	0.7533276666586115	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q9Y243	7.101296975161809	7.9604093769761874	0.8591124018143788	Different Family
[O75116, Q9Y243]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q9Y243	7.050609993355087	7.3979400086720375	0.34733001531695074	Different Family
[O75116, Q9Y243]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	O75116	Q9Y243	7.012560013496535	7.2441251443275085	0.2315651308309734	Different Family
[O75116, Q9Y243]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	O75116	Q9Y243	6.239577516576788	6.568636235841013	0.3290587192642249	Different Family
[O75116, Q9Y243]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	O75116	Q9Y243	6.23210238398191	6.823908740944319	0.591806356962409	Different Family
[O75116, P53671]	CCC(C)OC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	O75116	P53671	6.863279432843593	8.337242168318426	1.4739627354748324	Different Group
[O75116, P53671]	CCCOC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	O75116	P53671	7.3872161432802645	8.67778070526608	1.290564561985816	Different Group
[O75116, P53671]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)C#N)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	8.602059991327963	8.397940008672037	0.20411998265592501	Different Group
[O75116, P53671]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)F)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	8.244125144327509	8.55284196865778	0.30871682433027203	Different Group
[O75116, P53671]	CN(C)CC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	8.744727494896694	7.886056647693163	0.8586708472035305	Different Group
[O75116, P53671]	CN(C)CC1(CCN(CC1)c2c3cn[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	7.2076083105017466	6.714442690992226	0.4931656195095204	Different Group
[O75116, P53671]	CN(C)CC1(CCN(CC1)c2ccnc3c2cn[nH]3)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	7.958607314841775	6.562249437179612	1.3963578776621626	Different Group
[O75116, P53671]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	O75116	P53671	7.173925197299173	8.017728766960431	0.843803569661258	Different Group
[O75116, P53671]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3cc(ncn3)N)N	O75116	P53671	5.686132779630847	5.341035157335565	0.34509762229528196	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N	O75116	P53671	7.0	8.130768280269024	1.1307682802690238	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N(C)C	O75116	P53671	7.200659450546419	7.920818753952375	0.7201593034059561	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4ccc(cc4)C(=O)OC	O75116	P53671	8.142667503568731	8.113509274827518	0.02915822874121332	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	8.050609993355087	8.823908740944319	0.7732987475892319	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC(C)C	O75116	P53671	7.275724130399211	8.657577319177793	1.3818531887785825	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=NC#N)Nc4ccc(c(c4)Br)F	O75116	P53671	5.657577319177793	8.823908740944319	3.1663314217665253	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=NC#N)Nc4cccc(c4)Br	O75116	P53671	5.568636235841013	9.045757490560675	3.4771212547196617	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=O)Nc4ccc(c(c4)Br)F	O75116	P53671	6.552841968657781	8.494850021680094	1.9420080530223132	Different Group
[O75116, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCN(C(C3)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C	O75116	P53671	5.958607314841775	8.920818753952375	2.9622114391106003	Different Group
[O75116, P53671]	Cc1cc2c([nH]1)ncnc2N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	O75116	P53671	6.18575240426808	8.096910013008056	1.911157608739976	Different Group
[P17252, Q05655]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	6.886056647693163	7.619788758288394	0.7337321105952306	Same Family
[P17252, Q05655]	CC(C)(C)C(=O)OCC(CO)c1ccc(cc1)OCc2ccccc2	P17252	Q05655	4.425968732272281	4.478861916295964	0.05289318402368259	Same Family
[P17252, Q05655]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	6.795880017344075	8.0	1.204119982655925	Same Family
[P17252, Q05655]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q05655	4.853871964321762	6.522878745280337	1.6690067809585756	Same Family
[P17252, Q05655]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q05655	4.431798275933005	5.698970004336019	1.2671717284030137	Same Family
[P17252, Q05655]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q05655	5.221848749616356	5.154901959985743	0.06694678963061307	Same Family
[P17252, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	P17252	Q05655	6.422508200162775	6.531652669587842	0.10914446942506739	Same Family
[P17252, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q05655	6.014573525916998	7.356547323513813	1.3419737975968147	Same Family
[P17252, Q05655]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	4.721246399047171	6.698970004336019	1.9777236052888476	Same Family
[P17252, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q05655	6.468521082957745	6.013228265733755	0.45529281722398984	Same Family
[P17252, Q05655]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	5.327902142064283	7.301029995663981	1.9731278535996983	Same Family
[P17252, Q05655]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q05655	6.081445469449727	8.096910013008056	2.0154645435583296	Same Family
[P17252, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P17252	Q05655	5.510807163199087	6.327902142064283	0.817094978865196	Same Family
[P17252, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P17252	Q05655	5.462591779677412	6.481486060122113	1.0188942804447008	Same Family
[P17252, Q05655]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	5.508638306165727	7.096910013008056	1.5882717068423293	Same Family
[P17252, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q05655	6.3979400086720375	6.522878745280337	0.1249387366082999	Same Family
[P17252, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	6.036212172654444	7.173925197299173	1.1377130246447287	Same Family
[P17252, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	5.657577319177793	7.301029995663981	1.6434526764861879	Same Family
[P17252, Q05655]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	Q05655	6.443697499232713	6.6020599913279625	0.15836249209524933	Same Family
[P17252, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P17252	Q05655	6.698970004336019	6.3979400086720375	0.30102999566398125	Same Family
[P17252, Q05655]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	Q05655	5.7447274948966935	5.552841968657781	0.19188552623891297	Same Family
[P17252, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	Q05655	6.619788758288394	6.769551078621726	0.14976232033333226	Same Family
[P17252, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	6.6020599913279625	7.7447274948966935	1.142667503568731	Same Family
[P17252, Q05655]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q05655	6.346787486224656	7.522878745280337	1.1760912590556813	Same Family
[P17252, Q05655]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P17252	Q05655	5.400841570820888	6.1249387366083	0.7240971657874118	Same Family
[P17252, Q05655]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q05655	4.958607314841775	6.886056647693163	1.9274493328513884	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P17252	Q05655	5.42021640338319	5.376750709602099	0.043465693781090664	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P17252	Q05655	6.3979400086720375	6.3979400086720375	0.0	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P17252	Q05655	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P17252	Q05655	5.221848749616356	5.221848749616356	0.0	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P17252	Q05655	6.096910013008056	6.0	0.09691001300805624	Same Family
[P17252, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P17252	Q05655	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P17252, Q05655]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q05655	5.443697499232713	7.045757490560675	1.6020599913279616	Same Family
[P17252, Q05655]	c1c2c(c(c(c1O)O)O)-c3c(cc(c(c3O)O)O)COC2	P17252	Q05655	4.431798275933005	4.366649016557956	0.06514925937504934	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P17252	Q05655	7.698970004336019	7.9604093769761874	0.2614393726401687	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P17252	Q05655	7.548455006504028	8.048455006504028	0.5	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P17252	Q05655	7.698970004336019	8.301029995663981	0.6020599913279625	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P17252	Q05655	7.349485002168009	8.261439372640169	0.9119543704721593	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	7.3979400086720375	9.022878745280337	1.6249387366083	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	P17252	Q05655	6.468521082957745	7.698970004336019	1.230448921378274	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	6.568636235841013	7.045757490560675	0.4771212547196617	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	5.173925197299174	7.045757490560675	1.8718322932615008	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	5.017728766960432	5.3979400086720375	0.3802112417116055	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	5.481486060122113	7.045757490560675	1.5642714304385619	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	5.292429823902063	7.301029995663981	2.008600171761918	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05655	7.657577319177793	8.301029995663981	0.6434526764861879	Same Family
[P17252, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P17252	Q05655	4.769551078621726	6.508638306165727	1.739087227544001	Same Family
[P17252, Q05655]	c1ccc(cc1)CC(=O)OCC(CO)c2ccc(cc2)OCc3ccccc3	P17252	Q05655	4.131355561605174	4.399027104313252	0.2676715427080776	Same Family
[P17252, Q05655]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	P17252	Q05655	6.087246696328677	6.030584087646019	0.056662608682658266	Same Family
[P17252, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	Q05655	5.200659450546418	5.107905397309519	0.09275405323689867	Same Family
[P17252, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P17252	Q05655	5.958607314841775	5.585026652029182	0.37358066281259283	Same Family
[P17252, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P17252	Q05655	5.455931955649724	5.481486060122113	0.025554104472388595	Same Family
[P17252, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P17252	Q05655	5.455931955649724	5.698970004336019	0.24303804868629442	Same Family
[P17252, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P17252	Q05655	6.142667503568732	6.161150909262744	0.01848340569401241	Same Family
[P17252, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P17252	Q05655	6.112945621949043	6.669586226650809	0.5566406047017658	Same Family
[P17252, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P17252	Q05655	6.363512103646634	7.200659450546419	0.8371473468997843	Same Family
[P17252, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P17252	Q05655	6.1700533040583645	7.275724130399211	1.1056708263408463	Same Family
[P17252, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P17252	Q05655	6.045757490560675	7.698970004336019	1.653212513775344	Same Family
[P05771, P17252]	CC(=O)C1=C(C=C2C(C1=O)(c3c(cc(c(c3O2)C(=O)N)O)O)C)O	P17252	P05771	5.991399828238082	6.455931955649724	0.4645321274116423	Same Family
[P05771, P17252]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	6.886056647693163	7.698970004336019	0.8129133566428557	Same Family
[P05771, P17252]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	6.795880017344075	7.698970004336019	0.9030899869919438	Same Family
[P05771, P17252]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	P05771	4.853871964321762	5.6020599913279625	0.7481880270062007	Same Family
[P05771, P17252]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	P05771	4.431798275933005	5.040958607678906	0.6091603317459011	Same Family
[P05771, P17252]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P05771	5.221848749616356	6.8979400086720375	1.6760912590556813	Same Family
[P05771, P17252]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	P05771	6.014573525916998	6.025949097207123	0.011375571290124675	Same Family
[P05771, P17252]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	4.721246399047171	4.698970004336019	0.022276394711152392	Same Family
[P05771, P17252]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P05771	6.468521082957745	7.6531365255381765	1.1846154425804318	Same Family
[P05771, P17252]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	5.327902142064283	6.356547323513812	1.0286451814495292	Same Family
[P05771, P17252]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	P05771	6.081445469449727	6.422508200162775	0.34106273071304827	Same Family
[P05771, P17252]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P17252	P05771	5.510807163199087	5.823908740944319	0.31310157774523173	Same Family
[P05771, P17252]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P17252	P05771	5.462591779677412	7.060480747381382	1.5978889677039696	Same Family
[P05771, P17252]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	5.508638306165727	5.657577319177793	0.14893901301206647	Same Family
[P05771, P17252]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P05771	6.3979400086720375	8.0	1.6020599913279625	Same Family
[P05771, P17252]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	6.036212172654444	5.795880017344075	0.24033215531036944	Same Family
[P05771, P17252]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	5.657577319177793	6.0	0.3424226808222066	Same Family
[P05771, P17252]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	P05771	6.443697499232713	8.25963296001283	1.8159354607801168	Same Family
[P05771, P17252]	CN(C)CCCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	P05771	5.651305809734459	7.3835921240769835	1.7322863143425247	Same Family
[P05771, P17252]	CN(C)CCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	P05771	6.136677139879544	7.821891432890132	1.6852142930105876	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C=C	P17252	P05771	6.6020599913279625	7.638272163982407	1.0362121726544444	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cc7ccccc7nc6	P17252	P05771	7.958607314841775	8.27642098432889	0.31781366948711565	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccc7ccccc7c6	P17252	P05771	7.2441251443275085	7.891258027893047	0.6471328835655381	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccc7c6cccc7	P17252	P05771	5.920818753952375	7.299041374741213	1.3782226207888382	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6ccccc6	P17252	P05771	6.823908740944319	7.611649408005794	0.7877406670614757	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccnc6	P17252	P05771	6.920818753952375	7.938074179516457	1.0172554255640822	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccs6	P17252	P05771	6.657577319177793	7.911954370472159	1.254377051294366	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cncc7c6cccc7	P17252	P05771	6.537602002101044	7.4300604567993815	0.8924584546983372	Same Family
[P05771, P17252]	CN(C)CCCn1c2ccccc2c(n1)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6csc7c6cccc7	P17252	P05771	6.214670164989233	7.248649912344719	1.0339797473554864	Same Family
[P05771, P17252]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)Cl	P17252	P05771	6.253365801062421	8.0	1.7466341989375787	Same Family
[P05771, P17252]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	P05771	6.337242168318426	7.920457143142827	1.5832149748244015	Same Family
[P05771, P17252]	CN(C)CCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	P05771	5.666149854897455	7.551450489942221	1.885300635044766	Same Family
[P05771, P17252]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P17252	P05771	6.698970004336019	7.849485002168009	1.1505149978319906	Same Family
[P05771, P17252]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	P05771	5.7447274948966935	7.5713337517843655	1.826606256887672	Same Family
[P05771, P17252]	CN1CCN(CC1)CCCn2c3ccccc3c(n2)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)c7ccc8ccccc8c7	P17252	P05771	6.494850021680094	7.121910241578096	0.6270602198980022	Same Family
[P05771, P17252]	CN1CCN(CC1)CCCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)Nc5ccccc5	P17252	P05771	6.014124642691606	7.6341572783181775	1.620032635626571	Same Family
[P05771, P17252]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	P05771	6.619788758288394	8.301029995663981	1.6812412373755876	Same Family
[P05771, P17252]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	6.6020599913279625	6.537602002101044	0.06445798922691814	Same Family
[P05771, P17252]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P05771	6.346787486224656	6.823908740944319	0.4771212547196626	Same Family
[P05771, P17252]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P17252	P05771	5.400841570820888	6.2839966563652006	0.8831550855443124	Same Family
[P05771, P17252]	Cc1cccc(c1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN(C)C	P17252	P05771	6.138465589140962	7.821891432890132	1.6834258437491698	Same Family
[P05771, P17252]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	P05771	4.958607314841775	5.455931955649724	0.4973246408079497	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P17252	P05771	5.42021640338319	7.6386830387330935	2.2184666353499036	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P17252	P05771	6.3979400086720375	7.849485002168009	1.4515449934959719	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P17252	P05771	6.522878745280337	7.761439372640169	1.2385606273598313	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P17252	P05771	5.221848749616356	7.411954370472159	2.190105620855803	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P17252	P05771	6.096910013008056	7.522878745280337	1.4259687322722812	Same Family
[P05771, P17252]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P17252	P05771	6.522878745280337	7.522878745280337	1.0	Same Family
[P05771, P17252]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	P05771	5.443697499232713	5.886056647693163	0.4423591484604499	Same Family
[P05771, P17252]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P17252	P05771	6.154901959985743	5.920818753952375	0.23408320603336819	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P17252	P05771	7.698970004336019	8.34948500216801	0.6505149978319906	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P17252	P05771	7.698970004336019	8.548455006504028	0.8494850021680094	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P17252	P05771	7.349485002168009	7.849485002168009	0.5	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	7.3979400086720375	7.349485002168009	0.04845500650402812	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)NS(=O)(=O)C(F)(F)F	P17252	P05771	7.0	7.301029995663981	0.30102999566398125	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	P17252	P05771	6.468521082957745	6.537602002101044	0.06908091914329972	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	6.568636235841013	6.512054431799104	0.056581804041909045	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	5.173925197299174	5.541773025725037	0.3678478284258633	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	5.017728766960432	5.363847077798956	0.3461183108385244	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	5.481486060122113	5.520002580835792	0.03851652071367884	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	5.292429823902063	5.492739730621038	0.20030990671897442	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P05771	7.657577319177793	7.750345712914612	0.09276839373681867	Same Family
[P05771, P17252]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P17252	P05771	4.769551078621726	4.657577319177793	0.11197375944393251	Same Family
[P05771, P17252]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	P05771	5.200659450546418	6.49506218314392	1.2944027325975025	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P17252	P05771	5.140681534902884	6.568367380687508	1.427685845784624	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN5CCCC5	P17252	P05771	6.1791420105603	7.742328053455809	1.5631860428955093	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN5CCCCC5	P17252	P05771	6.139063379299906	7.76475065325454	1.6256872739546333	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P17252	P05771	5.790484985457369	7.521435901161594	1.7309509157042244	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCSC(=N)N	P17252	P05771	7.568636235841013	8.694457133292563	1.1258208974515496	Same Family
[P05771, P17252]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P17252	P05771	6.480172006224281	8.092933212869315	1.6127612066450343	Same Family
[P05771, P17252]	c1ccc2c(c1)C3=C(CCNC(=O)C3=N2)c4c([nH]c(n4)N)O	P17252	P05771	5.595337299126277	5.470954829234231	0.12438246989204593	Same Family
[P05771, P17252]	c1ccc2c(c1)c([nH]n2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)c6cccnc6	P17252	P05771	6.0	6.4974097437481095	0.49740974374810953	Same Family
[P05771, P17252]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P17252	P05771	5.796151536253765	6.595395277731248	0.7992437414774827	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P17252	P05771	5.958607314841775	7.400122411373262	1.4415150965314876	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P17252	P05771	5.455931955649724	7.1386830387330935	1.6827510830833692	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P17252	P05771	5.455931955649724	7.365010161677338	1.9090782060276137	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P17252	P05771	6.142667503568732	7.394789710072473	1.2521222065037412	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P17252	P05771	7.0655015487564325	8.221848749616356	1.1563472008599236	Same Family
[P05771, P17252]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P17252	P05771	6.171984935776023	7.337242168318426	1.1652572325424027	Same Family
[P05771, P17252]	c1ccc2cc(ccc2c1)n3cc(c4c3cccc4)C5=C(C(=O)NC5=O)c6c7ccccc7n(n6)CCCN8CCCC8	P17252	P05771	6.318758762624412	7.1386830387330935	0.8199242761086811	Same Family
[P05771, P17252]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P17252	P05771	6.112945621949043	6.062983892535186	0.049961729413857014	Same Family
[P05771, P17252]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P17252	P05771	6.363512103646634	6.179798540514359	0.18371356313227505	Same Family
[P05771, P17252]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P17252	P05771	6.1700533040583645	6.108462542327436	0.06159076173092881	Same Family
[P05771, P17252]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P17252	P05771	6.045757490560675	6.066006836168758	0.020249345608083225	Same Family
[P17252, Q05513]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q05513	6.468521082957745	5.031517051446065	1.4370040315116794	Same Family
[P17252, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P17252	Q05513	5.510807163199087	4.481486060122113	1.029321103076974	Same Family
[P17252, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P17252	Q05513	5.462591779677412	5.070581074285707	0.392010705391705	Same Family
[P17252, Q05513]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q05513	6.3979400086720375	5.154901959985743	1.2430380486862944	Same Family
[P17252, Q05513]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P17252	Q05513	6.698970004336019	5.301029995663981	1.3979400086720375	Same Family
[P17252, Q05513]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	Q05513	6.619788758288394	4.657577319177793	1.9622114391106003	Same Family
[P17252, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P17252	Q05513	6.3979400086720375	5.3979400086720375	1.0	Same Family
[P17252, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P17252	Q05513	6.522878745280337	5.045757490560675	1.4771212547196626	Same Family
[P17252, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P17252	Q05513	6.096910013008056	5.096910013008056	1.0	Same Family
[P17252, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P17252	Q05513	6.522878745280337	5.3979400086720375	1.1249387366083	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P17252	Q05513	7.698970004336019	5.530740137411754	2.168229866924265	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P17252	Q05513	7.548455006504028	4.4387282379656225	3.1097267685384056	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P17252	Q05513	7.698970004336019	5.920818753952375	1.7781512503836439	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P17252	Q05513	7.349485002168009	4.849485002168009	2.5	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05513	7.3979400086720375	4.657577319177793	2.740362689494244	Same Family
[P17252, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q05513	5.481486060122113	3.9172146296835497	1.5642714304385632	Same Family
[P17252, Q05513]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	Q05513	5.200659450546418	4.267606240177032	0.933053210369386	Same Family
[P17252, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P17252	Q05513	5.958607314841775	4.356547323513813	1.6020599913279616	Same Family
[P17252, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P17252	Q05513	5.455931955649724	4.259637310505756	1.1962946451439684	Same Family
[P17252, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P17252	Q05513	6.142667503568732	5.060480747381382	1.0821867561873502	Same Family
[P17252, Q02156]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	6.886056647693163	6.886056647693163	0.0	Same Family
[P17252, Q02156]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	6.795880017344075	7.468521082957745	0.6726410656136697	Same Family
[P17252, Q02156]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q02156	4.853871964321762	6.1938200260161125	1.3399480616943507	Same Family
[P17252, Q02156]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q02156	4.431798275933005	5.5376020021010435	1.1058037261680385	Same Family
[P17252, Q02156]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q02156	5.221848749616356	5.221848749616356	0.0	Same Family
[P17252, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	P17252	Q02156	6.422508200162775	6.8326826652518236	0.41017446508904865	Same Family
[P17252, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q02156	6.014573525916998	7.7447274948966935	1.7301539689796952	Same Family
[P17252, Q02156]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	4.721246399047171	5.494850021680094	0.7736036226329226	Same Family
[P17252, Q02156]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q02156	6.468521082957745	6.4089353929735005	0.05958568998424418	Same Family
[P17252, Q02156]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	5.327902142064283	4.886056647693163	0.44184549437111986	Same Family
[P17252, Q02156]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q02156	6.081445469449727	8.301029995663981	2.2195845262142546	Same Family
[P17252, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P17252	Q02156	5.510807163199087	6.853871964321762	1.343064801122675	Same Family
[P17252, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P17252	Q02156	5.462591779677412	6.337242168318426	0.8746503886410135	Same Family
[P17252, Q02156]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	5.508638306165727	5.431798275933005	0.0768400302327219	Same Family
[P17252, Q02156]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	Q02156	6.3979400086720375	6.3979400086720375	0.0	Same Family
[P17252, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	6.036212172654444	6.180456064458132	0.14424389180368724	Same Family
[P17252, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	5.657577319177793	5.886056647693163	0.22847932851536967	Same Family
[P17252, Q02156]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	Q02156	6.443697499232713	6.221848749616356	0.22184874961635703	Same Family
[P17252, Q02156]	CN(C)CCCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	Q02156	5.651305809734459	5.408378961786681	0.24292684794777752	Same Family
[P17252, Q02156]	CN(C)CCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	Q02156	6.136677139879544	5.231657941355467	0.9050191985240774	Same Family
[P17252, Q02156]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)Cl	P17252	Q02156	6.253365801062421	5.584192272364457	0.6691735286979643	Same Family
[P17252, Q02156]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P17252	Q02156	6.337242168318426	5.461426266193144	0.8758159021252814	Same Family
[P17252, Q02156]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P17252	Q02156	6.698970004336019	7.301029995663981	0.6020599913279625	Same Family
[P17252, Q02156]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	Q02156	6.619788758288394	5.958607314841775	0.661181443446619	Same Family
[P17252, Q02156]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	6.6020599913279625	6.769551078621726	0.16749108729376339	Same Family
[P17252, Q02156]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	Q02156	6.346787486224656	5.698970004336019	0.6478174818886373	Same Family
[P17252, Q02156]	Cc1cccc(c1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN(C)C	P17252	Q02156	6.138465589140962	5.461551948289783	0.6769136408511791	Same Family
[P17252, Q02156]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q02156	4.958607314841775	5.327902142064283	0.3692948272225083	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P17252	Q02156	5.42021640338319	5.026872146400302	0.3933442569828882	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P17252	Q02156	6.3979400086720375	6.3979400086720375	0.0	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P17252	Q02156	6.522878745280337	6.045757490560675	0.4771212547196626	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P17252	Q02156	5.221848749616356	5.3979400086720375	0.17609125905568135	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P17252	Q02156	6.096910013008056	6.522878745280337	0.42596873227228116	Same Family
[P17252, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P17252	Q02156	6.522878745280337	6.0	0.5228787452803374	Same Family
[P17252, Q02156]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P17252	Q02156	5.443697499232713	5.42021640338319	0.023481095849523292	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P17252	Q02156	7.698970004336019	7.522878745280337	0.17609125905568135	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	P17252	Q02156	7.548455006504028	6.690453334686628	0.8580016718173997	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P17252	Q02156	7.698970004336019	8.0	0.30102999566398125	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P17252	Q02156	7.349485002168009	6.911954370472159	0.43753063169585005	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	7.3979400086720375	7.301029995663981	0.09691001300805624	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)NS(=O)(=O)C(F)(F)F	P17252	Q02156	7.0	6.508638306165727	0.4913616938342731	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	P17252	Q02156	6.468521082957745	5.698970004336019	0.7695510786217259	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	6.568636235841013	6.552841968657781	0.015794267183232513	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	5.173925197299174	4.795880017344075	0.378045179955099	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	5.017728766960432	4.346787486224656	0.670941280735776	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	5.481486060122113	5.229147988357856	0.2523380717642567	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	5.292429823902063	5.7447274948966935	0.45229767099463025	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	Q02156	7.657577319177793	8.0	0.3424226808222066	Same Family
[P17252, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P17252	Q02156	4.769551078621726	4.6020599913279625	0.16749108729376339	Same Family
[P17252, Q02156]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	P17252	Q02156	6.087246696328677	6.394694953858891	0.307448257530214	Same Family
[P17252, Q02156]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	Q02156	5.200659450546418	4.2441251443275085	0.9565343062189093	Same Family
[P17252, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN5CCCCC5	P17252	Q02156	6.139063379299906	5.465339424171556	0.6737239551283505	Same Family
[P17252, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P17252	Q02156	5.790484985457369	5.199145508496439	0.5913394769609299	Same Family
[P17252, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCSC(=N)N	P17252	Q02156	7.568636235841013	7.236572006437063	0.33206422940395	Same Family
[P17252, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P17252	Q02156	6.480172006224281	5.551757587365561	0.9284144188587202	Same Family
[P17252, Q02156]	c1ccc2c(c1)CC(C2OC(=O)c3cc(c(c(c3)O)C(=O)c4c(cccc4O)C(=O)O)O)NC(=O)c5ccc(cc5)O	P17252	Q02156	7.154901959985743	6.318758762624412	0.8361431973613307	Same Family
[P17252, Q02156]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P17252	Q02156	5.796151536253765	5.124013228571512	0.6721383076822534	Same Family
[P17252, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P17252	Q02156	5.455931955649724	5.42021640338319	0.035715552266534445	Same Family
[P17252, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P17252	Q02156	6.142667503568732	4.102372908709558	2.0402945948591737	Same Family
[P17252, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P17252	Q02156	6.112945621949043	8.096910013008056	1.983964391059013	Same Family
[P17252, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P17252	Q02156	6.363512103646634	8.154901959985743	1.7913898563391086	Same Family
[P17252, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P17252	Q02156	6.1700533040583645	7.886056647693163	1.7160033436347986	Same Family
[P17252, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P17252	Q02156	6.045757490560675	8.301029995663981	2.2552725051033065	Same Family
[P17252, P24723]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	6.886056647693163	7.853871964321762	0.9678153166285988	Same Family
[P17252, P24723]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	6.795880017344075	8.397940008672037	1.6020599913279625	Same Family
[P17252, P24723]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P24723	5.221848749616356	5.096910013008056	0.1249387366082999	Same Family
[P17252, P24723]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	P17252	P24723	6.422508200162775	7.221848749616356	0.7993405494535812	Same Family
[P17252, P24723]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	P24723	6.014573525916998	8.045757490560675	2.0311839646436765	Same Family
[P17252, P24723]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	4.721246399047171	7.301029995663981	2.57978359661681	Same Family
[P17252, P24723]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P24723	6.468521082957745	6.886056647693163	0.4175355647354184	Same Family
[P17252, P24723]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	5.327902142064283	6.585026652029182	1.2571245099648989	Same Family
[P17252, P24723]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	P24723	6.081445469449727	8.698970004336019	2.617524534886292	Same Family
[P17252, P24723]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	5.508638306165727	7.3979400086720375	1.8893017025063106	Same Family
[P17252, P24723]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P17252	P24723	6.3979400086720375	7.3979400086720375	1.0	Same Family
[P17252, P24723]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	6.036212172654444	7.2839966563652006	1.2477844837107561	Same Family
[P17252, P24723]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	5.657577319177793	7.698970004336019	2.0413926851582254	Same Family
[P17252, P24723]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	P24723	6.443697499232713	7.2839966563652006	0.8402991571324874	Same Family
[P17252, P24723]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P17252	P24723	6.698970004336019	7.3979400086720375	0.6989700043360187	Same Family
[P17252, P24723]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	P24723	5.7447274948966935	5.698970004336019	0.045757490560674796	Same Family
[P17252, P24723]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P17252	P24723	6.619788758288394	7.508638306165727	0.8888495478773333	Same Family
[P17252, P24723]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P17252	P24723	6.6020599913279625	7.795880017344075	1.1938200260161125	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P17252	P24723	5.42021640338319	7.376750709602099	1.9565343062189093	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P17252	P24723	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P17252	P24723	6.522878745280337	7.301029995663981	0.7781512503836439	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P17252	P24723	5.221848749616356	6.301029995663981	1.079181246047625	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P17252	P24723	6.096910013008056	6.3979400086720375	0.30102999566398125	Same Family
[P17252, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P17252	P24723	6.522878745280337	6.698970004336019	0.17609125905568135	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P17252	P24723	7.698970004336019	8.522878745280337	0.8239087409443187	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P17252	P24723	7.698970004336019	8.698970004336019	1.0	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P17252	P24723	7.349485002168009	8.460409376976187	1.110924374808178	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	7.3979400086720375	9.221848749616356	1.8239087409443187	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	6.568636235841013	7.221848749616356	0.6532125137753431	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	5.173925197299174	8.0	2.826074802700826	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	5.017728766960432	6.080921907623926	1.0631931406634942	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	5.481486060122113	7.0	1.518513939877887	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	5.292429823902063	7.096910013008056	1.804480189105993	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P17252	P24723	7.657577319177793	8.397940008672037	0.7403626894942441	Same Family
[P17252, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P17252	P24723	4.769551078621726	7.301029995663981	2.5314789170422554	Same Family
[P17252, P24723]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	P17252	P24723	6.087246696328677	6.3448615651886175	0.25761486885994067	Same Family
[P17252, P24723]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P17252	P24723	5.200659450546418	5.6020599913279625	0.40140054078154463	Same Family
[P17252, P24723]	c1ccc2c(c1)CC(C2NC(=O)c3ccc(cc3)O)OC(=O)c4cc(c(c(c4)O)C(=O)c5c(cccc5O)C(=O)O)O	P17252	P24723	6.66674100972256	4.455931955649724	2.2108090540728353	Same Family
[P17252, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P17252	P24723	5.958607314841775	6.619788758288394	0.661181443446619	Same Family
[P17252, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P17252	P24723	5.455931955649724	6.455931955649724	1.0	Same Family
[P17252, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P17252	P24723	5.455931955649724	5.769551078621726	0.31361912297200156	Same Family
[P17252, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P17252	P24723	6.142667503568732	6.522878745280337	0.3802112417116055	Same Family
[P17252, P24723]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P17252	P24723	6.112945621949043	7.886056647693163	1.7731110257441198	Same Family
[P17252, P24723]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P17252	P24723	6.363512103646634	8.397940008672037	2.034427905025403	Same Family
[P17252, P24723]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P17252	P24723	6.1700533040583645	8.0	1.8299466959416355	Same Family
[P17252, P24723]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P17252	P24723	6.045757490560675	8.301029995663981	2.2552725051033065	Same Family
[P17252, Q04759]	CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)OC)O)C	P17252	Q04759	4.343901797987168	4.5003129173815966	0.15641111939442887	Same Family
[P17252, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	P17252	Q04759	6.422508200162775	6.304518323509803	0.11798987665297211	Same Family
[P17252, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q04759	6.014573525916998	6.85078088734462	0.836207361427622	Same Family
[P17252, Q04759]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P17252	Q04759	6.081445469449727	7.259637310505756	1.1781918410560293	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(C)C)NC4CNC4	P17252	Q04759	5.657577319177793	6.886056647693163	1.2284793285153697	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)CC4CNC4	P17252	Q04759	5.795880017344075	7.229147988357856	1.4332679710137812	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4(CNC4)C	P17252	Q04759	5.769551078621726	7.638272163982407	1.868721085360681	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P17252	Q04759	5.510807163199087	6.992859712983584	1.4820525497844974	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)OC4CNC4	P17252	Q04759	5.522878745280337	6.721246399047171	1.1983676537668337	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)F)NC4CNC4	P17252	Q04759	5.161150909262744	7.0	1.8388490907372557	Same Family
[P17252, Q04759]	CC1C(=O)NN=C2N1c3cc(ccc3OC2)NC4CNC4	P17252	Q04759	5.026872146400302	6.638272163982407	1.6114000175821053	Same Family
[P17252, Q04759]	CC1CN(CCC1c2cc3c(cc2c4ccc(cc4F)OC)OCC5=NNC(=O)C(N35)C)C	P17252	Q04759	6.346787486224656	8.698970004336019	2.3521825181113627	Same Family
[P17252, Q04759]	CC1CN(CCC1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)C(N35)C)C	P17252	Q04759	6.508638306165727	8.159379381312206	1.6507410751464793	Same Family
[P17252, Q04759]	CCC1C(=O)NN=C2N1c3cc(ccc3OC2)NC4CNC4	P17252	Q04759	5.267606240177032	6.0	0.7323937598229682	Same Family
[P17252, Q04759]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P17252	Q04759	5.173925197299174	5.443697499232713	0.2697723019335392	Same Family
[P17252, Q04759]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P17252	Q04759	5.400841570820888	6.875726672773677	1.4748851019527889	Same Family
[P17252, Q04759]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P17252	Q04759	7.275724130399211	6.638272163982407	0.6374519664168039	Same Family
[P17252, Q04759]	c1cc(ncc1C#N)N2CCC(C(C2)F)Nc3c4cc[nH]c4ncc3C(=O)N	P17252	Q04759	6.886056647693163	6.494850021680094	0.3912066260130693	Same Family
[P17252, Q04759]	c1cc2c(cc1NC3CNC3)N4CC(=O)NN=C4CO2	P17252	Q04759	5.1487416512809245	5.886056647693163	0.7373149964122385	Same Family
[P17252, Q04759]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P17252	Q04759	7.0655015487564325	7.187086643357144	0.12158509460071176	Same Family
[P17252, Q04759]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P17252	Q04759	6.171984935776023	6.078313524516398	0.09367141125962508	Same Family
[P17252, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P17252	Q04759	6.112945621949043	6.87942606879415	0.7664804468451072	Same Family
[P17252, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P17252	Q04759	6.363512103646634	7.113509274827518	0.7499971711808833	Same Family
[P17252, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P17252	Q04759	6.1700533040583645	7.013228265733755	0.8431749616753903	Same Family
[P17252, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P17252	Q04759	6.045757490560675	7.113509274827518	1.067751784266843	Same Family
[O14965, P17252]	COc1ccc(cc1)CNC(=O)Nc2nc3ccc(cc3s2)c4[nH]nnn4	P17252	O14965	1.6161846340195687	2.318758762624413	0.7025741286048441	Different Group
[O14965, P17252]	Cc1nc2cnc3c(c2n1C4CCCCC4)cc[nH]3	P17252	O14965	5.886056647693163	6.1938200260161125	0.3077633783229494	Different Group
[O14965, P17252]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P17252	O14965	5.585026652029182	6.468521082957745	0.8834944309285628	Different Group
[O14965, P17252]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P17252	O14965	5.886056647693163	6.886056647693163	1.0	Different Group
[O14965, P17252]	c1c[nH]c2c1c3c(cn2)nc(n3C4CCCCC4)C(F)(F)F	P17252	O14965	5.769551078621726	5.366531544420414	0.4030195342013121	Different Group
[O14965, P17252]	c1c[nH]c2c1c3c(cn2)ncn3C4CCCCC4	P17252	O14965	5.769551078621726	6.130768280269024	0.36121720164729787	Different Group
[O14965, P17252]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P17252	O14965	5.552841968657781	6.2441251443275085	0.691283175669728	Different Group
[O14965, P17252]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P17252	O14965	4.7447274948966935	4.815308569182402	0.07058107428570803	Different Group
[O14965, P17252]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P17252	O14965	7.275724130399211	5.508638306165727	1.767085824233484	Different Group
[O14965, P17252]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P17252	O14965	4.5718652059712115	5.872895201635193	1.3010299956639813	Different Group
[P05771, Q05655]	CC(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	6.376750709602099	5.318758762624412	1.0579919469776868	Same Family
[P05771, Q05655]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.619788758288394	7.698970004336019	0.07918124604762511	Same Family
[P05771, Q05655]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	8.0	7.698970004336019	0.30102999566398125	Same Family
[P05771, Q05655]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	P05771	6.522878745280337	5.6020599913279625	0.9208187539523749	Same Family
[P05771, Q05655]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	P05771	5.698970004336019	5.040958607678906	0.6580113966571126	Same Family
[P05771, Q05655]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P05771	5.154901959985743	6.8979400086720375	1.7430380486862944	Same Family
[P05771, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	P05771	7.356547323513813	6.025949097207123	1.33059822630669	Same Family
[P05771, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q05655	P05771	6.906578314837765	6.017276612331455	0.8893017025063106	Same Family
[P05771, Q05655]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	6.698970004336019	4.698970004336019	2.0	Same Family
[P05771, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P05771	6.013228265733755	7.6531365255381765	1.6399082598044217	Same Family
[P05771, Q05655]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.301029995663981	6.356547323513812	0.9444826721501691	Same Family
[P05771, Q05655]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	P05771	8.096910013008056	6.422508200162775	1.6744018128452813	Same Family
[P05771, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q05655	P05771	6.327902142064283	5.823908740944319	0.5039934011199643	Same Family
[P05771, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	Q05655	P05771	6.481486060122113	7.060480747381382	0.5789946872592688	Same Family
[P05771, Q05655]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.096910013008056	5.657577319177793	1.4393326938302629	Same Family
[P05771, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P05771	6.522878745280337	8.0	1.4771212547196626	Same Family
[P05771, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.173925197299173	5.795880017344075	1.3780451799550981	Same Family
[P05771, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.301029995663981	6.0	1.3010299956639813	Same Family
[P05771, Q05655]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q05655	P05771	7.853871964321762	7.721246399047171	0.13262556527459068	Same Family
[P05771, Q05655]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	P05771	6.6020599913279625	8.25963296001283	1.6575729686848675	Same Family
[P05771, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05655	P05771	6.3979400086720375	7.849485002168009	1.4515449934959719	Same Family
[P05771, Q05655]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P05771	5.552841968657781	7.5713337517843655	2.018491783126585	Same Family
[P05771, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	P05771	6.769551078621726	8.301029995663981	1.5314789170422554	Same Family
[P05771, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)O	Q05655	P05771	7.301029995663981	7.022878745280337	0.27815125038364386	Same Family
[P05771, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)O	Q05655	P05771	7.0	6.780333653084869	0.21966634691513143	Same Family
[P05771, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.7447274948966935	6.537602002101044	1.2071254927956492	Same Family
[P05771, Q05655]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P05771	7.522878745280337	6.823908740944319	0.6989700043360187	Same Family
[P05771, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q05655	P05771	7.292429823902063	4.657577319177793	2.63485250472427	Same Family
[P05771, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q05655	P05771	6.886056647693163	4.657577319177793	2.2284793285153697	Same Family
[P05771, Q05655]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	Q05655	P05771	6.1249387366083	6.2839966563652006	0.15905791975690065	Same Family
[P05771, Q05655]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	P05771	6.886056647693163	5.455931955649724	1.4301246920434387	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	Q05655	P05771	5.376750709602099	7.6386830387330935	2.2619323291309943	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05655	P05771	6.3979400086720375	7.849485002168009	1.4515449934959719	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05655	P05771	6.3979400086720375	7.761439372640169	1.3634993639681312	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	Q05655	P05771	5.221848749616356	7.411954370472159	2.190105620855803	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05655	P05771	6.0	7.522878745280337	1.5228787452803374	Same Family
[P05771, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05655	P05771	6.3979400086720375	7.522878745280337	1.1249387366083	Same Family
[P05771, Q05655]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	P05771	7.045757490560675	5.886056647693163	1.1597008428675117	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05655	P05771	7.9604093769761874	8.34948500216801	0.3890756251918219	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05655	P05771	8.301029995663981	8.548455006504028	0.24742501084004687	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05655	P05771	8.261439372640169	7.849485002168009	0.4119543704721593	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Cc4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.911954370472159	8.206596252762797	0.29464188229063737	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	9.022878745280337	7.349485002168009	1.673393743112328	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)NC(=O)C(F)(F)F	Q05655	P05771	5.356547323513812	4.337242168318426	1.0193051551953864	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	Q05655	P05771	7.698970004336019	6.537602002101044	1.1613680022349744	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3Oc4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.698970004336019	7.698970004336019	0.0	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.045757490560675	6.512054431799104	0.5337030587615708	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.045757490560675	5.541773025725037	1.5039844648356375	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	5.3979400086720375	5.363847077798956	0.03409293087308107	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.045757490560675	5.520002580835792	1.525754909724883	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	7.301029995663981	5.492739730621038	1.8082902650429435	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3Cc4ccc(cc4)O)O)C(=O)O	Q05655	P05771	8.301029995663981	7.761439372640169	0.5395906230238126	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P05771	8.301029995663981	7.750345712914612	0.5506842827493692	Same Family
[P05771, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	Q05655	P05771	6.508638306165727	4.657577319177793	1.8510609869879335	Same Family
[P05771, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P05771	5.107905397309519	6.49506218314392	1.3871567858344012	Same Family
[P05771, Q05655]	c1ccc(cc1)S(=O)(=O)NCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P05771	6.055517327849832	7.06304920106777	1.0075318732179381	Same Family
[P05771, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	Q05655	P05771	5.585026652029182	7.400122411373262	1.8150957593440804	Same Family
[P05771, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05655	P05771	5.481486060122113	7.1386830387330935	1.6571969786109806	Same Family
[P05771, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	Q05655	P05771	5.698970004336019	7.365010161677338	1.6660401573413193	Same Family
[P05771, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05655	P05771	6.161150909262744	7.394789710072473	1.2336388008097288	Same Family
[P05771, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q05655	P05771	6.669586226650809	6.062983892535186	0.6066023341156228	Same Family
[P05771, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q05655	P05771	7.200659450546419	6.179798540514359	1.0208609100320594	Same Family
[P05771, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q05655	P05771	7.508638306165727	6.08460016478773	1.4240381413779968	Same Family
[P05771, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q05655	P05771	7.275724130399211	6.108462542327436	1.1672615880717752	Same Family
[P05771, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q05655	P05771	7.698970004336019	6.066006836168758	1.6329631681672607	Same Family
[Q05513, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	Q05513	6.013228265733755	5.031517051446065	0.9817112142876896	Same Family
[Q05513, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q05655	Q05513	6.327902142064283	4.481486060122113	1.84641608194217	Same Family
[Q05513, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	Q05655	Q05513	6.481486060122113	5.070581074285707	1.4109049858364058	Same Family
[Q05513, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	Q05513	6.522878745280337	5.154901959985743	1.3679767852945943	Same Family
[Q05513, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05655	Q05513	6.3979400086720375	5.301029995663981	1.0969100130080562	Same Family
[Q05513, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	Q05513	6.769551078621726	4.657577319177793	2.1119737594439325	Same Family
[Q05513, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05655	Q05513	6.3979400086720375	5.3979400086720375	1.0	Same Family
[Q05513, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05655	Q05513	6.3979400086720375	5.045757490560675	1.3521825181113627	Same Family
[Q05513, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05655	Q05513	6.0	5.096910013008056	0.9030899869919438	Same Family
[Q05513, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05655	Q05513	6.3979400086720375	5.3979400086720375	1.0	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05655	Q05513	7.9604093769761874	5.530740137411754	2.4296692395644337	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	Q05655	Q05513	8.048455006504028	4.4387282379656225	3.6097267685384056	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05655	Q05513	8.301029995663981	5.920818753952375	2.3802112417116064	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05655	Q05513	8.261439372640169	4.849485002168009	3.4119543704721593	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q05513	9.022878745280337	4.657577319177793	4.365301426102544	Same Family
[Q05513, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q05513	7.045757490560675	3.9172146296835497	3.128542860877125	Same Family
[Q05513, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	Q05513	5.107905397309519	4.267606240177032	0.8402991571324874	Same Family
[Q05513, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	Q05655	Q05513	5.585026652029182	4.356547323513813	1.2284793285153688	Same Family
[Q05513, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05655	Q05513	5.481486060122113	4.259637310505756	1.221848749616357	Same Family
[Q05513, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05655	Q05513	6.161150909262744	5.060480747381382	1.1006701618813626	Same Family
[Q02156, Q05655]	CC(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	6.376750709602099	4.494850021680094	1.8819006879220055	Same Family
[Q02156, Q05655]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.619788758288394	6.886056647693163	0.7337321105952306	Same Family
[Q02156, Q05655]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	8.0	7.468521082957745	0.5314789170422554	Same Family
[Q02156, Q05655]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	Q02156	6.522878745280337	6.1938200260161125	0.3290587192642249	Same Family
[Q02156, Q05655]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	Q02156	5.698970004336019	5.5376020021010435	0.16136800223497527	Same Family
[Q02156, Q05655]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	Q02156	5.154901959985743	5.221848749616356	0.06694678963061307	Same Family
[Q02156, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	Q05655	Q02156	6.531652669587842	6.8326826652518236	0.30102999566398125	Same Family
[Q02156, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	Q02156	7.356547323513813	7.7447274948966935	0.3881801713828805	Same Family
[Q02156, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	Q05655	Q02156	6.655607726314889	7.327902142064283	0.672294415749394	Same Family
[Q02156, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q05655	Q02156	6.906578314837765	7.2076083105017466	0.30102999566398125	Same Family
[Q02156, Q05655]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	6.698970004336019	5.494850021680094	1.204119982655925	Same Family
[Q02156, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	Q02156	6.013228265733755	6.4089353929735005	0.39570712723974566	Same Family
[Q02156, Q05655]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.301029995663981	4.886056647693163	2.414973347970818	Same Family
[Q02156, Q05655]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	Q02156	8.096910013008056	8.301029995663981	0.20411998265592501	Same Family
[Q02156, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q05655	Q02156	6.327902142064283	6.853871964321762	0.5259698222574789	Same Family
[Q02156, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	Q05655	Q02156	6.481486060122113	6.337242168318426	0.14424389180368724	Same Family
[Q02156, Q05655]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.096910013008056	5.431798275933005	1.6651117370750512	Same Family
[Q02156, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	Q02156	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[Q02156, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.173925197299173	6.180456064458132	0.9934691328410414	Same Family
[Q02156, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.301029995663981	5.886056647693163	1.4149733479708182	Same Family
[Q02156, Q05655]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q05655	Q02156	7.853871964321762	7.6777807052660805	0.17609125905568135	Same Family
[Q02156, Q05655]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	Q02156	6.6020599913279625	6.221848749616356	0.38021124171160636	Same Family
[Q02156, Q05655]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	Q05655	Q02156	7.494850021680094	8.221848749616356	0.7269987279362624	Same Family
[Q02156, Q05655]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	Q05655	Q02156	6.430626090384954	7.619788758288394	1.1891626679034397	Same Family
[Q02156, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05655	Q02156	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[Q02156, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	Q02156	6.769551078621726	5.958607314841775	0.8109437637799513	Same Family
[Q02156, Q05655]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	Q05655	Q02156	6.5951662833800615	7.102372908709558	0.5072066253294967	Same Family
[Q02156, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.7447274948966935	6.769551078621726	0.9751764162749677	Same Family
[Q02156, Q05655]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	Q02156	7.522878745280337	5.698970004336019	1.8239087409443187	Same Family
[Q02156, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q05655	Q02156	7.292429823902063	7.267606240177032	0.02482358372503146	Same Family
[Q02156, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q05655	Q02156	6.886056647693163	4.022276394711152	2.8637802529820107	Same Family
[Q02156, Q05655]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	Q05655	Q02156	6.413412695328245	6.876148359032914	0.46273566370466934	Same Family
[Q02156, Q05655]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	Q02156	6.886056647693163	5.327902142064283	1.5581545056288801	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	Q05655	Q02156	5.376750709602099	5.026872146400302	0.34987856320179755	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05655	Q02156	6.3979400086720375	6.3979400086720375	0.0	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05655	Q02156	6.3979400086720375	6.045757490560675	0.3521825181113627	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	Q05655	Q02156	5.221848749616356	5.3979400086720375	0.17609125905568135	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05655	Q02156	6.0	6.522878745280337	0.5228787452803374	Same Family
[Q02156, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05655	Q02156	6.3979400086720375	6.0	0.3979400086720375	Same Family
[Q02156, Q05655]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	Q05655	Q02156	7.045757490560675	5.42021640338319	1.625541087177485	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05655	Q02156	7.9604093769761874	7.522878745280337	0.43753063169585005	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	Q05655	Q02156	8.048455006504028	6.690453334686628	1.3580016718173997	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05655	Q02156	8.301029995663981	8.0	0.30102999566398125	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05655	Q02156	8.261439372640169	6.911954370472159	1.3494850021680094	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	9.022878745280337	7.301029995663981	1.7218487496163561	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	Q05655	Q02156	7.698970004336019	5.698970004336019	2.0	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	7.045757490560675	6.552841968657781	0.4929155219028942	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	7.045757490560675	4.795880017344075	2.2498774732166	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	5.3979400086720375	4.346787486224656	1.0511525224473814	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	7.045757490560675	5.229147988357856	1.8166095022028186	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	7.301029995663981	5.7447274948966935	1.5563025007672877	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	Q02156	8.301029995663981	8.0	0.30102999566398125	Same Family
[Q02156, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	Q05655	Q02156	6.508638306165727	4.6020599913279625	1.9065783148377644	Same Family
[Q02156, Q05655]	c1cc2c(cc[nH]c2=O)cc1OC3CCCNC3	Q05655	Q02156	6.499996931948306	6.399996913372259	0.10000001857604701	Same Family
[Q02156, Q05655]	c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3	Q05655	Q02156	4.600000074606178	4.70000006855703	0.0999999939508518	Same Family
[Q02156, Q05655]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	Q05655	Q02156	6.030584087646019	6.394694953858891	0.36411086621287225	Same Family
[Q02156, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	Q02156	5.107905397309519	4.2441251443275085	0.8637802529820107	Same Family
[Q02156, Q05655]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	Q05655	Q02156	5.214670164989233	5.214670164989233	0.0	Same Family
[Q02156, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05655	Q02156	5.481486060122113	5.42021640338319	0.06126965673892304	Same Family
[Q02156, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05655	Q02156	6.161150909262744	4.102372908709558	2.058778000553186	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(c2)NCCN	Q05655	Q02156	6.804100347590766	7.356547323513813	0.552446975923047	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q05655	Q02156	6.669586226650809	8.096910013008056	1.4273237863572472	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q05655	Q02156	7.200659450546419	8.154901959985743	0.9542425094393243	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q05655	Q02156	7.508638306165727	8.096910013008056	0.5882717068423293	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q05655	Q02156	7.275724130399211	7.886056647693163	0.6103325172939522	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q05655	Q02156	7.698970004336019	8.301029995663981	0.6020599913279625	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCO	Q05655	Q02156	6.197226274708024	7.0915149811213505	0.8942887064133265	Same Family
[Q02156, Q05655]	c1cnccc1c2cc3cnccc3c(n2)OCCN	Q05655	Q02156	6.153044674980176	6.920818753952375	0.7677740789721987	Same Family
[Q02156, Q05655]	c1cnccc1c2nc3cnccc3c(n2)NCCN	Q05655	Q02156	6.991399828238082	7.42021640338319	0.42881657514510785	Same Family
[P24723, Q05655]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.619788758288394	7.853871964321762	0.23408320603336819	Same Family
[P24723, Q05655]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	8.0	8.397940008672037	0.3979400086720375	Same Family
[P24723, Q05655]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P24723	5.154901959985743	5.096910013008056	0.05799194697768684	Same Family
[P24723, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	Q05655	P24723	6.531652669587842	7.221848749616356	0.6901960800285138	Same Family
[P24723, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	P24723	7.356547323513813	8.045757490560675	0.6892101670468618	Same Family
[P24723, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	Q05655	P24723	6.655607726314889	7.823908740944319	1.1683010146294297	Same Family
[P24723, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q05655	P24723	6.906578314837765	7.7447274948966935	0.8381491800589282	Same Family
[P24723, Q05655]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	6.698970004336019	7.301029995663981	0.6020599913279625	Same Family
[P24723, Q05655]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P24723	6.013228265733755	6.886056647693163	0.8728283819594083	Same Family
[P24723, Q05655]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.301029995663981	6.585026652029182	0.7160033436347994	Same Family
[P24723, Q05655]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	P24723	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[P24723, Q05655]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.096910013008056	7.3979400086720375	0.30102999566398125	Same Family
[P24723, Q05655]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05655	P24723	6.522878745280337	7.3979400086720375	0.8750612633917001	Same Family
[P24723, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.173925197299173	7.2839966563652006	0.11007145906602744	Same Family
[P24723, Q05655]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.301029995663981	7.698970004336019	0.3979400086720375	Same Family
[P24723, Q05655]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q05655	P24723	7.853871964321762	8.698970004336019	0.8450980400142569	Same Family
[P24723, Q05655]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	P24723	6.6020599913279625	7.2839966563652006	0.681936665037238	Same Family
[P24723, Q05655]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	Q05655	P24723	6.430626090384954	7.468521082957745	1.0378949925727907	Same Family
[P24723, Q05655]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05655	P24723	6.3979400086720375	7.3979400086720375	1.0	Same Family
[P24723, Q05655]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P24723	5.552841968657781	5.698970004336019	0.14612803567823818	Same Family
[P24723, Q05655]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05655	P24723	6.769551078621726	7.508638306165727	0.739087227544001	Same Family
[P24723, Q05655]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	Q05655	P24723	6.5951662833800615	7.031517051446065	0.4363507680660037	Same Family
[P24723, Q05655]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q05655	P24723	7.7447274948966935	7.795880017344075	0.05115252244738144	Same Family
[P24723, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q05655	P24723	7.292429823902063	6.346787486224656	0.9456423376774072	Same Family
[P24723, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q05655	P24723	6.886056647693163	3.4436974992327127	3.4423591484604503	Same Family
[P24723, Q05655]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	Q05655	P24723	6.413412695328245	7.2839966563652006	0.8705839610369557	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	Q05655	P24723	5.376750709602099	7.376750709602099	2.0	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05655	P24723	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05655	P24723	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	Q05655	P24723	5.221848749616356	6.301029995663981	1.079181246047625	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05655	P24723	6.0	6.3979400086720375	0.3979400086720375	Same Family
[P24723, Q05655]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05655	P24723	6.3979400086720375	6.698970004336019	0.30102999566398125	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05655	P24723	7.9604093769761874	8.522878745280337	0.56246936830415	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05655	P24723	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05655	P24723	8.261439372640169	8.460409376976187	0.19897000433601875	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	9.022878745280337	9.221848749616356	0.19897000433601875	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	7.045757490560675	7.221848749616356	0.17609125905568135	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	7.045757490560675	8.0	0.9542425094393252	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	5.3979400086720375	6.080921907623926	0.6829818989518888	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	7.045757490560675	7.0	0.045757490560674796	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	7.301029995663981	7.096910013008056	0.20411998265592501	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05655	P24723	8.301029995663981	8.397940008672037	0.09691001300805624	Same Family
[P24723, Q05655]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	Q05655	P24723	6.508638306165727	7.301029995663981	0.7923916894982543	Same Family
[P24723, Q05655]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	Q05655	P24723	6.030584087646019	6.3448615651886175	0.31427747754259894	Same Family
[P24723, Q05655]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P24723	5.107905397309519	5.6020599913279625	0.4941545940184433	Same Family
[P24723, Q05655]	c1ccc(cc1)S(=O)(=O)NCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05655	P24723	6.055517327849832	5.721246399047171	0.3342709288026606	Same Family
[P24723, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	Q05655	P24723	5.585026652029182	6.619788758288394	1.0347621062592118	Same Family
[P24723, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05655	P24723	5.481486060122113	6.455931955649724	0.9744458955276114	Same Family
[P24723, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	Q05655	P24723	5.698970004336019	5.769551078621726	0.07058107428570715	Same Family
[P24723, Q05655]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05655	P24723	6.161150909262744	6.522878745280337	0.36172783601759306	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(c2)NCCN	Q05655	P24723	6.804100347590766	7.267606240177032	0.46350589258626584	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q05655	P24723	6.669586226650809	7.886056647693163	1.216470421042354	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q05655	P24723	7.200659450546419	8.397940008672037	1.1972805581256187	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q05655	P24723	7.508638306165727	8.221848749616356	0.7132104434506292	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q05655	P24723	7.275724130399211	8.0	0.7242758696007892	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q05655	P24723	7.698970004336019	8.301029995663981	0.6020599913279625	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCO	Q05655	P24723	6.197226274708024	6.72584215073632	0.5286158760282964	Same Family
[P24723, Q05655]	c1cnccc1c2cc3cnccc3c(n2)OCCN	Q05655	P24723	6.153044674980176	7.086186147616283	0.9331414726361071	Same Family
[P24723, Q05655]	c1cnccc1c2nc3cnccc3c(n2)NCCN	Q05655	P24723	6.991399828238082	7.568636235841013	0.577236407602931	Same Family
[Q04759, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	Q05655	Q04759	6.531652669587842	6.304518323509803	0.2271343460780395	Same Family
[Q04759, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	Q04759	7.356547323513813	6.85078088734462	0.5057664361691927	Same Family
[Q04759, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	Q05655	Q04759	6.655607726314889	7.031517051446065	0.37590932513117625	Same Family
[Q04759, Q05655]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q05655	Q04759	6.906578314837765	6.853871964321762	0.052706350516003475	Same Family
[Q04759, Q05655]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q05655	Q04759	8.096910013008056	7.259637310505756	0.8372727025023003	Same Family
[Q04759, Q05655]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q05655	Q04759	6.327902142064283	6.992859712983584	0.6649575709193014	Same Family
[Q04759, Q05655]	CCN(CC)Cc1ccc(o1)c2cncc(c2Nc3ccc4c(c3C)cc[nH]4)C#N	Q05655	Q04759	6.721246399047171	7.376750709602099	0.6555043105549281	Same Family
[Q04759, Q05655]	CCOc1ccc(cc1c2cc3c(c(cnc3s2)C#N)Nc4ccc5c(c4C)cc[nH]5)CN(C)C	Q05655	Q04759	7.086186147616283	8.036212172654444	0.9500260250381611	Same Family
[Q04759, Q05655]	CCc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(c(c4)OC)OC)C#N	Q05655	Q04759	6.008773924307505	7.259637310505756	1.250863386198251	Same Family
[Q04759, Q05655]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q05655	Q04759	7.853871964321762	8.698970004336019	0.8450980400142569	Same Family
[Q04759, Q05655]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	Q05655	Q04759	6.430626090384954	6.455931955649724	0.02530586526477041	Same Family
[Q04759, Q05655]	CN(c1ccc2c(c1)cc[nH]2)c3c(cncc3c4ccc(c(c4)OC)OC)C#N	Q05655	Q04759	5.6777807052660805	6.568636235841013	0.8908555305749326	Same Family
[Q04759, Q05655]	CN1CCN(CC1)CCOc2ccc(cc2)c3cncc(c3Nc4ccc5c(c4)cc[nH]5)C#N	Q05655	Q04759	6.795880017344075	7.136677139879544	0.3407971225354691	Same Family
[Q04759, Q05655]	CN1CCN(CC1)CCOc2ccc(cc2)c3cncc(c3Nc4cccc5c4cc[nH]5)C#N	Q05655	Q04759	7.3872161432802645	7.853871964321762	0.4666558210414973	Same Family
[Q04759, Q05655]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	Q05655	Q04759	6.5951662833800615	6.001304841688344	0.5938614416917174	Same Family
[Q04759, Q05655]	COc1ccc(cc1OC)c2cncc(c2Nc3ccc4c(c3)cc[nH]4)C#N	Q05655	Q04759	6.455931955649724	7.154901959985743	0.6989700043360187	Same Family
[Q04759, Q05655]	COc1ccc(cc1OC)c2cncc(c2Nc3ccc4c(c3F)cc[nH]4)C#N	Q05655	Q04759	7.161150909262744	8.275724130399212	1.1145732211364674	Same Family
[Q04759, Q05655]	COc1ccc(cc1OC)c2cncc(c2Nc3ccc4c(c3OC)cc[nH]4)C#N	Q05655	Q04759	6.455931955649724	7.97469413473523	1.5187621790855053	Same Family
[Q04759, Q05655]	COc1ccc(cc1OC)c2cncc(c2Nc3cccc4c3cc[nH]4)C#N	Q05655	Q04759	7.2076083105017466	7.886056647693163	0.6784483371914165	Same Family
[Q04759, Q05655]	Cc1c(ccc2c1C=CC2)Cc3c(cccc3c4cc(sc4)CN5CCN(CC5)C)C#C	Q05655	Q04759	8.013228265733755	8.309803919971486	0.29657565423773136	Same Family
[Q04759, Q05655]	Cc1c(ccc2c1C=CC2)Cc3c(cccc3c4ccc(o4)CN5CCN(CC5)C)C#C	Q05655	Q04759	7.346787486224656	8.346787486224656	1.0	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cc(oc4)CN5CCC(CC5)N(C)C)C#N	Q05655	Q04759	8.086186147616283	8.886056647693163	0.7998705000768798	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cc(oc4)CN5CCN(CC5)C(C)C)C#N	Q05655	Q04759	7.853871964321762	8.619788758288394	0.7659167939666318	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cc(oc4)CN5CCN(CC5)C)C#N	Q05655	Q04759	7.443697499232713	7.920818753952375	0.4771212547196617	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cc(oc4)CN5CCN(CC5)C6CCCC6)C#N	Q05655	Q04759	7.7447274948966935	8.455931955649724	0.7112044607530308	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(c(c4)OC)OC)C#N	Q05655	Q04759	7.0915149811213505	8.200659450546418	1.1091444694250674	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)CN(C)C)C#N	Q05655	Q04759	7.236572006437063	8.075720713938118	0.8391487075010549	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)CN5CCN(CC5)C)C#N	Q05655	Q04759	7.6020599913279625	8.301029995663981	0.6989700043360187	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)CN5CCOCC5)C#N	Q05655	Q04759	7.154901959985743	8.045757490560675	0.8908555305749317	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OC)C#N	Q05655	Q04759	7.070581074285707	8.2518119729938	1.1812308987080922	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCCN5CCN(CC5)C)C#N	Q05655	Q04759	6.958607314841775	7.721246399047171	0.7626390842053965	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCC(CC5)N6CCCC6)C#N	Q05655	Q04759	7.522878745280337	7.958607314841775	0.43572856956143724	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCCC5)C#N	Q05655	Q04759	7.552841968657781	8.346787486224656	0.7939455175668755	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q05655	Q04759	7.292429823902063	8.130768280269024	0.8383384563669605	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)CCO)C#N	Q05655	Q04759	7.5376020021010435	7.853871964321762	0.31626996222071835	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCOCC5)C#N	Q05655	Q04759	6.823908740944319	7.698970004336019	0.8750612633917001	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCNCCN(C)C)C#N	Q05655	Q04759	7.7447274948966935	8.229147988357855	0.4844204934611618	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(nc4)CN5CCN(CC5)C)C#N	Q05655	Q04759	6.6020599913279625	7.42021640338319	0.8181564120552274	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(o4)CN5CCCC5)C#N	Q05655	Q04759	6.522878745280337	7.455931955649724	0.9330532103693869	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(o4)CN5CCCCC5)C#N	Q05655	Q04759	6.4089353929735005	7.3872161432802645	0.9782807503067641	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(o4)CN5CCOCC5)C#N	Q05655	Q04759	7.0655015487564325	8.10790539730952	1.0424038485530867	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(o4)CN5CCSCC5)C#N	Q05655	Q04759	7.026872146400302	8.1249387366083	1.0980665902079982	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(s4)CN5CCN(CC5)C)C#N	Q05655	Q04759	7.301029995663981	8.214670164989233	0.9136401693252516	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cccc(c4)CN(C)C)C#N	Q05655	Q04759	7.6020599913279625	8.161150909262744	0.5590909179347818	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cccc(c4)CN5CCN(CC5)C)C#N	Q05655	Q04759	7.657577319177793	8.522878745280337	0.865301426102544	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cccc(c4)CN5CCOCC5)C#N	Q05655	Q04759	7.075720713938118	7.638272163982407	0.562551450044289	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4cccc(c4)OC)C#N	Q05655	Q04759	6.6777807052660805	7.443697499232713	0.7659167939666327	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccccc4)C#N	Q05655	Q04759	7.200659450546419	7.568636235841013	0.3679767852945943	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccccc4CN(C)C)C#N	Q05655	Q04759	5.619788758288394	6.698970004336019	1.079181246047625	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccccc4OC)C#N	Q05655	Q04759	6.468521082957745	7.086186147616283	0.6176650646585387	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q05655	Q04759	6.886056647693163	7.795880017344075	0.9098233696509119	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5OC)CN(C)C	Q05655	Q04759	7.619788758288394	8.060480747381382	0.4406919890929881	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(cnc5)CN(C)C	Q05655	Q04759	6.769551078621726	7.075720713938118	0.3061696353163921	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(sc5)CN(C)C	Q05655	Q04759	7.292429823902063	7.795880017344075	0.5034501934420117	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5ccc(cc5)CN(C)C	Q05655	Q04759	7.055517327849832	7.853871964321762	0.7983546364719301	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cccc(c5)CN(C)C	Q05655	Q04759	7.585026652029182	8.1249387366083	0.5399120845791181	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cccc(c5OC)CN(C)C	Q05655	Q04759	7.568636235841013	7.920818753952375	0.3521825181113618	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5ccccc5CN(C)C	Q05655	Q04759	6.42021640338319	7.031517051446065	0.6113006480628753	Same Family
[Q04759, Q05655]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5ccccc5OC	Q05655	Q04759	6.6020599913279625	7.638272163982407	1.0362121726544444	Same Family
[Q04759, Q05655]	Cc1c2ccn(c2ccc1Nc3c(cncc3c4ccc(c(c4)OC)OC)C#N)C	Q05655	Q04759	5.853871964321762	6.585026652029182	0.73115468770742	Same Family
[Q04759, Q05655]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	Q05655	Q04759	6.1249387366083	6.875726672773677	0.7507879361653771	Same Family
[Q04759, Q05655]	Cc1cc2c(cc[nH]2)cc1Nc3c(cncc3c4ccc(c(c4)OC)OC)C#N	Q05655	Q04759	6.552841968657781	7.978810700930062	1.4259687322722812	Same Family
[Q04759, Q05655]	Cc1cc2c(cc[nH]2)cc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q05655	Q04759	6.886056647693163	7.481486060122113	0.5954294124289499	Same Family
[Q04759, Q05655]	Cc1ccc(cc1c2cc3c(c(cnc3s2)C#N)Nc4ccc5c(c4C)cc[nH]5)CN(C)C	Q05655	Q04759	6.3872161432802645	7.0	0.6127838567197355	Same Family
[Q04759, Q05655]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	Q05655	Q04759	6.413412695328245	6.131943638176958	0.2814690571512868	Same Family
[Q04759, Q05655]	c1ccc(cc1)c2cc3c(c(cnc3s2)C#N)Nc4ccc5c(c4)cc[nH]5	Q05655	Q04759	6.431798275933005	7.2839966563652006	0.8521983804321955	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(c2)NCCN	Q05655	Q04759	6.804100347590766	6.449771646944906	0.3543287006458602	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q05655	Q04759	6.669586226650809	6.87942606879415	0.2098398421433414	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q05655	Q04759	7.200659450546419	7.113509274827518	0.08715017571890105	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q05655	Q04759	7.508638306165727	6.962573502059376	0.5460648041063507	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q05655	Q04759	7.275724130399211	7.013228265733755	0.26249586466545605	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q05655	Q04759	7.698970004336019	7.113509274827518	0.585460729508501	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)NCCO	Q05655	Q04759	6.197226274708024	6.129011186239425	0.06821508846859903	Same Family
[Q04759, Q05655]	c1cnccc1c2cc3cnccc3c(n2)OCCN	Q05655	Q04759	6.153044674980176	6.023191662661934	0.1298530123182422	Same Family
[P24941, P50613]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P24941	P50613	7.6020599913279625	7.6777807052660805	0.07572071393811797	Same Family
[P24941, P50613]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50613	6.20446769648675	5.6259059864969	0.5785617099898506	Same Family
[P24941, P50613]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50613	6.0598791120522595	5.556754637413759	0.5031244746385006	Same Family
[P24941, P50613]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50613	6.926935982160881	5.555349148746845	1.3715868334140362	Same Family
[P24941, P50613]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50613	7.284318117920506	6.093543321678572	1.190774796241934	Same Family
[P24941, P50613]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50613	6.808092317009784	5.891258027893047	0.9168342891167374	Same Family
[P24941, P50613]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P24941	P50613	6.479303657420887	6.096910013008056	0.3823936444128311	Same Family
[P24941, P50613]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P24941	P50613	6.657577319177793	6.221848749616356	0.43572856956143724	Same Family
[P24941, P50613]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P24941	P50613	7.3979400086720375	6.301029995663981	1.0969100130080562	Same Family
[P24941, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P24941	P50613	7.431798275933005	5.783834097714007	1.6479641782189978	Same Family
[P24941, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P24941	P50613	7.443697499232713	5.784626847216578	1.6590706520161351	Same Family
[P24941, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P24941	P50613	7.251811972993799	5.726767165956955	1.5250448070368448	Same Family
[P24941, P50613]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P50613	7.6020599913279625	5.846795099915716	1.7552648914122466	Same Family
[P24941, P50613]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P24941	P50613	6.154901959985743	6.522878745280337	0.3679767852945943	Same Family
[P24941, P50613]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P24941	P50613	5.769551078621726	6.275724130399211	0.506173051777485	Same Family
[P24941, P50613]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P50613	7.327902142064283	5.747632485540101	1.580269656524182	Same Family
[P24941, P50613]	Cc1cnc(nc1c2cnc(s2)Nc3ccccn3)OC4CCCCC4	P24941	P50613	6.568636235841013	6.721246399047171	0.15261016320615806	Same Family
[P24941, P50613]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P24941	P50613	7.853871964321762	7.698970004336019	0.15490195998574308	Same Family
[P06493, P24941]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P24941	P06493	7.6020599913279625	7.180456064458132	0.42160392686983084	Same Family
[P06493, P24941]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	P06493	6.039529222465701	5.7265357273786535	0.31299349508704744	Same Family
[P06493, P24941]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	P06493	6.774690718274138	7.026872146400302	0.25218142812616406	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P24941	P06493	8.460409376976187	8.397940008672037	0.06246936830414995	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	8.460409376976187	8.15051499783199	0.3098943791441968	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br	P24941	P06493	8.096910013008056	7.853871964321762	0.24303804868629442	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CCCC3)Br	P24941	P06493	7.6020599913279625	7.356547323513813	0.2455126678141495	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC3CC3)Br	P24941	P06493	8.397940008672037	8.301029995663981	0.09691001300805624	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CCO)Br	P24941	P06493	8.397940008672037	7.878480975656853	0.5194590330151847	Same Family
[P06493, P24941]	CC(C(C)(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P24941	P06493	7.309803919971486	6.795880017344075	0.5139239026274112	Same Family
[P06493, P24941]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P24941	P06493	8.008864383480216	7.770303756120384	0.2385606273598313	Same Family
[P06493, P24941]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F	P24941	P06493	7.6777807052660805	7.443697499232713	0.2340832060333673	Same Family
[P06493, P24941]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC#C)C(F)(F)F	P24941	P06493	7.366531544420414	7.086186147616283	0.2803453968041305	Same Family
[P06493, P24941]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CC=C)C(F)(F)F	P24941	P06493	7.958607314841775	7.366531544420414	0.5920757704213608	Same Family
[P06493, P24941]	CC(C(C)(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.958607314841775	7.721246399047171	0.2373609157946035	Same Family
[P06493, P24941]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br	P24941	P06493	8.460409376976187	8.610924374808178	0.15051499783199063	Same Family
[P06493, P24941]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=NC)(=O)C)Br	P24941	P06493	8.309894379144197	7.989405350465031	0.32048902867916595	Same Family
[P06493, P24941]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CCO)Br	P24941	P06493	8.299876484960812	8.41195437047216	0.11207788551134712	Same Family
[P06493, P24941]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NC)(=O)C)Br	P24941	P06493	8.154901959985743	7.853871964321762	0.30102999566398125	Same Family
[P06493, P24941]	CC(C(C)O)Nc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CC=O)Br	P24941	P06493	6.886056647693163	6.769551078621726	0.11650556907143717	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(c(c2)OC)S(=N)(=O)C)Br)O	P24941	P06493	8.096910013008056	8.301029995663981	0.20411998265592501	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P24941	P06493	8.0	7.886056647693163	0.11394335230683694	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=NS(=O)(=O)CC[Si](C)(C)C)(=O)CCO)Br)O	P24941	P06493	7.267606240177032	6.795880017344075	0.47172622283295684	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C(F)F)C(F)(F)F)O	P24941	P06493	7.920818753952375	7.619788758288394	0.30102999566398125	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P24941	P06493	8.247425010840047	8.221848749616356	0.02557626122369072	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P24941	P06493	8.008864383480216	7.946395015176066	0.06246936830414995	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CCCC3)C(F)(F)F)O	P24941	P06493	7.6777807052660805	7.638272163982407	0.03950854128367354	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)CCO)C(F)(F)F)O	P24941	P06493	8.522878745280337	8.522878745280337	0.0	Same Family
[P06493, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)c3ccccc3)C(F)(F)F)O	P24941	P06493	7.443697499232713	7.3872161432802645	0.05648135595244863	Same Family
[P06493, P24941]	CC(C(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P24941	P06493	8.096910013008056	7.769551078621726	0.32735893438633035	Same Family
[P06493, P24941]	CC(C(COC)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P24941	P06493	8.309894379144197	7.763621775341393	0.5462726038028034	Same Family
[P06493, P24941]	CC(C)(CSc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P24941	P06493	8.096910013008056	7.259637310505756	0.8372727025023003	Same Family
[P06493, P24941]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	P24941	P06493	8.133803120088515	8.221848749616356	0.08804562952784067	Same Family
[P06493, P24941]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P24941	P06493	7.305416957817734	8.397940008672037	1.0925230508543038	Same Family
[P06493, P24941]	CC(C)Nc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.795880017344075	6.958607314841775	0.8372727025023003	Same Family
[P06493, P24941]	CC(C)S(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)C(F)(F)F	P24941	P06493	8.221848749616356	7.920818753952375	0.30102999566398125	Same Family
[P06493, P24941]	CC(CO)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	8.397940008672037	7.7447274948966935	0.653212513775344	Same Family
[P06493, P24941]	CC(COC)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P24941	P06493	7.920818753952375	7.292429823902063	0.6283889300503116	Same Family
[P06493, P24941]	CC(CSc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br)O	P24941	P06493	7.3872161432802645	7.142667503568732	0.24454863971153262	Same Family
[P06493, P24941]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	P24941	P06493	8.468521082957745	9.0	0.5314789170422554	Same Family
[P06493, P24941]	CC1CN(CCN1)c2cccc3c2n(c(n3)c4c(ncc(n4)c5cccc(c5)C(=O)N(C)C)N)C	P24941	P06493	5.468521082957745	6.0	0.5314789170422554	Same Family
[P06493, P24941]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P06493	6.20446769648675	4.658026434624244	1.5464412618625065	Same Family
[P06493, P24941]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P06493	6.0598791120522595	4.678273661756906	1.3816054502953534	Same Family
[P06493, P24941]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P06493	6.926935982160881	5.28207781700778	1.6448581651531011	Same Family
[P06493, P24941]	CCC(C(C)(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.568636235841013	7.040958607678906	0.527677628162107	Same Family
[P06493, P24941]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P06493	7.284318117920506	5.48369061957464	1.8006274983458663	Same Family
[P06493, P24941]	CCC(C(C)O)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.7447274948966935	7.657577319177793	0.08715017571890016	Same Family
[P06493, P24941]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P06493	6.808092317009784	4.903437700822769	1.904654616187015	Same Family
[P06493, P24941]	CCC(C)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.481486060122113	7.013228265733755	0.46825779438835813	Same Family
[P06493, P24941]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P24941	P06493	6.479303657420887	5.616005210558267	0.8632984468626201	Same Family
[P06493, P24941]	CCC(CO)Sc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C)Br	P24941	P06493	7.795880017344075	7.309803919971486	0.48607609737258883	Same Family
[P06493, P24941]	CCN(CC)c1cc(n2c(n1)ncn2)Nc3ccc(cc3)S(=O)(=O)N	P24941	P06493	6.3979400086720375	5.468521082957745	0.9294189257142929	Same Family
[P06493, P24941]	CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P24941	P06493	7.2076083105017466	6.33161408331	0.8759942271917467	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P24941	P06493	8.045757490560675	7.568636235841013	0.4771212547196617	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P24941	P06493	7.920818753952375	7.795880017344075	0.1249387366082999	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P24941	P06493	7.552841968657781	6.958607314841775	0.5942346538160059	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P24941	P06493	7.853871964321762	7.6777807052660805	0.17609125905568135	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P24941	P06493	7.318758762624412	7.200659450546419	0.11809931207799362	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(C)c1ccc(cc1C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P24941	P06493	7.107905397309519	7.1249387366083	0.017033339298780703	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P24941	P06493	7.376750709602099	7.017728766960432	0.3590219426416672	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P24941	P06493	7.958607314841775	7.366531544420414	0.5920757704213608	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P24941	P06493	7.292429823902063	6.698970004336019	0.5934598195660445	Same Family
[P06493, P24941]	CCOC(=O)N=S(=O)(CC)c1ccc(cc1)Nc2ncc(c(n2)OC(C)C(C)O)Br	P24941	P06493	7.721246399047171	7.309803919971486	0.411442479075685	Same Family
[P06493, P24941]	CCOc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)CC)Br	P24941	P06493	7.200659450546419	6.698970004336019	0.5016894462104	Same Family
[P06493, P24941]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P24941	P06493	7.829818329931128	7.537062862175492	0.29275546775563654	Same Family
[P06493, P24941]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(C)C(C)O)Br	P24941	P06493	8.397940008672037	8.129818655252878	0.26812135341915955	Same Family
[P06493, P24941]	CCS(=N)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC(COC)C(C)O)Br	P24941	P06493	8.100329725273209	7.658778693934068	0.44155103133914064	Same Family
[P06493, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)C(=O)N(C)CCN	P24941	P06493	5.327902142064283	4.8297382846050425	0.4981638574592404	Same Family
[P06493, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)CN5CC(C5)O	P24941	P06493	4.853871964321762	4.920818753952375	0.06694678963061307	Same Family
[P06493, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCC(CC5)CCO	P24941	P06493	5.5376020021010435	5.327902142064283	0.20969986003676055	Same Family
[P06493, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCCNCC5	P24941	P06493	5.096910013008056	4.853871964321762	0.24303804868629442	Same Family
[P06493, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	P24941	P06493	4.119186407719209	3.9469215565165805	0.17226485120262813	Same Family
[P06493, P24941]	CN(C)C(=O)c1cccc(c1)c2cc(c(nc2)N)c3[nH]c4c(n3)cccc4N5CCNCC5	P24941	P06493	5.3979400086720375	6.0	0.6020599913279625	Same Family
[P06493, P24941]	CN(C)C(=O)c1cccc(c1)c2cc(c(nc2)N)c3[nH]c4ccccc4n3	P24941	P06493	5.2441251443275085	6.0	0.7558748556724915	Same Family
[P06493, P24941]	CN(C)C(=O)c1cccc(c1)c2cnc(c(n2)c3[nH]c4c(n3)cccc4N5CCNCC5)N	P24941	P06493	4.958607314841775	5.769551078621726	0.8109437637799513	Same Family
[P06493, P24941]	CN(C)C1CCN(CC1)c2ccc(nc2)Nc3ncc4cc(n(c4n3)C5CCCC5)C#N	P24941	P06493	5.080921907623926	5.585026652029182	0.5041047444052555	Same Family
[P06493, P24941]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P24941	P06493	6.920818753952375	5.251811972993799	1.6690067809585756	Same Family
[P06493, P24941]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	P24941	P06493	6.769551078621726	7.522878745280337	0.7533276666586115	Same Family
[P06493, P24941]	CN1CCN(CC1)CCC(=O)NS(=O)(=O)c2ccc(cc2)Nc3nc(n(n3)C(=O)c4c(cccc4F)F)N	P24941	P06493	6.575118363368933	5.872895201635193	0.7022231617337402	Same Family
[P06493, P24941]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P24941	P06493	5.928117992693875	5.948847477552619	0.020729484858743596	Same Family
[P06493, P24941]	COCCOCC(=O)NS(=O)(=O)c1ccc(cc1)Nc2nc(n(n2)C(=O)c3c(cccc3F)F)N	P24941	P06493	6.607303046740334	5.779891911959945	0.8274111347803892	Same Family
[P06493, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P24941	P06493	7.431798275933005	6.243363891754152	1.1884343841788532	Same Family
[P06493, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P24941	P06493	7.443697499232713	6.244887733604929	1.198809765627784	Same Family
[P06493, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P24941	P06493	7.251811972993799	6.214670164989233	1.0371418080045665	Same Family
[P06493, P24941]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P06493	7.6020599913279625	6.282329496997738	1.3197304943302246	Same Family
[P06493, P24941]	COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2	P24941	P06493	7.657577319177793	7.3979400086720375	0.2596373105057559	Same Family
[P06493, P24941]	CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncn3)NC4CCC(CC4)N	P24941	P06493	6.6020599913279625	4.795880017344075	1.8061799739838875	Same Family
[P06493, P24941]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC#C)C(F)(F)F	P24941	P06493	7.6020599913279625	6.886056647693163	0.7160033436347994	Same Family
[P06493, P24941]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCC=C)C(F)(F)F	P24941	P06493	7.309803919971486	6.552841968657781	0.7569619513137056	Same Family
[P06493, P24941]	CS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)OCCC(F)(F)F)C(F)(F)F	P24941	P06493	7.026872146400302	6.130768280269024	0.8961038661312779	Same Family
[P06493, P24941]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P24941	P06493	6.154901959985743	6.366531544420414	0.21162958443467073	Same Family
[P06493, P24941]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)(C)O)Br	P24941	P06493	8.27642098432889	8.180202504080256	0.09621848024863411	Same Family
[P06493, P24941]	Cc1cc(ccc1S(=N)(=O)C)Nc2ncc(c(n2)NC(C)C(C)O)Br	P24941	P06493	8.397940008672037	8.397940008672037	0.0	Same Family
[P06493, P24941]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P24941	P06493	5.769551078621726	6.221848749616356	0.45229767099463025	Same Family
[P06493, P24941]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P06493	7.327902142064283	6.2335871528876	1.0943149891766826	Same Family
[P06493, P24941]	Cn1c2c(cccc2N3CCNCC3)nc1c4c(ncc(n4)c5cccc(c5)C(=O)N(C)C)N	P24941	P06493	5.853871964321762	6.301029995663981	0.44715803134221943	Same Family
[P06493, P24941]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	P24941	P06493	8.698970004336019	8.221848749616356	0.4771212547196626	Same Family
[P06493, P24941]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)NC(=O)C(CO)N)N)F	P24941	P06493	6.853871964321762	5.85078088734462	1.0030910769771415	Same Family
[P06493, P24941]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)NC(=O)CCC(=O)O)N)F	P24941	P06493	7.1487416512809245	6.306273051076353	0.8424686002045716	Same Family
[P06493, P24941]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)NC(=O)CCN4CCOCC4)N)F	P24941	P06493	6.928117992693875	5.809668301829708	1.1184496908641668	Same Family
[P06493, P24941]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)NC(=O)CN)N)F	P24941	P06493	6.920818753952375	5.97061622231479	0.9502025316375846	Same Family
[P06493, P24941]	c1cc(cc(c1)Br)c2cc(n3c(n2)ncn3)NCc4ccncc4	P24941	P06493	4.585026652029182	5.055517327849832	0.47049067582064996	Same Family
[P06493, P24941]	c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	P24941	P06493	6.455931955649724	6.853871964321762	0.3979400086720375	Same Family
[P06493, P24941]	c1cc(ncc1CN2CCNCC2)Nc3ncc4cc(n(c4n3)C5CCCC5)c6cnco6	P24941	P06493	5.552841968657781	5.958607314841775	0.40576534618399407	Same Family
[P06493, P24941]	c1cc(ncc1N2CCNCC2)Nc3ncc4cc(n(c4n3)C5CCCC5)c6cnco6	P24941	P06493	5.455931955649724	5.886056647693163	0.4301246920434387	Same Family
[P06493, P24941]	c1cc2c(c(c1)NC(=O)Nc3cc(n[nH]3)CNC4Cc5ccc(cc5C4)Cl)C6CCCN6C2=O	P24941	P06493	6.356547323513812	5.7447274948966935	0.6118198286171186	Same Family
[P06493, P24941]	c1ccc(cc1)S(=O)(=O)c2ccc(cc2)Nc3cc(nc4n3ncn4)NC5CCC(CC5)N	P24941	P06493	6.585026652029182	5.366531544420414	1.218495107608768	Same Family
[P06493, P24941]	c1ccc(cc1)c2cc(c(nc2)N)c3[nH]c4ccccc4n3	P24941	P06493	5.886056647693163	6.795880017344075	0.9098233696509119	Same Family
[P06493, P24941]	c1ccc2c(c1)[nH]c(n2)c3cccnc3N	P24941	P06493	4.6020599913279625	5.0	0.3979400086720375	Same Family
[P06493, P24941]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P24941	P06493	6.0034883278458215	5.90274269030658	0.1007456375392417	Same Family
[P06493, P24941]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P24941	P06493	5.612788199686269	5.353792387793315	0.2589958118929543	Same Family
[P06493, P24941]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P24941	P06493	7.096910013008056	6.913640169325252	0.18326984368280463	Same Family
[P06493, P24941]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P24941	P06493	7.853871964321762	7.619788758288394	0.23408320603336819	Same Family
[P24941, P50750]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P24941	P50750	7.6020599913279625	7.431798275933005	0.1702617153949575	Same Family
[P24941, P50750]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	P50750	6.039529222465701	8.0	1.960470777534299	Same Family
[P24941, P50750]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	P50750	6.774690718274138	8.522878745280337	1.7481880270061998	Same Family
[P24941, P50750]	CC(C)n1cnc2c1nc(nc2NCc3cccnc3)NCC(C(F)(F)F)O	P24941	P50750	6.2441251443275085	5.130768280269024	1.1133568640584848	Same Family
[P24941, P50750]	CC(C)n1cnc2c1nc(nc2NCc3cccnc3)NCC(C)O	P24941	P50750	6.537602002101044	5.185086818724926	1.3525151833761182	Same Family
[P24941, P50750]	CCC(C(C(F)(F)F)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50750	7.045757490560675	5.669586226650809	1.3761712639098658	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NC3CC3	P24941	P50750	7.301029995663981	6.568636235841013	0.7323937598229682	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NC3CCC3	P24941	P50750	6.795880017344075	6.301029995663981	0.49485002168009373	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCC3CC3	P24941	P50750	7.3979400086720375	6.42021640338319	0.9777236052888476	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3c(cccn3)C	P24941	P50750	6.113509274827518	5.2335871528876	0.8799221219399174	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cc(nc(c3)C)C	P24941	P50750	7.301029995663981	5.982966660701219	1.318063334962762	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(nc3)C	P24941	P50750	5.886056647693163	5.440093374963888	0.4459632727292755	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(nc3)C(F)(F)F	P24941	P50750	7.3979400086720375	6.6020599913279625	0.795880017344075	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccc(c3)F	P24941	P50750	7.309894379144197	7.096910013008056	0.21298436613614058	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccc(n3)C	P24941	P50750	7.301029995663981	5.690369832574102	1.6106601630898796	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P50750	7.284318117920506	6.97061622231479	0.3137018956057158	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccncc3	P24941	P50750	7.3979400086720375	6.214670164989233	1.1832698436828046	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cnc(cc3C)C	P24941	P50750	7.372363747448347	7.0	0.37236374744834677	Same Family
[P24941, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)CC3CC3)NCc4cccnc4	P24941	P50750	6.080921907623926	5.102922996790579	0.9779989108333469	Same Family
[P24941, P50750]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P24941	P50750	6.479303657420887	6.638272163982407	0.15896850656151962	Same Family
[P24941, P50750]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P24941	P50750	6.657577319177793	6.698970004336019	0.04139268515822536	Same Family
[P24941, P50750]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P24941	P50750	7.3979400086720375	7.366531544420414	0.03140846425162369	Same Family
[P24941, P50750]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P24941	P50750	6.154901959985743	6.346787486224656	0.19188552623891297	Same Family
[P24941, P50750]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P24941	P50750	5.769551078621726	5.6020599913279625	0.16749108729376339	Same Family
[P24941, P50750]	Cc1cnc(nc1c2cnc(s2)Nc3ccccn3)OC4CCCCC4	P24941	P50750	6.568636235841013	7.585026652029182	1.0163904161881687	Same Family
[P24941, P50750]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P24941	P50750	7.853871964321762	8.602059991327963	0.7481880270062007	Same Family
[P11802, P24941]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P24941	P11802	8.008864383480216	7.363847077798956	0.6450173056812591	Different Family
[P11802, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P24941	P11802	8.247425010840047	7.537860356969059	0.7095646538709879	Different Family
[P11802, P24941]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P24941	P11802	8.008864383480216	7.49148333035061	0.5173810531296059	Different Family
[P11802, P24941]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P24941	P11802	4.638272163982407	4.568636235841013	0.06963592814139385	Different Family
[P11802, P24941]	CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4	P24941	P11802	3.1278437272517072	4.950781977329818	1.8229382500781108	Different Family
[P11802, P24941]	CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.1023729087095586	5.036212172654444	1.9338392639448858	Different Family
[P11802, P24941]	CC(C)(C)c1ccc(cc1)c2ccccc2C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.5816987086802543	4.42021640338319	0.8385176947029356	Different Family
[P11802, P24941]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P24941	P11802	7.305416957817734	6.070581074285707	1.2348358835320266	Different Family
[P11802, P24941]	CC(C)OC(=O)N1CCn2cc(c3c2c(ccc3)C1)C4=C(C(=O)NC4=O)c5cnc6n5cccc6	P24941	P11802	5.468521082957745	5.481486060122113	0.012964977164368285	Different Family
[P11802, P24941]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	P24941	P11802	8.468521082957745	8.193820026016112	0.27470105694163216	Different Family
[P11802, P24941]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P11802	6.20446769648675	4.752922702990778	1.4515449934959719	Different Family
[P11802, P24941]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P11802	6.0598791120522595	4.593209505715904	1.4666696063363558	Different Family
[P11802, P24941]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P11802	6.926935982160881	5.022878745280337	1.9040572368805435	Different Family
[P11802, P24941]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P11802	7.284318117920506	5.010681525807763	2.2736365921127435	Different Family
[P11802, P24941]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P11802	6.808092317009784	4.780333653084869	2.0277586639249154	Different Family
[P11802, P24941]	CN(C)C(=O)N1CCn2cc(c3c2c(ccc3)C1)C4=C(C(=O)NC4=O)c5cnc6n5cccc6	P24941	P11802	5.6777807052660805	5.823908740944319	0.14612803567823818	Different Family
[P11802, P24941]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	P24941	P11802	4.119186407719209	8.0	3.8808135922807914	Different Family
[P11802, P24941]	CN(CCc1c[nH]c2c1cccc2)C(=O)c3ccc(cc3)c4ccc(cc4)F	P24941	P11802	3.057991946977687	4.6777807052660805	1.6197887582883936	Different Family
[P11802, P24941]	CN(CCc1c[nH]c2c1cccc2)C(=O)c3ccc(cc3)c4ccc(cc4)OC	P24941	P11802	3.5391021572434522	4.309803919971486	0.7707017627280339	Different Family
[P11802, P24941]	CN(CCc1c[nH]c2c1cccc2)C(=O)c3ccc(cc3)c4ccc(cc4)c5ccccc5	P24941	P11802	4.040958607678906	4.455931955649724	0.4149733479708182	Different Family
[P11802, P24941]	CN(CCc1c[nH]c2c1cccc2)C(=O)c3ccc(cc3)c4ccccc4	P24941	P11802	3.2831622767004753	5.221848749616356	1.9386864729158808	Different Family
[P11802, P24941]	CN(CCc1c[nH]c2c1cccc2)C(=O)c3ccc(cc3)c4ccncc4	P24941	P11802	4.036212172654444	4.585026652029182	0.5488144793747374	Different Family
[P11802, P24941]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	P24941	P11802	6.769551078621726	7.0	0.2304489213782741	Different Family
[P11802, P24941]	CNC(=N)SCCCN1C(=O)C2=C(C1=O)N3c4ccccc4CC3c5cccc6c5n2cc6	P24941	P11802	5.275724130399211	5.2441251443275085	0.031598986071702306	Different Family
[P11802, P24941]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P24941	P11802	5.200659450546418	5.2076083105017466	0.006948859955328679	Different Family
[P11802, P24941]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P24941	P11802	5.161150909262744	4.853871964321762	0.3072789449409825	Different Family
[P11802, P24941]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P24941	P11802	4.698970004336019	4.356547323513813	0.3424226808222057	Different Family
[P11802, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P24941	P11802	7.431798275933005	7.3979400086720375	0.03385826726096752	Different Family
[P11802, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P24941	P11802	7.443697499232713	7.4089353929735005	0.03476210625921272	Different Family
[P11802, P24941]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P24941	P11802	7.251811972993799	7.376750709602099	0.1249387366082999	Different Family
[P11802, P24941]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P11802	7.6020599913279625	7.455931955649724	0.14612803567823818	Different Family
[P11802, P24941]	COc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	2.9645702618154517	4.318758762624412	1.3541885008089607	Different Family
[P11802, P24941]	COc1ccc(cc1)c2ccccc2C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.035740369803151	4.102372908709558	1.0666325389064073	Different Family
[P11802, P24941]	COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2	P24941	P11802	7.657577319177793	6.698970004336019	0.9586073148417746	Different Family
[P11802, P24941]	COc1cccc(c1)c2ccc(cc2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.3726341434072675	4.552841968657781	1.180207825250513	Different Family
[P11802, P24941]	COc1cccc(c1)c2cccc(c2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.441291429466834	4.481486060122113	1.0401946306552787	Different Family
[P11802, P24941]	COc1cccc(c1)c2ccccc2C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.033389013318066	4.275724130399211	1.242335117081145	Different Family
[P11802, P24941]	COc1ccccc1c2ccc(cc2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.493494967595128	4.657577319177793	1.1640823515826653	Different Family
[P11802, P24941]	COc1ccccc1c2cccc(c2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	2.95506845385084	4.102372908709558	1.1473044548587183	Different Family
[P11802, P24941]	COc1ccccc1c2ccccc2C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.425968732272281	4.585026652029182	1.1590579197569006	Different Family
[P11802, P24941]	Cc1c2c(n[nH]1)Nc3ccc(cc3C(=N2)c4ccccc4Cl)N	P24941	P11802	7.055517327849832	6.518557371497695	0.5369599563521366	Different Family
[P11802, P24941]	Cc1c2cnc(nc2n(c(=O)c1Br)C3CCCC3)Nc4ccc(cc4)N5CCNCC5	P24941	P11802	6.357535479757878	8.301029995663981	1.943494515906103	Different Family
[P11802, P24941]	Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cc4)N5CCNCC5	P24941	P11802	6.638272163982407	8.698970004336019	2.060697840353612	Different Family
[P11802, P24941]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P24941	P11802	5.401209493236885	5.3260580013659125	0.07515149187097236	Different Family
[P11802, P24941]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P24941	P11802	5.769551078621726	8.036212172654444	2.2666610940327185	Different Family
[P11802, P24941]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	P11802	7.327902142064283	7.3979400086720375	0.07003786660775457	Different Family
[P11802, P24941]	Cc1ccc(cc1)c2ccc(cc2)C(=O)N(C)CCc3c[nH]c4c3cccc4	P24941	P11802	4.154901959985743	4.619788758288394	0.46488679830265056	Different Family
[P11802, P24941]	Cc1ccc(cc1)c2ccc(cc2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.133122185662501	5.045757490560675	1.9126353048981737	Different Family
[P11802, P24941]	Cc1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.0883098412461387	4.7447274948966935	1.6564176536505548	Different Family
[P11802, P24941]	Cc1ccc(cc1)c2cccc(c2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.33161408331	4.619788758288394	1.2881746749783938	Different Family
[P11802, P24941]	Cc1ccc2c(c1)CCN2C(=O)C(=O)c3c[nH]c4c3cc(cc4)C	P24941	P11802	3.1487416512809245	4.42021640338319	1.2714747521022653	Different Family
[P11802, P24941]	Cc1ccc2c(c1)CCN2C(=O)C(=O)c3c[nH]c4c3cccc4	P24941	P11802	3.0409586076789066	4.267606240177032	1.2266476324981253	Different Family
[P11802, P24941]	Cc1ccc2c(c1)c(c[nH]2)C(=O)C(=O)N3CCc4c3cccc4	P24941	P11802	3.021819483062586	4.3819519032879075	1.3601324202253213	Different Family
[P11802, P24941]	Cc1ccc2c(c1)c(c[nH]2)CCn3ccc4c3cccc4	P24941	P11802	3.3979400086720375	3.8239087409443187	0.42596873227228116	Different Family
[P11802, P24941]	Cc1ccc2c(c1)ccn2CCc3c[nH]c4c3cc(cc4)C	P24941	P11802	3.0177287669604316	4.356547323513813	1.3388185565533814	Different Family
[P11802, P24941]	Cc1ccc2c(c1)ccn2CCc3c[nH]c4c3cccc4	P24941	P11802	3.3010299956639813	3.886056647693163	0.5850266520291818	Different Family
[P11802, P24941]	Cc1cccc(c1)c2ccc(cc2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.3925449767853313	4.6020599913279625	1.2095150145426312	Different Family
[P11802, P24941]	Cc1cccc(c1)c2cccc(c2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.332547047110046	4.958607314841775	1.6260602677317286	Different Family
[P11802, P24941]	Cc1cccc(c1)c2ccccc2C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.413412695328245	4.585026652029182	1.171613956700937	Different Family
[P11802, P24941]	Cc1cccc(c1)c2ccccc2C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.3914739664228057	4.823908740944319	1.432434774521513	Different Family
[P11802, P24941]	Cc1ccccc1c2ccc(cc2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.4685210829577446	4.494850021680094	1.026328938722349	Different Family
[P11802, P24941]	Cc1ccccc1c2cccc(c2)C(=O)N3CCc4c5ccccc5[nH]c4C3	P24941	P11802	3.1771783546968955	4.1249387366083	0.9477603819114044	Different Family
[P11802, P24941]	Cc1cnc(nc1c2cnc(s2)Nc3ccccn3)OC4CCCCC4	P24941	P11802	6.568636235841013	7.886056647693163	1.31742041185215	Different Family
[P11802, P24941]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	P24941	P11802	4.376750709602099	4.3979400086720375	0.021189299069938272	Different Family
[P11802, P24941]	c1cc(ccc1Nc2ncc3cc(c(=O)n(c3n2)C4CCCC4)Br)N5CCNCC5	P24941	P11802	7.366531544420414	8.698970004336019	1.332438459915605	Different Family
[P11802, P24941]	c1cc2c(c(c1)NC(=O)Nc3cc(n[nH]3)CNC4Cc5ccc(cc5C4)Cl)C6CCCN6C2=O	P24941	P11802	6.356547323513812	8.638272163982407	2.281724840468595	Different Family
[P11802, P24941]	c1cc2c(cc1Cl)c(c[nH]2)C(=O)C(=O)N3CCc4c3ccc(c4)Cl	P24941	P11802	3.0385789059335515	4.361510743045363	1.3229318371118115	Different Family
[P11802, P24941]	c1cc2c(cc1Cl)c(c[nH]2)CCn3ccc4c3ccc(c4)Cl	P24941	P11802	3.0644927341752872	4.42021640338319	1.3557236692079027	Different Family
[P11802, P24941]	c1cc2c(cc1F)c(c[nH]2)C(=O)C(=O)N3CCc4c3ccc(c4)F	P24941	P11802	3.0883098412461387	4.318758762624412	1.2304489213782737	Different Family
[P11802, P24941]	c1cc2c(cc1F)c(c[nH]2)CCn3ccc4c3ccc(c4)F	P24941	P11802	3.048176964684088	4.136677139879544	1.0885001751954562	Different Family
[P11802, P24941]	c1ccc(cc1)NC(=N)SCCCN2C(=O)C3=C(C2=O)N4c5ccccc5CC4c6cccc7c6n3cc7	P24941	P11802	5.292429823902063	5.102372908709558	0.19005691519250512	Different Family
[P11802, P24941]	c1ccc(cc1)c2ccc(cc2)C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	3.068033885271827	4.795880017344075	1.7278461320722478	Different Family
[P11802, P24941]	c1ccc(cc1)c2cccc(c2)C(=O)NCCc3c[nH]c4c3cccc4	P24941	P11802	2.999132278468773	4.0655015487564325	1.0663692702876597	Different Family
[P11802, P24941]	c1ccc2c(c1)CCN2C(=O)C(=O)c3c[nH]c4c3cc(cc4)Cl	P24941	P11802	3.0065637695023884	4.017728766960432	1.0111649974580437	Different Family
[P11802, P24941]	c1ccc2c(c1)CCN2C(=O)C(=O)c3c[nH]c4c3cc(cc4)F	P24941	P11802	2.9355420107730814	3.9355420107730814	1.0	Different Family
[P11802, P24941]	c1ccc2c(c1)CCN2C(=O)C(=O)c3c[nH]c4c3cccc4	P24941	P11802	3.1191864077192086	3.9136401693252516	0.794453761606043	Different Family
[P11802, P24941]	c1ccc2c(c1)CCN2CCN3CCc4c3cccc4	P24941	P11802	2.910094888560602	4.180456064458132	1.2703611758975297	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)N3CCc4c3ccc(c4)Cl	P24941	P11802	2.9871627752948275	4.158015195409886	1.1708524201150587	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)N3CCc4c3ccc(c4)F	P24941	P11802	3.1023729087095586	3.8664610916297826	0.764088182920224	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccc(cc3)c4ccc(cc4)F	P24941	P11802	3.11690664142431	4.823908740944319	1.7070020995200088	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3cccc(c3)c4cccnc4	P24941	P11802	3.8239087409443187	4.522878745280337	0.6989700043360187	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccccc3c4ccc(cc4)F	P24941	P11802	2.915066425063284	4.42021640338319	1.5051499783199058	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)CCNC(=O)c3ccccc3c4cccc(c4)F	P24941	P11802	3.3798639450262424	4.698970004336019	1.3191060593097763	Different Family
[P11802, P24941]	c1ccc2c(c1)c(c[nH]2)CCn3ccc4c3ccc(c4)Cl	P24941	P11802	3.3665315444204134	3.853871964321762	0.48734041990134847	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)c5ccc(cc5)F	P24941	P11802	3.3585258894959003	4.920818753952375	1.5622928644564746	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)c5cccc(c5)F	P24941	P11802	3.5287082889410613	4.6777807052660805	1.1490724163250192	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccc(cc4)c5ccccc5F	P24941	P11802	3.5086383061657274	4.769551078621726	1.2609127724559985	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4cccc(c4)c5ccc(cc5)F	P24941	P11802	3.4975728800155674	4.6020599913279625	1.104487111312395	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4cccc(c4)c5cccc(c5)F	P24941	P11802	3.213958789757446	4.568636235841013	1.354677446083567	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4cccc(c4)c5ccccc5F	P24941	P11802	3.474955192963155	4.7447274948966935	1.2697723019335387	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccccc4c5ccc(cc5)F	P24941	P11802	3.447331783887807	4.638272163982407	1.1909403800946001	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccccc4c5cccc(c5)F	P24941	P11802	3.318758762624413	4.455931955649724	1.1371731930253115	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccccc4c5ccccc5F	P24941	P11802	3.362510270487489	4.721246399047171	1.358736128559682	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccccc4c5cccnc5	P24941	P11802	3.505845405981557	4.443697499232712	0.9378520932511551	Different Family
[P11802, P24941]	c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)c4ccccc4c5ccncc5	P24941	P11802	3.4509967379742124	4.4089353929735005	0.9579386549992881	Different Family
[P11802, P24941]	c1ccc2c(c1)c3cc[n+]-4c(c3[nH]2)C(=O)c5c4cccc5	P24941	P11802	3.3010299956639813	6.35778463307774	3.056754637413759	Different Family
[P11802, P24941]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P24941	P11802	5.443697499232713	5.568636235841013	0.1249387366082999	Different Family
[P11802, P24941]	c1ccc2c(c1)ccn2CCCCCCn3ccc4c3cccc4	P24941	P11802	2.91721462968355	3.9746941347352296	1.0574795050516794	Different Family
[P11802, P24941]	c1ccc2c(c1)ccn2CCCCCn3ccc4c3cccc4	P24941	P11802	3.0222763947111524	4.2839966563652006	1.2617202616540482	Different Family
[P11802, P24941]	c1ccc2c(c1)ccn2CCCCn3ccc4c3cccc4	P24941	P11802	2.9888526392242025	4.346787486224656	1.3579348470004535	Different Family
[P11802, P24941]	c1ccc2c(c1)ccn2CCCn3ccc4c3cccc4	P24941	P11802	2.9706162223147903	4.42021640338319	1.4496001810683996	Different Family
[P11802, P24941]	c1ccc2c(c1)ccn2CCc3c[nH]c4c3cc(cc4)F	P24941	P11802	3.6989700043360187	4.301029995663981	0.6020599913279625	Different Family
[P11802, P24941]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(CC5)C(=O)N7CCCCC7)F	P24941	P11802	5.552841968657781	5.7447274948966935	0.19188552623891297	Different Family
[P11802, P24941]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCCCC7	P24941	P11802	5.267606240177032	5.318758762624412	0.051152522447380555	Different Family
[P11802, P24941]	c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cccc6CN(CC5)C(=O)N7CCOCC7	P24941	P11802	5.275724130399211	5.769551078621726	0.49382694822251505	Different Family
[P11802, P24941]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P24941	P11802	7.096910013008056	7.376750709602099	0.279840696594043	Different Family
[P11802, P24941]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P24941	P11802	7.853871964321762	8.3767507096021	0.5228787452803374	Different Family
[P24941, Q05513]	CC(=O)Nc1ccc(cc1)c2ccc3c(c2)[nH]nc3c4[nH]c5cccc(c5n4)N6CCN(CC6)C	P24941	Q05513	5.0	5.055517327849832	0.055517327849831766	Different Group
[P24941, Q05513]	CC(=O)c1ccc(cc1)c2ccc3c(c2)[nH]nc3c4[nH]c5cccc(c5n4)N6CCN(CC6)C	P24941	Q05513	5.0	4.866461091629782	0.13353890837021787	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N	P24941	Q05513	5.982966660701219	8.285670240254767	2.3027035795535475	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)C6=CC7=CC=CNC7C=C6	P24941	Q05513	5.0	5.164943898279883	0.16494389827988343	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(c(c6)F)N	P24941	Q05513	5.761953896871205	7.255707016877324	1.4937531200061187	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(c(c6)OC)N	P24941	Q05513	6.607303046740334	7.289882634888183	0.6825795881478491	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(c(c6)OC)O	P24941	Q05513	8.387216143280265	8.645891560852599	0.25867541757233425	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)C(=O)O	P24941	Q05513	5.0	4.5638373529592435	0.43616264704075647	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)CN	P24941	Q05513	5.0	4.507239610973163	0.49276038902683705	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)CO	P24941	Q05513	4.667561540084395	6.537602002101044	1.8700404620166493	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)O	P24941	Q05513	7.876148359032914	8.2518119729938	0.3756636139608851	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)F	P24941	Q05513	5.0	4.721246399047171	0.27875360095282886	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N	P24941	Q05513	5.0	7.632644078973981	2.632644078973981	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)O	P24941	Q05513	6.991399828238082	7.657577319177793	0.6661774909397113	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)OC	P24941	Q05513	5.0	4.906578314837765	0.0934216851622347	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc7c(c6)cc[nH]7	P24941	Q05513	5.0	5.38933983691012	0.3893398369101204	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6cccc(c6)N	P24941	Q05513	5.214670164989233	5.82102305270683	0.6063528877175974	Different Group
[P24941, Q05513]	CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccccc6OC	P24941	Q05513	5.0	5.2580609222708015	0.25806092227080146	Different Group
[P24941, Q05513]	CNc1ccc(cc1)c2ccc3c(c2)[nH]nc3c4[nH]c5cccc(c5n4)N6CCN(CC6)C	P24941	Q05513	3.962573502059376	6.232844133917819	2.270270631858443	Different Group
[P24941, Q00535]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	Q00535	6.039529222465701	5.873868592738016	0.16566062972768503	Same Family
[P24941, Q00535]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P24941	Q00535	6.774690718274138	5.9677842967020185	0.8069064215721191	Same Family
[P24941, Q00535]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	P24941	Q00535	8.133803120088515	8.221848749616356	0.08804562952784067	Same Family
[P24941, Q00535]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P24941	Q00535	7.305416957817734	7.1249387366083	0.1804782212094338	Same Family
[P24941, Q00535]	CC(C)c1cnn2c1nc(nc2NCc3ccc(cc3)Cl)NC(CO)C(C)C	P24941	Q00535	7.221848749616356	7.221848749616356	0.0	Same Family
[P24941, Q00535]	CC1(CC2=C(C(C3=C(NNC3=N2)C(F)(F)F)c4ccccc4OC)C(=O)C1)C	P24941	Q00535	5.4089353929735005	5.7447274948966935	0.3357921019231931	Same Family
[P24941, Q00535]	CC1=C2C(C3=C(CC(CC3=O)(C)C)N=C2NN1)c4ccccc4OC	P24941	Q00535	5.823908740944319	5.853871964321762	0.02996322337744317	Same Family
[P24941, Q00535]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P24941	Q00535	6.479303657420887	6.269829265316117	0.20947439210477015	Same Family
[P24941, Q00535]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P24941	Q00535	6.657577319177793	6.494850021680094	0.16272729749769965	Same Family
[P24941, Q00535]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P24941	Q00535	7.3979400086720375	7.020479303839453	0.3774607048325844	Same Family
[P24941, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P24941	Q00535	7.431798275933005	5.867740310468956	1.5640579654640492	Same Family
[P24941, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P24941	Q00535	7.443697499232713	5.928854709548917	1.5148427896837964	Same Family
[P24941, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P24941	Q00535	7.251811972993799	5.823330067331851	1.4284819056619487	Same Family
[P24941, Q00535]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	Q00535	7.6020599913279625	5.961379838050298	1.640680153277665	Same Family
[P24941, Q00535]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P24941	Q00535	5.769551078621726	5.522878745280337	0.2466723333413885	Same Family
[P24941, Q00535]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P24941	Q00535	7.327902142064283	5.847711655616943	1.4801904864473396	Same Family
[P24941, Q00535]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	P24941	Q00535	8.698970004336019	7.899974269892137	0.7989957344438814	Same Family
[P24941, Q00535]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P24941	Q00535	7.853871964321762	7.468521082957745	0.3853508813640172	Same Family
[P24941, P28482]	CC(c1ccc(c(c1)Cl)Cl)NC(=O)N2CCc3cnc(nc3C2)NC4CCOC(C4)CO	P24941	P28482	8.698970004336019	8.426935982160881	0.27203402217513784	Different Family
[P24941, P28482]	CC1(c2c(c(n[nH]2)NC(=O)C(C)(C)C)CN1C(=O)OC(CN(C)C)c3ccccc3)C	P24941	P28482	6.346787486224656	6.769551078621726	0.42276359239706984	Different Family
[P24941, P28482]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P28482	6.20446769648675	4.465350993942235	1.7391167025445151	Different Family
[P24941, P28482]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P28482	6.0598791120522595	4.064301109256258	1.9955780027960017	Different Family
[P24941, P28482]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P28482	6.926935982160881	4.248445281664315	2.6784907004965657	Different Family
[P24941, P28482]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P28482	7.284318117920506	4.668621084159213	2.6156970337612933	Different Family
[P24941, P28482]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P24941	P28482	6.808092317009784	4.6006746772773655	2.2074176397324186	Different Family
[P24941, P28482]	CCC(c1ccc(c(c1)Cl)C#N)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4	P24941	P28482	8.698970004336019	8.698970004336019	0.0	Different Family
[P24941, P28482]	CCC(c1ccc(c(c1)Cl)OC)NC(=O)N2CCc3cnc(nc3C2)NC(C)CO	P24941	P28482	7.1487416512809245	8.27642098432889	1.1276793330479657	Different Family
[P24941, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P24941	P28482	5.928117992693875	5.201349354554731	0.726768638139144	Different Family
[P24941, P28482]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P24941	P28482	6.154901959985743	6.221848749616356	0.06694678963061307	Different Family
[P24941, P28482]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	P24941	P28482	5.568636235841013	4.6020599913279625	0.9665762445130506	Different Family
[O00311, P24941]	C#Cc1ccc2ccn(c2c1)c3ccnc(n3)N	P24941	O00311	5.0	6.119186407719209	1.1191864077192086	Different Group
[O00311, P24941]	CNc1nccc(n1)n2ccc3c2cc(cc3)C#N	P24941	O00311	5.568636235841013	7.6020599913279625	2.0334237554869494	Different Group
[O00311, P24941]	c1c[nH]nc1c2cn(c3c2cncc3)c4ccnc(n4)N	P24941	O00311	6.259637310505756	6.236572006437063	0.023065304068692782	Different Group
[O00311, P24941]	c1cc(cc(c1)F)CNC(=O)CC2CNC(=O)c3n2cc(c3)c4c[nH]nc4	P24941	O00311	7.221848749616356	6.546681659952962	0.6751670896633941	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(c3)N)C#N	P24941	O00311	4.4089353929735005	5.045757490560675	0.6368220975871743	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(n3)N)Br	P24941	O00311	5.086186147616283	6.455931955649724	1.369745808033441	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(n3)N)C(F)(F)F	P24941	O00311	4.769551078621726	5.958607314841775	1.1890562362200487	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(n3)N)Cl	P24941	O00311	5.431798275933005	7.180456064458132	1.7486577885251267	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(n3)N)F	P24941	O00311	4.468521082957745	6.806875401645539	2.338354318687794	Different Group
[O00311, P24941]	c1cc(cc2c1ccn2c3ccnc(n3)N)O	P24941	O00311	5.301029995663981	5.481486060122113	0.18045606445813167	Different Group
[O00311, P24941]	c1cc(ccc1c2cn(c3c2cncc3)c4ccnc(n4)N)Cl	P24941	O00311	7.221848749616356	6.481486060122113	0.7403626894942432	Different Group
[O00311, P24941]	c1cc(cnc1)c2cn(c3c2cncc3)c4ccnc(n4)N	P24941	O00311	5.958607314841775	6.795880017344075	0.8372727025023003	Different Group
[O00311, P24941]	c1cc(nc(c1)n2ccc3c2cc(cc3)C#N)N	P24941	O00311	4.346787486224656	4.982966660701219	0.6361791744765632	Different Group
[O00311, P24941]	c1cc2c(ccn2c3ccnc(n3)N)nc1	P24941	O00311	4.6777807052660805	4.8996294548824375	0.22184874961635703	Different Group
[O00311, P24941]	c1cc2ccn(c2nc1)c3ccnc(n3)N	P24941	O00311	4.376750709602099	4.573488738635425	0.19673802903332582	Different Group
[O00311, P24941]	c1ccc(c(c1)c2cn(c3c2cncc3)c4ccnc(n4)N)Cl	P24941	O00311	6.958607314841775	7.958607314841775	1.0	Different Group
[O00311, P24941]	c1ccc(cc1)c2cn(c3c2cncc3)c4ccnc(n4)N	P24941	O00311	6.508638306165727	6.982966660701219	0.4743283545354924	Different Group
[O00311, P24941]	c1ccc2c(c1)ccn2c3ccnc(n3)N	P24941	O00311	4.54515513999149	5.327902142064283	0.7827470020727931	Different Group
[O00311, P24941]	c1cnc(nc1n2ccc3c2cc(nc3)Cl)N	P24941	O00311	4.42021640338319	6.443697499232713	2.0234810958495233	Different Group
[O00311, P24941]	c1cncc2c1ccn2c3ccnc(n3)N	P24941	O00311	4.345823458122039	6.031517051446065	1.685693593324026	Different Group
[O00311, P24941]	c1cncc2c1n(cc2)c3ccnc(n3)N	P24941	O00311	5.431798275933005	6.008773924307505	0.5769756483744999	Different Group
[O00311, P24941]	c1cncc2c1n(cc2C3=CCOCC3)c4ccnc(n4)N	P24941	O00311	6.795880017344075	6.795880017344075	0.0	Different Group
[O00311, P24941]	c1cncc2c1n(cc2c3ccoc3)c4ccnc(n4)N	P24941	O00311	7.0	6.920818753952375	0.07918124604762511	Different Group
[O00311, P24941]	c1cnccc1c2cn(c3c2cncc3)c4ccnc(n4)N	P24941	O00311	6.795880017344075	6.6020599913279625	0.19382002601611248	Different Group
[P08581, P53350]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P53350	P08581	4.0	4.394694953858891	0.39469495385889086	Different Group
[P08581, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P53350	P08581	4.663540266151471	5.505845405981558	0.8423051398300867	Different Group
[P08581, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P53350	P08581	5.497572880015567	6.236572006437063	0.7389991264214961	Different Group
[P08581, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P53350	P08581	5.199970640755866	5.950781977329818	0.7508113365739524	Different Group
[P08581, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P53350	P08581	4.928117992693875	5.06398920428479	0.1358712115909153	Different Group
[P08581, P53350]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P53350	P08581	4.0	4.560667306169737	0.5606673061697371	Different Group
[P08581, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P53350	P08581	5.476253533188435	6.236572006437063	0.7603184732486277	Different Group
[P08581, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P53350	P08581	5.4089353929735005	5.958607314841775	0.5496719218682742	Different Group
[P08581, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P53350	P08581	5.1938200260161125	6.096910013008056	0.9030899869919438	Different Group
[P08581, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P53350	P08581	5.2403321553103694	6.236572006437063	0.9962398511266937	Different Group
[P08581, P53350]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P53350	P08581	5.00436480540245	5.481486060122113	0.4771212547196626	Different Group
[O00444, P53350]	CNC(=O)c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P53350	O00444	4.309803919971486	5.0	0.6901960800285138	Same Family
[O00444, P53350]	COc1cc(cc(c1O)Cl)C=C2c3cc(ccc3NC2=O)Br	P53350	O00444	5.443697499232713	6.0655015487564325	0.6218040495237194	Same Family
[O00444, P53350]	COc1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P53350	O00444	5.0	7.327902142064283	2.327902142064283	Same Family
[O00444, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P53350	O00444	5.476253533188435	5.527243550682788	0.05099001749435228	Same Family
[O00444, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P53350	O00444	5.4089353929735005	5.3872161432802645	0.02171924969323591	Same Family
[O00444, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P53350	O00444	5.1938200260161125	6.154901959985743	0.9610819339696306	Same Family
[O00444, P53350]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(=O)N2	P53350	O00444	5.337242168318426	6.638272163982407	1.3010299956639813	Same Family
[O00444, P53350]	c1cc2cn[nH]c2cc1C=C3c4cc(ccc4NC3=O)F	P53350	O00444	4.823908740944319	6.920818753952375	2.0969100130080562	Same Family
[O00444, P53350]	c1cc2cn[nH]c2cc1C=C3c4ccc(cc4NC3=O)Cl	P53350	O00444	4.585026652029182	5.886056647693163	1.3010299956639813	Same Family
[O00444, P53350]	c1ccc(c(c1)C=C2c3ccccc3NC2=O)O	P53350	O00444	4.5376020021010435	5.214670164989233	0.6770681628881894	Same Family
[O00444, P53350]	c1ccc2c(c1)C(=Cc3ccc(cc3)O)C(=O)N2	P53350	O00444	4.6020599913279625	6.638272163982407	2.0362121726544444	Same Family
[O00444, P53350]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nn4)C(=O)N2	P53350	O00444	4.5376020021010435	5.657577319177793	1.11997531707675	Same Family
[O00444, P53350]	c1ccc2c(c1)C(=Cc3ccc4c(c3)cn[nH]4)C(=O)N2	P53350	O00444	4.698970004336019	6.4089353929735005	1.7099653886374817	Same Family
[O00444, P53350]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P53350	O00444	4.619788758288394	6.587937083041726	1.968148324753332	Same Family
[O00444, P53350]	c1ccc2c(c1)C(=Cc3cccc(c3)O)C(=O)N2	P53350	O00444	4.6020599913279625	6.0655015487564325	1.46344155742847	Same Family
[P31749, P53350]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P53350	P31749	4.0	4.135488918941608	0.13548891894160775	Different Group
[P31749, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P53350	P31749	4.663540266151471	4.315154638355588	0.3483856277958832	Different Group
[P31749, P53350]	COC(=O)c1cc2c([nH]nc2s1)Nc3ccccc3	P53350	P31749	4.6777807052660805	4.795880017344075	0.11809931207799451	Different Group
[P31749, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P53350	P31749	5.497572880015567	5.667561540084395	0.16998866006882807	Different Group
[P31749, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P53350	P31749	5.199970640755866	5.39040559077478	0.19043495001891397	Different Group
[P31749, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P53350	P31749	4.928117992693875	4.634512015109101	0.29360597758477436	Different Group
[P31749, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P53350	P31749	5.476253533188435	5.476253533188435	0.0	Different Group
[P31749, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P53350	P31749	5.4089353929735005	5.721246399047171	0.3123110060736707	Different Group
[P31749, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P53350	P31749	5.2403321553103694	5.268411234813262	0.028079079502892235	Different Group
[P31749, P53350]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	P53350	P31749	6.136677139879544	4.823908740944319	1.3127683989352255	Different Group
[P31749, P53350]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P53350	P31749	4.0	4.413412695328245	0.4134126953282449	Different Group
[P31749, P53350]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P53350	P31749	5.00436480540245	5.045757490560675	0.041392685158224474	Different Group
[P53350, Q9H4B4]	CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(c5c(coc5C3=O)C(=O)OC4COC)C)C	P53350	Q9H4B4	5.886056647693163	6.657577319177793	0.7715206714846303	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCC(=O)N	P53350	Q9H4B4	7.292429823902063	5.85949195696182	1.432937866940243	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1)Nc2cc3c(cn2)onc3c4ccc5c(c4)OCO5	P53350	Q9H4B4	6.669586226650809	7.619788758288394	0.9502025316375846	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC	P53350	Q9H4B4	8.522878745280337	7.3872161432802645	1.1356626020000729	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P53350	Q9H4B4	8.698970004336019	6.568636235841013	2.1303337684950057	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCNCC5	P53350	Q9H4B4	8.522878745280337	6.455931955649724	2.066946789630613	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OCC5CCN(CC5)C	P53350	Q9H4B4	8.154901959985743	6.259637310505756	1.8952646494799872	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC	P53350	Q9H4B4	9.0	7.455931955649724	1.5440680443502757	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCCN(CC5)C	P53350	Q9H4B4	8.460409376976187	6.610924374808178	1.8494850021680094	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P53350	Q9H4B4	8.698970004336019	6.200659450546418	2.498310553789601	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OCC(CN5CCCC5)O	P53350	Q9H4B4	8.522878745280337	6.214670164989233	2.3082085802911045	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OCC(CO)O	P53350	Q9H4B4	9.0	7.214670164989233	1.7853298350107671	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OCC5CCN(CC5)C	P53350	Q9H4B4	8.221848749616356	5.958607314841775	2.2632414347745815	Same Family
[P53350, Q9H4B4]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OCCCN(C)C	P53350	Q9H4B4	8.397940008672037	6.337242168318426	2.060697840353612	Same Family
[P53350, Q9H4B4]	CCC1C(=O)N(c2cnc(nc2N1C(C)C)c3cn[nH]c3c4nccs4)C	P53350	Q9H4B4	6.113509274827518	4.906578314837765	1.2069309599897524	Same Family
[P53350, Q9H4B4]	CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C)C	P53350	Q9H4B4	7.494850021680094	5.889410289700751	1.6054397319793425	Same Family
[P53350, Q9H4B4]	CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	P53350	Q9H4B4	8.096910013008056	4.026872146400302	4.070037866607755	Same Family
[P53350, Q9H4B4]	COc1cc2c(cc1OC)n(cn2)c3cc(c(s3)C(=O)N)OCc4ccccc4C(F)(F)F	P53350	Q9H4B4	8.698970004336019	8.045757490560675	0.653212513775344	Same Family
[P53350, Q9H4B4]	COc1cc2c(cc1OC)n(cn2)c3cc(c(s3)C(=O)N)OCc4ccccc4Cl	P53350	Q9H4B4	8.698970004336019	8.045757490560675	0.653212513775344	Same Family
[P53350, Q9H4B4]	Cc1c(=O)nc2n(n1)c(=O)c(=Cc3cc(ccc3OC)Br)s2	P53350	Q9H4B4	5.494850021680094	5.522878745280337	0.028028723600243666	Same Family
[P53350, Q9H4B4]	c1cc2cn[nH]c2cc1C=C3c4cc(ccc4NC3=O)F	P53350	Q9H4B4	4.823908740944319	4.619788758288394	0.20411998265592501	Same Family
[P53350, Q9H4B4]	c1ccc2c(c1)C(=Cc3ccc4c(c3)cn[nH]4)C(=O)N2	P53350	Q9H4B4	4.698970004336019	4.958607314841775	0.2596373105057559	Same Family
[O60285, P53350]	CC(c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P53350	O60285	8.698970004336019	6.075720713938118	2.623249290397901	Different Group
[O60285, P53350]	CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	P53350	O60285	8.698970004336019	5.698970004336019	3.0	Different Group
[O60285, P53350]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P53350	O60285	4.663540266151471	4.531652669587842	0.13188759656362858	Different Group
[O60285, P53350]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P53350	O60285	5.497572880015567	5.600326278518962	0.1027533985033946	Different Group
[O60285, P53350]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P53350	O60285	5.199970640755866	5.423658649794207	0.22368800903834174	Different Group
[O60285, P53350]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P53350	O60285	4.928117992693875	5.0	0.07188200730612504	Different Group
[O60285, P53350]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P53350	O60285	5.476253533188435	6.292429823902063	0.8161762907136278	Different Group
[O60285, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P53350	O60285	5.4089353929735005	5.7447274948966935	0.3357921019231931	Different Group
[O60285, P53350]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P53350	O60285	5.1938200260161125	5.769551078621726	0.5757310526056134	Different Group
[O60285, P53350]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P53350	O60285	5.2403321553103694	5.293282217663241	0.05295006235287136	Different Group
[P53350, Q9NYY3]	CC(C)N1c2c(cnc(n2)n3ccnc3c4ccc(cc4)F)N(C(=O)C15CCC5)C	P53350	Q9NYY3	4.5968794788241825	5.939302159646388	1.3424226808222057	Same Family
[P53350, Q9NYY3]	CC(c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCC(=O)N	P53350	Q9NYY3	7.292429823902063	6.764471553092451	0.527958270809612	Same Family
[P53350, Q9NYY3]	CC(c1ccccc1)Nc2cc3c(cn2)onc3c4ccc5c(c4)OCO5	P53350	Q9NYY3	6.669586226650809	8.397940008672037	1.7283537820212285	Same Family
[P53350, Q9NYY3]	CC1=CC(=O)C(=CC1=O)C(C)C	P53350	Q9NYY3	5.661543506395395	4.83209218999852	0.8294513163968746	Same Family
[P53350, Q9NYY3]	CCC1(C(=O)N(c2cnc(nc2N1CCC(F)(F)F)n3ccnc3c4ccc(cc4)F)C)C	P53350	Q9NYY3	5.145086977692144	7.522878745280337	2.377791767588193	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C(C)C)c3cn[nH]c3c4nccs4)C	P53350	Q9NYY3	6.113509274827518	7.221848749616356	1.1083394747888384	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C(C)C)n3ccnc3c4ccccc4)C	P53350	Q9NYY3	6.060480747381382	7.6020599913279625	1.5415792439465807	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C3CC(C3)(F)F)n4ccnc4c5ccc(cc5)F)C	P53350	Q9NYY3	5.027334407733889	7.920818753952375	2.893484346218486	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C3CCC(C3)(F)F)n4ccnc4c5ccc(cc5)F)C	P53350	Q9NYY3	6.494850021680094	7.886056647693163	1.3912066260130693	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C)C	P53350	Q9NYY3	7.494850021680094	5.94692155651658	1.5479284651635137	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	P53350	Q9NYY3	8.096910013008056	8.301029995663981	0.20411998265592501	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1C3CCOC3)n4ccnc4c5ccccc5)C	P53350	Q9NYY3	6.369487583003801	7.887345359137068	1.5178577761332672	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1CCC(F)(F)F)n3ccnc3c4ccccc4)C	P53350	Q9NYY3	6.6020599913279625	8.045757490560675	1.4436974992327123	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3ccc(cc3)C#N)n4ccnc4c5ccc(cc5)F)C	P53350	Q9NYY3	5.424812155072339	7.508638306165727	2.0838261510933878	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3ccc(cc3)F)n4ccnc4c5ccc(cc5)F)C	P53350	Q9NYY3	5.6307841425898575	7.823908740944319	2.193124598354461	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3ccccc3)n4ccnc4c5ccccc5)C	P53350	Q9NYY3	5.548213564475709	7.769551078621726	2.2213375141460165	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3ccnn3C)n4ccnc4c5ccc(cc5)F)C	P53350	Q9NYY3	4.540607512240769	6.274088367704952	1.7334808554641823	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3cnn(c3)C)c4cn[nH]c4c5ccc(cc5F)F)C	P53350	Q9NYY3	5.8996294548824375	6.987162775294828	1.0875333204123905	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3cnn(c3)C)c4cn[nH]c4c5ccccn5)C	P53350	Q9NYY3	5.739928612014925	6.774690718274138	1.0347621062592127	Same Family
[P53350, Q9NYY3]	CCC1C(=O)N(c2cnc(nc2N1c3cnn(c3)C)c4cn[nH]c4c5nccs5)C	P53350	Q9NYY3	5.739928612014925	6.886056647693163	1.1461280356782382	Same Family
[P53350, Q9NYY3]	CN1c2cnc(nc2N(C(C1=O)CC(F)(F)F)CCC(F)(F)F)n3ccnc3c4ccc(cc4)F	P53350	Q9NYY3	5.458420756053419	6.920818753952375	1.4623979978989556	Same Family
[P53350, Q9NYY3]	CNC1CC2n3c4ccccc4c5c3c6c(c7ccccc7n6C(C1OC)O2)c8c5C(=O)NC8	P53350	Q9NYY3	5.434979071654706	6.089909454405932	0.6549303827512256	Same Family
[P53350, Q9NYY3]	Cc1c(=O)nc2n(n1)c(=O)c(=Cc3cc(ccc3OC)Br)s2	P53350	Q9NYY3	5.494850021680094	5.769551078621726	0.27470105694163216	Same Family
[P53350, Q9NYY3]	Cc1cccc(c1)c2c3cc(ncc3on2)NC(C)c4ccccc4	P53350	Q9NYY3	6.2604276555499085	5.838931614528826	0.42149604102108285	Same Family
[P53350, Q9NYY3]	Cn1c2c(cc(c1=O)Sc3ccc(cc3)F)cnc(n2)Nc4ccc5c(c4)cc[nH]5	P53350	Q9NYY3	5.106904333903771	6.696803942579511	1.58989960867574	Same Family
[P53350, Q9NYY3]	c1cc2cn[nH]c2cc1C=C3c4cc(ccc4NC3=O)F	P53350	Q9NYY3	4.823908740944319	5.356547323513812	0.5326385825694935	Same Family
[P53350, Q9NYY3]	c1ccc2c(c1)C(=Cc3ccc4c(c3)[nH]nn4)C(=O)N2	P53350	Q9NYY3	4.5376020021010435	5.050609993355088	0.5130079912540442	Same Family
[P53350, Q9NYY3]	c1ccc2c(c1)C(=Cc3ccc4c(c3)cn[nH]4)C(=O)N2	P53350	Q9NYY3	4.698970004336019	5.721246399047171	1.0222763947111524	Same Family
[P53350, Q9NYY3]	c1ccc2c(c1)C(=Cc3ccc4cn[nH]c4c3)C(=O)N2	P53350	Q9NYY3	4.619788758288394	5.2441251443275085	0.6243363860391149	Same Family
[P05771, Q05513]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	Q05513	7.6531365255381765	5.031517051446065	2.6216194740921113	Same Family
[P05771, Q05513]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P05771	Q05513	7.534737457680704	6.663940722133651	0.870796735547053	Same Family
[P05771, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05771	Q05513	5.823908740944319	4.481486060122113	1.3424226808222057	Same Family
[P05771, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05771	Q05513	7.060480747381382	5.070581074285707	1.9898996730956746	Same Family
[P05771, Q05513]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	Q05513	8.0	5.154901959985743	2.845098040014257	Same Family
[P05771, Q05513]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05771	Q05513	7.849485002168009	5.301029995663981	2.548455006504028	Same Family
[P05771, Q05513]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05771	Q05513	8.301029995663981	4.657577319177793	3.643452676486188	Same Family
[P05771, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05771	Q05513	7.849485002168009	5.3979400086720375	2.451544993495972	Same Family
[P05771, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05771	Q05513	7.761439372640169	5.045757490560675	2.715681882079494	Same Family
[P05771, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05771	Q05513	7.522878745280337	5.096910013008056	2.425968732272281	Same Family
[P05771, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05771	Q05513	7.522878745280337	5.3979400086720375	2.1249387366083	Same Family
[P05771, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05771	Q05513	8.34948500216801	5.530740137411754	2.8187448647562556	Same Family
[P05771, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05771	Q05513	8.548455006504028	5.920818753952375	2.6276362525516532	Same Family
[P05771, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05771	Q05513	7.849485002168009	4.849485002168009	3.0	Same Family
[P05771, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q05513	7.349485002168009	4.657577319177793	2.691907682990216	Same Family
[P05771, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q05513	5.520002580835792	3.9172146296835497	1.602787951152242	Same Family
[P05771, Q05513]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05771	Q05513	6.49506218314392	4.267606240177032	2.2274559429668885	Same Family
[P05771, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05771	Q05513	7.400122411373262	4.356547323513813	3.043575087859449	Same Family
[P05771, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05771	Q05513	7.1386830387330935	4.259637310505756	2.8790457282273376	Same Family
[P05771, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05771	Q05513	7.394789710072473	5.060480747381382	2.3343089626910913	Same Family
[P05771, Q02156]	CC(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	5.318758762624412	4.494850021680094	0.8239087409443187	Same Family
[P05771, Q02156]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	7.698970004336019	6.886056647693163	0.8129133566428557	Same Family
[P05771, Q02156]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	7.698970004336019	7.468521082957745	0.2304489213782741	Same Family
[P05771, Q02156]	CC(C)(C)C(=O)OCn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P05771	Q02156	5.6020599913279625	6.1938200260161125	0.59176003468815	Same Family
[P05771, Q02156]	CC(C)(C)C(=O)OCn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P05771	Q02156	5.040958607678906	5.5376020021010435	0.49664339442213734	Same Family
[P05771, Q02156]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	Q02156	6.8979400086720375	5.221848749616356	1.6760912590556813	Same Family
[P05771, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	Q02156	6.025949097207123	7.7447274948966935	1.7187783976895705	Same Family
[P05771, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	P05771	Q02156	6.017276612331455	7.2076083105017466	1.1903316981702918	Same Family
[P05771, Q02156]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	4.698970004336019	5.494850021680094	0.795880017344075	Same Family
[P05771, Q02156]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	Q02156	7.6531365255381765	6.4089353929735005	1.244201132564676	Same Family
[P05771, Q02156]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	6.356547323513812	4.886056647693163	1.470490675820649	Same Family
[P05771, Q02156]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	Q02156	6.422508200162775	8.301029995663981	1.8785217955012063	Same Family
[P05771, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05771	Q02156	5.823908740944319	6.853871964321762	1.0299632233774432	Same Family
[P05771, Q02156]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	P05771	Q02156	7.060480747381382	6.337242168318426	0.7232385790629561	Same Family
[P05771, Q02156]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	5.657577319177793	5.431798275933005	0.22577904324478837	Same Family
[P05771, Q02156]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	Q02156	8.0	6.3979400086720375	1.6020599913279625	Same Family
[P05771, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	5.795880017344075	6.180456064458132	0.3845760471140567	Same Family
[P05771, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	6.0	5.886056647693163	0.11394335230683694	Same Family
[P05771, Q02156]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P05771	Q02156	7.721246399047171	7.6777807052660805	0.043465693781090664	Same Family
[P05771, Q02156]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05771	Q02156	8.25963296001283	6.221848749616356	2.037784210396474	Same Family
[P05771, Q02156]	CN(C)CCCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P05771	Q02156	7.3835921240769835	5.408378961786681	1.9752131622903022	Same Family
[P05771, Q02156]	CN(C)CCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P05771	Q02156	7.821891432890132	5.231657941355467	2.590233491534665	Same Family
[P05771, Q02156]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4cccc(c4)Cl	P05771	Q02156	8.0	5.584192272364457	2.415807727635543	Same Family
[P05771, Q02156]	CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)Nc4ccccc4	P05771	Q02156	7.920457143142827	5.461426266193144	2.459030876949683	Same Family
[P05771, Q02156]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05771	Q02156	7.849485002168009	7.301029995663981	0.5484550065040281	Same Family
[P05771, Q02156]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05771	Q02156	8.301029995663981	5.958607314841775	2.3424226808222066	Same Family
[P05771, Q02156]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	6.537602002101044	6.769551078621726	0.23194907652068153	Same Family
[P05771, Q02156]	CS(=O)(=O)Nc1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	Q02156	6.823908740944319	5.698970004336019	1.1249387366083	Same Family
[P05771, Q02156]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	P05771	Q02156	4.657577319177793	7.267606240177032	2.6100289209992384	Same Family
[P05771, Q02156]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	P05771	Q02156	4.657577319177793	4.022276394711152	0.635300924466641	Same Family
[P05771, Q02156]	Cc1cccc(c1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN(C)C	P05771	Q02156	7.821891432890132	5.461551948289783	2.360339484600349	Same Family
[P05771, Q02156]	Cn1c(nnn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P05771	Q02156	5.455931955649724	5.327902142064283	0.1280298135854414	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05771	Q02156	7.6386830387330935	5.026872146400302	2.611810892332792	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05771	Q02156	7.849485002168009	6.3979400086720375	1.4515449934959719	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05771	Q02156	7.761439372640169	6.045757490560675	1.715681882079494	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05771	Q02156	7.411954370472159	5.3979400086720375	2.014014361800122	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05771	Q02156	7.522878745280337	6.522878745280337	1.0	Same Family
[P05771, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05771	Q02156	7.522878745280337	6.0	1.5228787452803374	Same Family
[P05771, Q02156]	Cn1nc(nn1)c2cccc(c2C(=O)c3c(cc(cc3O)C(=O)OC4CCCC4NC(=O)c5ccc(cc5)O)O)O	P05771	Q02156	5.886056647693163	5.42021640338319	0.4658402443099732	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05771	Q02156	8.34948500216801	7.522878745280337	0.826606256887672	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05771	Q02156	8.548455006504028	8.0	0.5484550065040281	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05771	Q02156	7.849485002168009	6.911954370472159	0.93753063169585	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	7.349485002168009	7.301029995663981	0.04845500650402812	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)NS(=O)(=O)C(F)(F)F	P05771	Q02156	7.301029995663981	6.508638306165727	0.7923916894982543	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)c5n[nH]nn5	P05771	Q02156	6.537602002101044	5.698970004336019	0.8386319977650256	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	6.512054431799104	6.552841968657781	0.04078753685867653	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	5.541773025725037	4.795880017344075	0.7458930083809623	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	5.363847077798956	4.346787486224656	1.0170595915743004	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	5.520002580835792	5.229147988357856	0.29085459247793555	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	5.492739730621038	5.7447274948966935	0.25198776427565583	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	Q02156	7.750345712914612	8.0	0.24965428708538795	Same Family
[P05771, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P05771	Q02156	4.657577319177793	4.6020599913279625	0.05551732784983088	Same Family
[P05771, Q02156]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05771	Q02156	6.49506218314392	4.2441251443275085	2.250937038816412	Same Family
[P05771, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCN5CCCCC5	P05771	Q02156	7.76475065325454	5.465339424171556	2.299411229082984	Same Family
[P05771, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCO	P05771	Q02156	7.521435901161594	5.199145508496439	2.3222903926651544	Same Family
[P05771, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCSC(=N)N	P05771	Q02156	8.694457133292563	7.236572006437063	1.4578851268554995	Same Family
[P05771, Q02156]	c1ccc(cc1)NC2=C(C(=O)NC2=O)c3cn(c4c3cccc4)CCCn5ccnc5	P05771	Q02156	8.092933212869315	5.551757587365561	2.5411756255037545	Same Family
[P05771, Q02156]	c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	P05771	Q02156	6.595395277731248	5.124013228571512	1.471382049159736	Same Family
[P05771, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05771	Q02156	7.1386830387330935	5.42021640338319	1.7184666353499036	Same Family
[P05771, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05771	Q02156	7.394789710072473	4.102372908709558	3.292416801362915	Same Family
[P05771, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P05771	Q02156	6.062983892535186	8.096910013008056	2.03392612047287	Same Family
[P05771, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P05771	Q02156	6.179798540514359	8.154901959985743	1.9751034194713837	Same Family
[P05771, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	P05771	Q02156	6.08460016478773	8.096910013008056	2.012309848220326	Same Family
[P05771, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P05771	Q02156	6.108462542327436	7.886056647693163	1.7775941053657274	Same Family
[P05771, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P05771	Q02156	6.066006836168758	8.301029995663981	2.2350231594952232	Same Family
[P05771, P24723]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	7.698970004336019	7.853871964321762	0.15490195998574308	Same Family
[P05771, P24723]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	7.698970004336019	8.397940008672037	0.6989700043360187	Same Family
[P05771, P24723]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	P24723	6.8979400086720375	5.096910013008056	1.8010299956639813	Same Family
[P05771, P24723]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	P24723	6.025949097207123	8.045757490560675	2.019808393353552	Same Family
[P05771, P24723]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	P05771	P24723	6.017276612331455	7.7447274948966935	1.7274508825652388	Same Family
[P05771, P24723]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	4.698970004336019	7.301029995663981	2.6020599913279625	Same Family
[P05771, P24723]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	P24723	7.6531365255381765	6.886056647693163	0.7670798778450134	Same Family
[P05771, P24723]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	6.356547323513812	6.585026652029182	0.22847932851536967	Same Family
[P05771, P24723]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	P24723	6.422508200162775	8.698970004336019	2.276461804173244	Same Family
[P05771, P24723]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P05771	P24723	7.534737457680704	8.301029995663981	0.7662925379832775	Same Family
[P05771, P24723]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	5.657577319177793	7.3979400086720375	1.740362689494244	Same Family
[P05771, P24723]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	P05771	P24723	8.0	7.3979400086720375	0.6020599913279625	Same Family
[P05771, P24723]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	5.795880017344075	7.2839966563652006	1.4881166390211256	Same Family
[P05771, P24723]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	6.0	7.698970004336019	1.6989700043360187	Same Family
[P05771, P24723]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P05771	P24723	7.721246399047171	8.698970004336019	0.9777236052888476	Same Family
[P05771, P24723]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05771	P24723	8.25963296001283	7.2839966563652006	0.9756363036476294	Same Family
[P05771, P24723]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	P05771	P24723	7.849485002168009	7.3979400086720375	0.4515449934959719	Same Family
[P05771, P24723]	CN1CCN(CC1)CC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05771	P24723	7.5713337517843655	5.698970004336019	1.8723637474483468	Same Family
[P05771, P24723]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	P05771	P24723	8.301029995663981	7.508638306165727	0.7923916894982543	Same Family
[P05771, P24723]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	P05771	P24723	6.537602002101044	7.795880017344075	1.2582780152430306	Same Family
[P05771, P24723]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	P05771	P24723	4.657577319177793	6.346787486224656	1.6892101670468627	Same Family
[P05771, P24723]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	P05771	P24723	4.657577319177793	3.4436974992327127	1.2138798199450807	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	P05771	P24723	7.6386830387330935	7.376750709602099	0.2619323291309943	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	P05771	P24723	7.849485002168009	7.301029995663981	0.5484550065040281	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	P05771	P24723	7.761439372640169	7.301029995663981	0.46040937697618745	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	P05771	P24723	7.411954370472159	6.301029995663981	1.110924374808178	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	P05771	P24723	7.522878745280337	6.3979400086720375	1.1249387366083	Same Family
[P05771, P24723]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	P05771	P24723	7.522878745280337	6.698970004336019	0.8239087409443187	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	P05771	P24723	8.34948500216801	8.522878745280337	0.17339374311232802	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	P05771	P24723	8.548455006504028	8.698970004336019	0.15051499783199063	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	P05771	P24723	7.849485002168009	8.460409376976187	0.6109243748081781	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	7.349485002168009	9.221848749616356	1.8723637474483468	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	6.512054431799104	7.221848749616356	0.7097943178172521	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	5.541773025725037	8.0	2.4582269742749627	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	5.363847077798956	6.080921907623926	0.7170748298249698	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	5.520002580835792	7.0	1.4799974191642082	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	5.492739730621038	7.096910013008056	1.6041702823870185	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	P05771	P24723	7.750345712914612	8.397940008672037	0.6475942957574254	Same Family
[P05771, P24723]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	P05771	P24723	4.657577319177793	7.301029995663981	2.643452676486188	Same Family
[P05771, P24723]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05771	P24723	6.49506218314392	5.6020599913279625	0.8930021918159579	Same Family
[P05771, P24723]	c1ccc(cc1)S(=O)(=O)NCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	P05771	P24723	7.06304920106777	5.721246399047171	1.3418028020205988	Same Family
[P05771, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	P05771	P24723	7.400122411373262	6.619788758288394	0.7803336530848686	Same Family
[P05771, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	P05771	P24723	7.1386830387330935	6.455931955649724	0.6827510830833692	Same Family
[P05771, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCOCC7	P05771	P24723	7.365010161677338	5.769551078621726	1.5954590830556121	Same Family
[P05771, P24723]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	P05771	P24723	7.394789710072473	6.522878745280337	0.8719109647921357	Same Family
[P05771, P24723]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P05771	P24723	6.062983892535186	7.886056647693163	1.8230727551579768	Same Family
[P05771, P24723]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P05771	P24723	6.179798540514359	8.397940008672037	2.218141468157678	Same Family
[P05771, P24723]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	P05771	P24723	6.08460016478773	8.221848749616356	2.137248584828626	Same Family
[P05771, P24723]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P05771	P24723	6.108462542327436	8.0	1.8915374576725643	Same Family
[P05771, P24723]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P05771	P24723	6.066006836168758	8.301029995663981	2.2350231594952232	Same Family
[P05771, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	Q04759	6.025949097207123	6.85078088734462	0.8248317901374973	Same Family
[P05771, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	P05771	Q04759	6.017276612331455	6.853871964321762	0.8365953519903071	Same Family
[P05771, Q04759]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P05771	Q04759	6.422508200162775	7.259637310505756	0.837129110342981	Same Family
[P05771, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	P05771	Q04759	5.823908740944319	6.992859712983584	1.1689509720392657	Same Family
[P05771, Q04759]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P05771	Q04759	7.721246399047171	8.698970004336019	0.9777236052888476	Same Family
[P05771, Q04759]	CN(C)c1c2ccc(n1)CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCC2)C(=O)NC5=O	P05771	Q04759	5.853871964321762	7.008773924307505	1.154901959985743	Same Family
[P05771, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	P05771	Q04759	4.657577319177793	8.130768280269024	3.4731909610912304	Same Family
[P05771, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	P05771	Q04759	4.657577319177793	7.795880017344075	3.1383026981662816	Same Family
[P05771, Q04759]	Cc1cc2c(cc1NC3CNC3)N4C(C(=O)NN=C4CO2)C	P05771	Q04759	6.2839966563652006	6.875726672773677	0.5917300164084764	Same Family
[P05771, Q04759]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O	P05771	Q04759	8.221848749616356	7.187086643357144	1.0347621062592118	Same Family
[P05771, Q04759]	c1ccc2c(c1)c3cn2CCOCCOCCOCCn4cc(c5c4nccc5)C6=C3C(=O)NC6=O	P05771	Q04759	7.337242168318426	6.078313524516398	1.2589286438020277	Same Family
[P05771, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P05771	Q04759	6.062983892535186	6.87942606879415	0.8164421762589642	Same Family
[P05771, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P05771	Q04759	6.179798540514359	7.113509274827518	0.9337107343131583	Same Family
[P05771, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	P05771	Q04759	6.08460016478773	6.962573502059376	0.8779733372716461	Same Family
[P05771, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P05771	Q04759	6.108462542327436	7.013228265733755	0.9047657234063191	Same Family
[P05771, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P05771	Q04759	6.066006836168758	7.113509274827518	1.0475024386587597	Same Family
[P06493, P50613]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P50613	P06493	7.6777807052660805	7.180456064458132	0.4973246408079488	Same Family
[P06493, P50613]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P50613	P06493	5.555955204081924	6.1095789811990855	0.5536237771171617	Same Family
[P06493, P50613]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P50613	P06493	6.872895201635193	4.853871964321762	2.019023237313431	Same Family
[P06493, P50613]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P06493	5.6259059864969	4.658026434624244	0.967879551872656	Same Family
[P06493, P50613]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P06493	5.556754637413759	4.678273661756906	0.8784809756568528	Same Family
[P06493, P50613]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P06493	5.555349148746845	5.28207781700778	0.2732713317390649	Same Family
[P06493, P50613]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P06493	6.093543321678572	5.48369061957464	0.6098527021039324	Same Family
[P06493, P50613]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P06493	5.891258027893047	4.903437700822769	0.9878203270702777	Same Family
[P06493, P50613]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P50613	P06493	6.096910013008056	5.616005210558267	0.48090480244978906	Same Family
[P06493, P50613]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P50613	P06493	5.823908740944319	5.795880017344075	0.028028723600243666	Same Family
[P06493, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P50613	P06493	5.783834097714007	6.243363891754152	0.4595297940401446	Same Family
[P06493, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P50613	P06493	5.784626847216578	6.244887733604929	0.46026088638835105	Same Family
[P06493, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P50613	P06493	5.726767165956955	6.214670164989233	0.4879029990322783	Same Family
[P06493, P50613]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	P06493	5.846795099915716	6.282329496997738	0.435534397082022	Same Family
[P06493, P50613]	CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F	P50613	P06493	6.705533773838407	6.313363730737707	0.3921700431007	Same Family
[P06493, P50613]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P50613	P06493	6.522878745280337	6.366531544420414	0.1563472008599236	Same Family
[P06493, P50613]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P50613	P06493	6.275724130399211	6.221848749616356	0.0538753807828547	Same Family
[P06493, P50613]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	P06493	5.747632485540101	6.2335871528876	0.4859546673474995	Same Family
[P06493, P50613]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P50613	P06493	7.698970004336019	7.619788758288394	0.07918124604762511	Same Family
[P50613, P50750]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P50613	P50750	7.6777807052660805	7.431798275933005	0.24598242933307546	Same Family
[P50613, P50750]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P50613	P50750	5.555955204081924	6.619788758288394	1.0638335542064699	Same Family
[P50613, P50750]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P50613	P50750	6.872895201635193	5.661543506395395	1.2113516952397978	Same Family
[P50613, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P50750	6.093543321678572	6.97061622231479	0.8770729006362181	Same Family
[P50613, P50750]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P50613	P50750	6.096910013008056	6.638272163982407	0.5413621509743507	Same Family
[P50613, P50750]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P50613	P50750	6.221848749616356	6.698970004336019	0.4771212547196626	Same Family
[P50613, P50750]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P50613	P50750	6.301029995663981	7.366531544420414	1.0655015487564325	Same Family
[P50613, P50750]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P50613	P50750	6.522878745280337	6.346787486224656	0.17609125905568135	Same Family
[P50613, P50750]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P50613	P50750	6.275724130399211	5.6020599913279625	0.6736641390712483	Same Family
[P50613, P50750]	Cc1cnc(nc1c2cnc(s2)Nc3ccccn3)OC4CCCCC4	P50613	P50750	6.721246399047171	7.585026652029182	0.8637802529820107	Same Family
[P50613, P50750]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P50613	P50750	7.698970004336019	8.602059991327963	0.9030899869919438	Same Family
[P11802, P50613]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P50613	P11802	6.872895201635193	4.349692476868063	2.5232027247671294	Different Family
[P11802, P50613]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P11802	5.6259059864969	4.752922702990778	0.8729832835061213	Different Family
[P11802, P50613]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P11802	5.556754637413759	4.593209505715904	0.9635451316978552	Different Family
[P11802, P50613]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P11802	5.555349148746845	5.022878745280337	0.5324704034665073	Different Family
[P11802, P50613]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P11802	6.093543321678572	5.010681525807763	1.0828617958708096	Different Family
[P11802, P50613]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P50613	P11802	5.891258027893047	4.780333653084869	1.110924374808178	Different Family
[P11802, P50613]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P50613	P11802	5.823908740944319	7.508638306165727	1.6847295652214083	Different Family
[P11802, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P50613	P11802	5.783834097714007	7.3979400086720375	1.6141059109580302	Different Family
[P11802, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P50613	P11802	5.784626847216578	7.4089353929735005	1.6243085457569224	Different Family
[P11802, P50613]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P50613	P11802	5.726767165956955	7.376750709602099	1.6499835436451447	Different Family
[P11802, P50613]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	P11802	5.846795099915716	7.455931955649724	1.6091368557340084	Different Family
[P11802, P50613]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P50613	P11802	6.275724130399211	8.036212172654444	1.7604880422552336	Different Family
[P11802, P50613]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	P11802	5.747632485540101	7.3979400086720375	1.6503075231319366	Different Family
[P11802, P50613]	Cc1cnc(nc1c2cnc(s2)Nc3ccccn3)OC4CCCCC4	P50613	P11802	6.721246399047171	7.886056647693163	1.164810248645992	Different Family
[P11802, P50613]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P50613	P11802	7.698970004336019	8.3767507096021	0.6777807052660805	Different Family
[P50613, Q00535]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P50613	Q00535	5.555955204081924	8.301029995663981	2.7450747915820575	Same Family
[P50613, Q00535]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P50613	Q00535	6.872895201635193	5.431798275933005	1.4410969257021877	Same Family
[P50613, Q00535]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P50613	Q00535	6.096910013008056	6.269829265316117	0.17291925230806093	Same Family
[P50613, Q00535]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P50613	Q00535	6.221848749616356	6.494850021680094	0.2730012720637376	Same Family
[P50613, Q00535]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P50613	Q00535	6.301029995663981	7.020479303839453	0.7194493081754718	Same Family
[P50613, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P50613	Q00535	5.783834097714007	5.867740310468956	0.08390621275494858	Same Family
[P50613, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P50613	Q00535	5.784626847216578	5.928854709548917	0.14422786233233875	Same Family
[P50613, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P50613	Q00535	5.726767165956955	5.823330067331851	0.09656290137489609	Same Family
[P50613, Q00535]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	Q00535	5.846795099915716	5.961379838050298	0.1145847381345817	Same Family
[P50613, Q00535]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P50613	Q00535	6.275724130399211	5.522878745280337	0.7528453851188734	Same Family
[P50613, Q00535]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P50613	Q00535	5.747632485540101	5.847711655616943	0.10007917007684242	Same Family
[P50613, Q00535]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P50613	Q00535	7.698970004336019	7.468521082957745	0.2304489213782741	Same Family
[O14757, P50613]	CNC(=O)c1ccc2c(c1)[nH]nc2c3cc4cc(ccc4[nH]3)CN5CCOCC5	P50613	O14757	5.309803919971486	7.886056647693163	2.576252727721677	Different Group
[O14757, P50613]	COC(=O)c1ccc2c(c1)[nH]nc2c3cc4cc(ccc4[nH]3)CN5CCOCC5	P50613	O14757	5.187086643357144	7.2076083105017466	2.0205216671446022	Different Group
[O14757, P50613]	COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4cc5cc(ccc5[nH]4)CN6CCCCC6	P50613	O14757	6.508638306165727	9.602059991327963	3.0934216851622356	Different Group
[O14757, P50613]	Cc1cnnn1c2ccc3c(c2)[nH]nc3c4cc5cc(ccc5[nH]4)CN6CCCCC6	P50613	O14757	6.376750709602099	7.522878745280337	1.1461280356782382	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCC(CC3)F)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(nn[nH]6)CN	P50613	O14757	6.522878745280337	9.958607314841775	3.4357285695614372	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCC(CC3)F)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(nn[nH]6)CO	P50613	O14757	6.7447274948966935	9.522878745280337	2.778151250383644	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO	P50613	O14757	7.251811972993799	9.522878745280337	2.271066772286538	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6cnsc6	P50613	O14757	7.7447274948966935	7.920818753952375	0.17609125905568135	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6nccs6	P50613	O14757	5.3979400086720375	7.318758762624412	1.920818753952375	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)n6ccnn6	P50613	O14757	7.2441251443275085	8.585026652029182	1.3409015077016733	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)n6nccn6	P50613	O14757	6.318758762624412	7.468521082957745	1.1497623203333323	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCOCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N	P50613	O14757	7.958607314841775	7.522878745280337	0.43572856956143724	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCOCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)C(=O)N	P50613	O14757	5.886056647693163	7.920818753952375	2.034762106259212	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCOCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c[nH]nc6	P50613	O14757	7.6020599913279625	8.0	0.3979400086720375	Different Group
[O14757, P50613]	c1cc2c(cc1CN3CCOCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6ccn[nH]6	P50613	O14757	7.468521082957745	7.229147988357856	0.23937309459988843	Different Group
[O14757, P50613]	c1ccc(cc1)c2ccc3c(c2)[nH]nc3c4cc5cc(ccc5[nH]4)CN6CCCCC6	P50613	O14757	5.154901959985743	7.346787486224656	2.191885526238913	Different Group
[O14757, P50613]	c1cnn(c1)c2ccc3c(c2)[nH]nc3c4cc5cc(ccc5[nH]4)CN6CCCCC6	P50613	O14757	5.638272163982407	6.958607314841775	1.3203351508593677	Different Group
[P06493, P50750]	CC(=O)N1CCC(CC1)n2cc(cn2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	P06493	P50750	7.180456064458132	7.431798275933005	0.25134221147487334	Same Family
[P06493, P50750]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P06493	P50750	5.7265357273786535	8.0	2.2734642726213465	Same Family
[P06493, P50750]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P06493	P50750	7.026872146400302	8.522878745280337	1.4960065988800357	Same Family
[P06493, P50750]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P06493	P50750	6.1095789811990855	6.619788758288394	0.5102097770893081	Same Family
[P06493, P50750]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P06493	P50750	4.853871964321762	5.661543506395395	0.8076715420736331	Same Family
[P06493, P50750]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P50750	5.48369061957464	6.97061622231479	1.4869256027401505	Same Family
[P06493, P50750]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P06493	P50750	5.616005210558267	6.638272163982407	1.0222669534241398	Same Family
[P06493, P50750]	CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCCC4CCO	P06493	P50750	7.142667503568732	6.749579997691106	0.39308750587762553	Same Family
[P06493, P50750]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P06493	P50750	6.366531544420414	6.346787486224656	0.019744058195757752	Same Family
[P06493, P50750]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P06493	P50750	6.221848749616356	5.6020599913279625	0.6197887582883936	Same Family
[P06493, P50750]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P06493	P50750	7.619788758288394	8.602059991327963	0.9822712330395689	Same Family
[P06493, P11802]	CC(C(C)(C)O)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F	P06493	P11802	7.770303756120384	7.363847077798956	0.40645667832142784	Different Family
[P06493, P11802]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C)C(F)(F)F)O	P06493	P11802	8.221848749616356	7.537860356969059	0.6839883926472972	Different Family
[P06493, P11802]	CC(C(C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)C3CC3)C(F)(F)F)O	P06493	P11802	7.946395015176066	7.49148333035061	0.45491168482545596	Different Family
[P06493, P11802]	CC(C)(C)C1CCC(CC1)n2c(cc3c2nc(nc3)Nc4ccc(cn4)C(=O)N5CC6CCC(C5)N6)C(=O)N(C)C	P06493	P11802	5.136111509604853	8.07284697909946	2.9367354694946064	Different Family
[P06493, P11802]	CC(C)(C)c1cccc(c1)n2c(cc3c2nc(nc3)Nc4ccc(cn4)C(=O)N5CC6CCC(C5)N6)C(=O)N(C)C	P06493	P11802	5.70071066591232	8.522878745280337	2.8221680793680175	Different Family
[P06493, P11802]	CC(C)C(C(=O)N1C2CCC1CN(C2)C(=O)c3ccc(nc3)Nc4ncc5cc(n(c5n4)C6CCCC6)C(=O)N(C)C)N	P06493	P11802	4.398918272215977	8.0	3.601081727784023	Different Family
[P06493, P11802]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P06493	P11802	8.397940008672037	6.070581074285707	2.3273589343863303	Different Family
[P06493, P11802]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P06493	P11802	4.853871964321762	4.349692476868063	0.5041794874536984	Different Family
[P06493, P11802]	CC1CC2CN1CCn3c(c4cccc(c4n3)-c5c(nc6cccc(c6n5)O2)O)O	P06493	P11802	9.0	8.193820026016112	0.8061799739838875	Different Family
[P06493, P11802]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P11802	4.658026434624244	4.752922702990778	0.09489626836653464	Different Family
[P06493, P11802]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P11802	4.678273661756906	4.593209505715904	0.08506415604100237	Different Family
[P06493, P11802]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P11802	5.28207781700778	5.022878745280337	0.2591990717274424	Different Family
[P06493, P11802]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P11802	5.48369061957464	5.010681525807763	0.47300909376687716	Different Family
[P06493, P11802]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P11802	4.903437700822769	4.780333653084869	0.1231040477379004	Different Family
[P06493, P11802]	CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCCC4CCO	P06493	P11802	7.142667503568732	6.896196279044043	0.24647122452468917	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)C(=O)N5CC6CC(C5)NC6	P06493	P11802	5.2659974832278715	8.173393743112328	2.9073962598844565	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)C(=O)N5CCC6CCC(C5)N6	P06493	P11802	4.895137481858923	8.099469735076072	3.2043322532171494	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CC6CC5CN6	P06493	P11802	5.037630664329979	7.3872161432802645	2.349585478950286	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CC6CCC(N6)CC5=O	P06493	P11802	4.533414095405113	8.095363215290348	3.5619491198852353	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CC6CNCC6C5=O	P06493	P11802	4.8088684840986	8.240743030061056	3.4318745459624562	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CC6CNCC6CC5=O	P06493	P11802	4.725823889300825	8.261439372640169	3.5356154833393436	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCC6(C5=O)CCCN6	P06493	P11802	4.876785573826948	7.721246399047171	2.8444608252202235	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	P06493	P11802	3.9469215565165805	8.0	4.05307844348342	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCC3)Nc4ccc(cn4)C(=O)N5CC6CC5CN6	P06493	P11802	4.983928183265976	8.522878745280337	3.538950562014361	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCC3)Nc4ccc(cn4)N5CC6CCC(N6)CC5=O	P06493	P11802	4.874909286917366	8.059593203859604	3.1846839169422383	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)C(=O)N5CC6CC5CN6	P06493	P11802	5.330543646816331	9.0	3.6694563531836693	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)C(=O)N5CC6CCC(C5)N6	P06493	P11802	5.150887833815423	8.397940008672037	3.2470521748566146	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)C(=O)N5CC6CCC5C6O	P06493	P11802	4.754734160542538	7.6777807052660805	2.923046544723542	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)N5C6CCN(CC6)CC5=O	P06493	P11802	4.96750211714289	7.667561540084395	2.7000594229415054	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)N5CC6CNCC6C5=O	P06493	P11802	5.424848345198869	8.460409376976187	3.035561031777318	Different Family
[P06493, P11802]	CN(C)C(=O)c1cc2cnc(nc2n1C3CCCCCC3)Nc4ccc(cn4)N5CC6CNCC6CC5=O	P06493	P11802	5.390458974854425	8.41195437047216	3.021495395617734	Different Family
[P06493, P11802]	CN1CC2CC1CN(C2)C(=O)c3ccc(nc3)Nc4ncc5cc(n(c5n4)C6CCCC6)C(=O)N(C)C	P06493	P11802	5.073709013115137	8.221848749616356	3.1481397365012196	Different Family
[P06493, P11802]	CN1CC2CN(C(=O)C2C1)c3ccc(nc3)Nc4ncc5cc(n(c5n4)C6CCCC6)C(=O)N(C)C	P06493	P11802	4.848967418243558	8.154901959985743	3.305934541742185	Different Family
[P06493, P11802]	CN1CCC(C(C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O	P06493	P11802	7.522878745280337	7.0	0.5228787452803374	Different Family
[P06493, P11802]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4ccn(c4n3)C5CCCCC5	P06493	P11802	5.795880017344075	7.508638306165727	1.712758288821652	Different Family
[P06493, P11802]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P06493	P11802	6.243363891754152	7.3979400086720375	1.1545761169178856	Different Family
[P06493, P11802]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P06493	P11802	6.244887733604929	7.4089353929735005	1.1640476593685714	Different Family
[P06493, P11802]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P06493	P11802	6.214670164989233	7.376750709602099	1.1620805446128664	Different Family
[P06493, P11802]	COc1ccc(cc1)Nc2c(cnc(n2)Nc3ccc4c(c3)nc[nH]4)C(F)(F)F	P06493	P11802	8.096910013008056	6.941198654154958	1.1557113588530985	Different Family
[P06493, P11802]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P06493	P11802	6.282329496997738	7.455931955649724	1.1736024586519864	Different Family
[P06493, P11802]	COc1ccc2c(c1)C(=Cc3cnc[nH]3)C(=O)N2	P06493	P11802	7.3979400086720375	6.698970004336019	0.6989700043360187	Different Family
[P06493, P11802]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P06493	P11802	6.221848749616356	8.036212172654444	1.8143634230380883	Different Family
[P06493, P11802]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P06493	P11802	6.2335871528876	7.3979400086720375	1.1643528557844371	Different Family
[P06493, P11802]	c1cc(ccc1Nc2ncc(c(n2)Nc3ccc4c(c3)nc[nH]4)C(F)(F)F)Br	P06493	P11802	7.958607314841775	6.252922702990778	1.7056846118509963	Different Family
[P06493, P11802]	c1cc2c(c(c1)NC(=O)Nc3cc(n[nH]3)CNC4Cc5ccc(cc5C4)Cl)C6CCCN6C2=O	P06493	P11802	5.7447274948966935	8.638272163982407	2.8935446690857134	Different Family
[P06493, P11802]	c1cc2c(cc1Nc3c(cnc(n3)Nc4ccc(c(c4)NC#N)NC#N)C(F)(F)F)nc[nH]2	P06493	P11802	8.0	6.49148333035061	1.5085166696493904	Different Family
[P06493, P11802]	c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc4c(c3)nc[nH]4)C(F)(F)F)Cl	P06493	P11802	9.045757490560675	7.5376020021010435	1.5081554884596313	Different Family
[P06493, P11802]	c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O	P06493	P11802	6.913640169325252	7.376750709602099	0.4631105402768476	Different Family
[P06493, P11802]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P06493	P11802	7.619788758288394	8.3767507096021	0.7569619513137056	Different Family
[P06493, Q00535]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P06493	Q00535	5.7265357273786535	5.873868592738016	0.1473328653593624	Same Family
[P06493, Q00535]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P06493	Q00535	7.026872146400302	5.9677842967020185	1.0590878496982832	Same Family
[P06493, Q00535]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	P06493	Q00535	8.221848749616356	8.221848749616356	0.0	Same Family
[P06493, Q00535]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P06493	Q00535	8.397940008672037	7.1249387366083	1.2730012720637376	Same Family
[P06493, Q00535]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P06493	Q00535	6.1095789811990855	8.301029995663981	2.1914510144648958	Same Family
[P06493, Q00535]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P06493	Q00535	4.853871964321762	5.431798275933005	0.5779263116112432	Same Family
[P06493, Q00535]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	P06493	Q00535	5.275724130399211	5.045757490560675	0.22996663983853605	Same Family
[P06493, Q00535]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P06493	Q00535	5.616005210558267	6.269829265316117	0.65382405475785	Same Family
[P06493, Q00535]	CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCCC4CCO	P06493	Q00535	7.142667503568732	7.346787486224656	0.20411998265592413	Same Family
[P06493, Q00535]	COc1cc2cc3c(nc2cc1OC)C4=C(C(=O)CC4CC3O)[Si](C)(C)C	P06493	Q00535	5.769551078621726	5.481486060122113	0.28806501849961297	Same Family
[P06493, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P06493	Q00535	6.243363891754152	5.867740310468956	0.375623581285196	Same Family
[P06493, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P06493	Q00535	6.244887733604929	5.928854709548917	0.3160330240560123	Same Family
[P06493, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P06493	Q00535	6.214670164989233	5.823330067331851	0.3913400976573822	Same Family
[P06493, Q00535]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P06493	Q00535	6.282329496997738	5.961379838050298	0.3209496589474403	Same Family
[P06493, Q00535]	COc1ccc2c(c1)cc3c(n2)C4=C(C(=O)CC4CC3O)[Si](C)(C)C	P06493	Q00535	5.769551078621726	5.3979400086720375	0.3716110699496884	Same Family
[P06493, Q00535]	COc1ccc2cc3c(nc2c1)C4=C(C(=O)CC4CC3O)[Si](C)(C)C	P06493	Q00535	5.795880017344075	5.318758762624412	0.4771212547196626	Same Family
[P06493, Q00535]	C[Si](C)(C)C1=C2c3c(cc4ccccc4n3)C(CC2CC1=O)Cl	P06493	Q00535	5.443697499232713	4.200659450546418	1.2430380486862953	Same Family
[P06493, Q00535]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P06493	Q00535	6.221848749616356	5.522878745280337	0.6989700043360187	Same Family
[P06493, Q00535]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P06493	Q00535	6.2335871528876	5.847711655616943	0.38587549727065706	Same Family
[P06493, Q00535]	c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	P06493	Q00535	8.221848749616356	7.899974269892137	0.3218744797242188	Same Family
[P06493, Q00535]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	P06493	Q00535	6.494850021680094	7.075751490954817	0.580901469274723	Same Family
[P06493, Q00535]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P06493	Q00535	7.619788758288394	7.468521082957745	0.151267675330649	Same Family
[P06493, P28482]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P06493	P28482	5.309803919971486	4.565431095965801	0.7443728240056853	Different Family
[P06493, P28482]	CCC(C(C(C)(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P28482	4.658026434624244	4.465350993942235	0.1926754406820086	Different Family
[P06493, P28482]	CCC(C(C(C)C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P28482	4.678273661756906	4.064301109256258	0.6139725525006483	Different Family
[P06493, P28482]	CCC(C(C)(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P28482	5.28207781700778	4.248445281664315	1.0336325353434646	Different Family
[P06493, P28482]	CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P28482	5.48369061957464	4.668621084159213	0.8150695354154269	Different Family
[P06493, P28482]	CCC(C(CC)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	P06493	P28482	4.903437700822769	4.6006746772773655	0.3027630235454035	Different Family
[P06493, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P06493	P28482	5.948847477552619	5.201349354554731	0.7474981229978876	Different Family
[P06493, P28482]	Cc1c(c(n(n1)C2CCN(CC2)C(=O)C(C)O)C)Nc3ncc(c(n3)c4cnn5c4cccc5)Cl	P06493	P28482	6.366531544420414	6.221848749616356	0.14468279480405766	Different Family
[P06493, P28482]	c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	P06493	P28482	4.522878745280337	5.337242168318426	0.8143634230380883	Different Family
[P06493, P28482]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P06493	P28482	6.060480747381382	4.431798275933005	1.6286824714483767	Different Family
[P06493, P28482]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P06493	P28482	7.657577319177793	5.920818753952375	1.7367585652254185	Different Family
[P06493, P28482]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P06493	P28482	7.0	6.040958607678906	0.9590413923210939	Different Family
[P06493, P30291]	CN(C)CC(Cn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O)O	P06493	P30291	6.6020599913279625	7.236572006437063	0.6345120151091006	Different Group
[P06493, P30291]	CN(C)CCCCc1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5ccccc5Cl	P06493	P30291	6.6020599913279625	7.309892569591396	0.7078325782634334	Different Group
[P06493, P30291]	CN(C)CCCOc1cc2c(cc1O)c3c(n2CCO)cc(c4c3C(=O)NC4=O)c5ccccc5Cl	P06493	P30291	6.6020599913279625	7.7447274948966935	1.142667503568731	Different Group
[P06493, P30291]	CN(C)CCNC(=O)CCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	P06493	P30291	5.886056647693163	7.457989056996664	1.5719324093035008	Different Group
[P06493, P30291]	CNCCCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	P06493	P30291	6.1487416512809245	7.160585175792201	1.011843524511277	Different Group
[P06493, P30291]	CS(=O)(=O)NC(=O)CCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	P06493	P30291	6.6020599913279625	7.920457143142827	1.3183971518148647	Different Group
[P06493, P30291]	Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl	P06493	P30291	8.0	7.238301074441377	0.7616989255586226	Different Group
[P06493, P30291]	Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl	P06493	P30291	7.522878745280337	7.1249387366083	0.3979400086720375	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(c(cc4[nH]3)CCCCN5CCCC5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	6.698970004336019	7.301029995663981	0.6020599913279625	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(c(cc4[nH]3)CCCCN5CCOCC5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	6.6020599913279625	7.430919728918205	0.8288597375902427	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(c(cc4n3CCO)OCCCN5CCCC5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	7.522878745280337	7.619788758288394	0.09691001300805624	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(c(cc4n3CCO)OCCCN5CCOCC5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	6.6020599913279625	7.821891432890132	1.2198314415621692	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O)Cl	P06493	P30291	6.394573317342553	8.047866792018674	1.6532934746761203	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4n3CCN5CCOCC5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	6.185805534974844	7.1938200260161125	1.0080144910412683	Different Group
[P06493, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4n3CCc5[nH]nnn5)O)c6c2C(=O)NC6=O)Cl	P06493	P30291	5.6020599913279625	7.678921132642886	2.0768611413149234	Different Group
[P50750, Q00535]	CC(=O)NC1CCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P50750	Q00535	8.0	5.873868592738016	2.126131407261984	Same Family
[P50750, Q00535]	CC(=O)NC1CCCC(C1)C(=O)Nc2cc(ccn2)c3ccc(cc3OC)F	P50750	Q00535	8.522878745280337	5.9677842967020185	2.555094448578319	Same Family
[P50750, Q00535]	CC(C)c1c2c(c(nc(n2)NCC(C)O)NCc3ccc(cc3)c4ccccn4)[nH]n1	P50750	Q00535	6.619788758288394	8.301029995663981	1.6812412373755876	Same Family
[P50750, Q00535]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P50750	Q00535	5.661543506395395	5.431798275933005	0.22974523046238993	Same Family
[P50750, Q00535]	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	P50750	Q00535	6.638272163982407	6.269829265316117	0.36844289866628976	Same Family
[P50750, Q00535]	CCC(CO)Nc1nc(c2ncc(n2n1)C(C)C)NCc3ccccc3	P50750	Q00535	6.698970004336019	6.494850021680094	0.20411998265592501	Same Family
[P50750, Q00535]	CCC(CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	P50750	Q00535	7.366531544420414	7.020479303839453	0.34605224058096073	Same Family
[P50750, Q00535]	CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCCC4CCO	P50750	Q00535	6.749579997691106	7.346787486224656	0.5972074885335497	Same Family
[P50750, Q00535]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P50750	Q00535	5.6020599913279625	5.522878745280337	0.07918124604762511	Same Family
[P50750, Q00535]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	P50750	Q00535	4.823908740944319	5.0	0.17609125905568135	Same Family
[P50750, Q00535]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P50750	Q00535	8.602059991327963	7.468521082957745	1.1335389083702179	Same Family
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CCN(C)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C	Q13464	P53667	6.856985199745905	6.872895201635193	0.015910001889287706	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	Q13464	P53667	5.621602099051862	7.7447274948966935	2.1231253958448315	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)Cl	Q13464	P53667	5.2280452510360504	7.6020599913279625	2.374014740291912	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccc(cc4)F	Q13464	P53667	5.406713932979542	7.0655015487564325	1.6587876157768902	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)Cl	Q13464	P53667	4.822463500070138	7.173925197299173	2.351461697229035	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4cccc(c4)OC	Q13464	P53667	5.364817951343732	7.0	1.6351820486562678	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4	Q13464	P53667	5.256803918551299	7.366531544420414	2.109727625869115	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)N(CCO)c4ccccc4Cl	Q13464	P53667	5.357535479757878	7.236572006437063	1.8790365266791849	Different Group
[P53667, Q13464]	Cc1c[nH]c2c1c(ncn2)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(=O)NC(C)C	Q13464	P53667	5.891773343625071	7.2076083105017466	1.3158349668766753	Different Group
[P53667, Q13464]	Cc1ccc(cc1)N(CCO)C(=O)Nc2ccc(cc2)c3c4c(c[nH]c4ncn3)C	Q13464	P53667	5.117589315626032	7.431798275933005	2.3142089603069733	Different Group
[P31749, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCC(CO)O	Q13464	P31749	6.6020599913279625	8.522878745280337	1.920818753952375	Different Family
[P31749, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CCN)OCCCN	Q13464	P31749	6.698970004336019	6.100179497572904	0.5987905067631152	Different Family
[P31749, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)c4c[nH]nc4)OCCCN	Q13464	P31749	6.649751981665837	5.5003129173815966	1.1494390642842403	Different Family
[P31749, Q13464]	CCn1c2c(cnc(c2nc1c3c(non3)N)c4ccoc4)OCCCN	Q13464	P31749	6.250263684430939	7.102372908709558	0.8521092242786192	Different Family
[P31749, Q13464]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	Q13464	P31749	8.096910013008056	7.102372908709558	0.9945371042984981	Different Family
[P31749, Q13464]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	Q13464	P31749	8.522878745280337	7.251811972993799	1.271066772286538	Different Family
[P31749, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	Q13464	P31749	8.13557131099318	6.480172006224281	1.655399304768899	Different Family
[P31749, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	Q13464	P31749	7.698970004336019	6.300162274132754	1.3988077302032647	Different Family
[P31749, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	Q13464	P31749	7.3979400086720375	6.199970640755866	1.1979693679161718	Different Family
[P31749, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	Q13464	P31749	8.301029995663981	6.8996294548824375	1.4014005407815437	Different Family
[P31749, Q13464]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	Q13464	P31749	7.0	6.698970004336019	0.30102999566398125	Different Family
[Q13464, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q13464	Q9Y243	5.925976453200333	8.045757490560675	2.119781037360342	Different Family
[Q13464, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCNCC4	Q13464	Q9Y243	5.600326278518962	7.3979400086720375	1.797613730153076	Different Family
[Q13464, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCCN	Q13464	Q9Y243	6.301029995663981	7.161150909262744	0.8601209135987631	Different Family
[Q13464, Q9Y243]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCCCNCCc4ccc(cc4)OC	Q13464	Q9Y243	5.400116927926312	7.795880017344075	2.3957630894177626	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	Q13464	Q9Y243	8.096910013008056	6.400116927926312	1.6967930850817439	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	Q13464	Q9Y243	8.522878745280337	6.42021640338319	2.1026623418971475	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	Q13464	Q9Y243	8.13557131099318	5.889410289700751	2.246161021292429	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	Q13464	Q9Y243	7.698970004336019	5.809948582240794	1.889021422095225	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	Q13464	Q9Y243	7.3979400086720375	5.519993057042849	1.8779469516291885	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	Q13464	Q9Y243	8.301029995663981	5.85078088734462	2.450249108319361	Different Family
[Q13464, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	Q13464	Q9Y243	7.0	6.189767482004916	0.8102325179950842	Different Family
[Q13464, Q9Y243]	c1cc(ccc1C(CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	Q13464	Q9Y243	6.327902142064283	7.9604093769761874	1.6325072349119045	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.638272163982407	5.2076083105017466	2.4306638534806604	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCCc3ccncc3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.075720713938118	4.3979400086720375	2.6777807052660805	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3F)F)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	6.958607314841775	5.301029995663981	1.6575773191777934	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6	Q13464	P34947	7.920818753952375	5.7447274948966935	2.1760912590556813	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccc(cc3)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.301029995663981	5.0915149811213505	2.2095150145426308	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3cccc(c3)F)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.6777807052660805	6.096910013008056	1.5808706922580242	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3cccc(c3)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.013228265733755	5.42021640338319	1.593011862350565	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccc3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.161150909262744	5.327902142064283	1.8332487671984614	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccc3OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.2441251443275085	5.638272163982407	1.6058529803451016	Different Family
[P34947, Q13464]	CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	7.958607314841775	6.42021640338319	1.5383909114585848	Different Family
[P34947, Q13464]	Cc1cccc(c1CCNC(=O)c2cc(ccc2F)C3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	Q13464	P34947	6.537602002101044	4.236572006437063	2.3010299956639813	Different Family
[P34947, Q13464]	Cc1cccc(c1CNC(=O)Cc2cc(ccc2F)C3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	Q13464	P34947	6.346787486224656	4.055517327849832	2.2912701583748243	Different Family
[P34947, Q13464]	Cc1cccc(c1CNC(=O)c2cc(ccc2F)C3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	Q13464	P34947	5.236572006437063	4.200659450546418	1.0359125558906452	Different Family
[P34947, Q13464]	Cc1cccnc1CNC(=O)c2cc(ccc2F)C3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5	Q13464	P34947	6.823908740944319	4.167491087293763	2.6564176536505553	Different Family
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.397940008672037	7.050609993355087	1.3473300153169507	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(c(c2)OC)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.301029995663981	7.619788758288394	0.6812412373755876	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4ncc(=O)[nH]5	P08631	P53778	8.397940008672037	7.455931955649724	0.9420080530223132	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	7.619788758288394	6.497572880015567	1.1222158782728267	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)CS(=O)(=O)NC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.5376020021010435	0.9852767431792939	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)Cl)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	6.037157318798758	6.6252516539898965	0.5880943351911387	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)O)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	7.7447274948966935	7.346787486224656	0.3979400086720375	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c(c3Cl)Cl)Oc4ccnc5c4n(c(=O)[nH]5)C	P08631	P53778	8.397940008672037	7.638272163982407	0.7596678446896306	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	7.657577319177793	6.714442690992226	0.9431346281855673	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)cn6)ncn5	P08631	P53778	6.339134521996131	5.581698708680254	0.757435813315877	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	P08631	P53778	8.522878745280337	7.346787486224656	1.1760912590556813	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)S(=O)(=O)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.327902142064283	1.1949766032160545	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(cc2)SC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.397940008672037	7.130768280269024	1.2671717284030137	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)CO)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.356547323513813	1.1663314217665244	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccc(nc2)OC)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	P08631	P53778	8.301029995663981	6.8996294548824375	1.4014005407815437	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.366531544420414	1.1563472008599236	Different Group
[P08631, P53778]	CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3ccc(c4c3cccn4)Oc5ccnc6c5[nH]c(=O)[nH]6	P08631	P53778	8.154901959985743	6.669586226650809	1.485315733334934	Different Group
[P08631, P53778]	CC(C)n1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	P08631	P53778	8.096910013008056	6.305394801066432	1.7915152119416247	Different Group
[P08631, P53778]	CCn1c2c(ccnc2[nH]c1=O)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccc(cc6)OC)C(C)(C)C	P08631	P53778	8.301029995663981	6.458420756053419	1.842609239610562	Different Group
[P08631, P53778]	Cc1c(=O)[nH]c2c(n1)c(ccn2)Oc3ccc(c4c3cccc4)NC(=O)Nc5cc(nn5c6ccccc6)C(C)(C)C	P08631	P53778	8.522878745280337	7.0	1.5228787452803374	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)(C)c5ccnc(c5)NC(=O)COC	P08631	P53778	5.067932307799278	5.711974464611637	0.6440421568123584	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OC(C)c5ccnc(c5)NC(=O)COC	P08631	P53778	6.09312646527793	6.044793462458058	0.04833300281987185	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)N	P08631	P53778	6.081445469449727	5.822752163744377	0.25869330570535	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)C	P08631	P53778	7.086186147616283	6.012333735073725	1.073852412542558	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)COC	P08631	P53778	6.785156151952302	6.189095719331299	0.5960604326210026	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccnc(c5)NC(=O)NC	P08631	P53778	7.585026652029182	6.772113295386326	0.8129133566428557	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5	P08631	P53778	6.045275209020937	6.671620396561262	0.6263451875403252	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5N	P08631	P53778	6.204119982655925	6.228412519118745	0.024292536462819925	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)C	P08631	P53778	6.31695296176115	6.1979107421182675	0.11904221964288286	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCc5ccncc5NC(=O)COC	P08631	P53778	5.951946826884391	6.450996737974212	0.49904991108982166	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCn5ccnc5	P08631	P53778	5.306536872780469	5.688246138944246	0.3817092661637771	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)N(C)C(=O)COC	P08631	P53778	5.06183065360968	5.6129662987176365	0.5511356451079568	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)C	P08631	P53778	7.292429823902063	6.709965388637482	0.5824644352645816	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN(C)C	P08631	P53778	6.705533773838407	6.336299074610352	0.36923469922805463	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CN6CCOCC6	P08631	P53778	6.728158393463501	6.453457336521869	0.27470105694163216	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CS(=O)(=O)C	P08631	P53778	6.958607314841775	7.259637310505756	0.30102999566398125	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)CSC	P08631	P53778	6.681936665037238	6.8297382846050425	0.14780161956780447	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)Cc6ccccc6	P08631	P53778	6.1598939055432425	6.422508200162775	0.26261429461953245	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NC(=O)c6ccccc6	P08631	P53778	4.876442341996051	5.077845674768941	0.20140333277289013	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCc5ccnc(c5)NS(=O)(=O)C	P08631	P53778	5.669383332705562	6.518557371497695	0.8491740387921336	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5c6c([nH]c(=O)[nH]6)ncn5	P08631	P53778	7.443697499232713	6.268411234813262	1.1752862644194515	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc(c5)NC(=O)COC	P08631	P53778	8.522878745280337	6.46344155742847	2.0594371878518674	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5n(c(=O)[nH]6)C	P08631	P53778	8.698970004336019	7.619788758288394	1.079181246047625	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5nc(c(=O)[nH]6)C	P08631	P53778	8.301029995663981	7.00436480540245	1.296665190261531	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.142667503568732	1.3802112417116055	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.397940008672037	7.4089353929735005	0.989004615698537	Different Group
[P08631, P53778]	Cc1ccc(cc1)n2c(cc(n2)C3(CC3)C)NC(=O)Nc4ccc(c5c4cccc5)Oc6ccnc7c6ncc(=O)[nH]7	P08631	P53778	8.397940008672037	7.721246399047171	0.6766936096248664	Different Group
[P08631, P53778]	Cc1ccc(s1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)Oc5ccnc6c5ncc(=O)[nH]6	P08631	P53778	8.522878745280337	7.3872161432802645	1.1356626020000729	Different Group
[P11802, Q00535]	CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P11802	Q00535	6.070581074285707	7.1249387366083	1.0543576623225928	Different Family
[P11802, Q00535]	CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN	P11802	Q00535	4.349692476868063	5.431798275933005	1.0821057990649416	Different Family
[P11802, Q00535]	CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)[O-])N4CCCCC4CCO	P11802	Q00535	6.896196279044043	7.346787486224656	0.4505912071806133	Different Family
[P11802, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)Cl)c4ccccc4	P11802	Q00535	7.3979400086720375	5.867740310468956	1.5301996982030817	Different Family
[P11802, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccc(cc3)F)c4ccccc4	P11802	Q00535	7.4089353929735005	5.928854709548917	1.4800806834245837	Different Family
[P11802, Q00535]	COc1ccc(cc1)NC(=S)NC(=O)c2cn(nc2c3ccccc3)c4ccccc4	P11802	Q00535	7.376750709602099	5.823330067331851	1.5534206422702486	Different Family
[P11802, Q00535]	COc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P11802	Q00535	7.455931955649724	5.961379838050298	1.4945521175994267	Different Family
[P11802, Q00535]	Cc1cc(nc(n1)OC2CCCCC2)c3cnc(s3)Nc4cnc(cn4)CN5CCN(CC5)C	P11802	Q00535	8.036212172654444	5.522878745280337	2.513333427374107	Different Family
[P11802, Q00535]	Cc1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)NC(=S)Nc4ccc(cc4)OC	P11802	Q00535	7.3979400086720375	5.847711655616943	1.5502283530550942	Different Family
[P11802, Q00535]	c1ccnc(c1)Nc2ncc(s2)c3ccnc(n3)OC4CCCCC4	P11802	Q00535	8.3767507096021	7.468521082957745	0.9082296266443546	Different Family
[P27361, P28482]	CC(CNC(=O)c1ccc2c(c1)c(n[nH]2)c3ccncc3)Oc4ccccc4	P27361	P28482	6.892790030352131	7.413412695328245	0.5206226649761136	Same Family
[P27361, P28482]	CC(c1cccc(c1)Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4cc(c(c(c4)F)O)F	P27361	P28482	7.490797477668897	7.649751981665837	0.15895450399693978	Same Family
[P27361, P28482]	CC(c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	7.444905551421681	7.777283528852417	0.3323779774307356	Same Family
[P27361, P28482]	CC1CC=CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O	P27361	P28482	5.853871964321762	5.5147311704332145	0.33914079388854734	Same Family
[P27361, P28482]	CCC(c1cccc(c1)Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	7.104025267640935	7.229884705212898	0.12585943757196283	Same Family
[P27361, P28482]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P27361	P28482	7.7423214251308154	6.960585880823863	0.7817355443069527	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	P27361	P28482	7.327902142064283	8.346787486224656	1.0188853441603731	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	P27361	P28482	7.455931955649724	8.154901959985743	0.6989700043360187	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)OC)C2=O)c5ccccc5	P27361	P28482	7.6777807052660805	7.6777807052660805	0.0	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	P27361	P28482	7.638272163982407	7.638272163982407	0.0	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	P27361	P28482	7.619788758288394	8.455931955649724	0.8361431973613307	Same Family
[P27361, P28482]	COc1ccc(cc1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	P27361	P28482	7.366531544420414	7.050609993355087	0.31592155106532704	Same Family
[P27361, P28482]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	P27361	P28482	7.638272163982407	8.638272163982407	1.0	Same Family
[P27361, P28482]	COc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	P27361	P28482	7.119186407719209	8.366531544420413	1.2473451367012043	Same Family
[P27361, P28482]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccc(cc4)Cl)C2=O)c5ccccc5	P27361	P28482	7.022276394711152	8.337242168318426	1.3149657736072733	Same Family
[P27361, P28482]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4cccc(c4)Cl)C2=O)c5ccccc5	P27361	P28482	7.050609993355087	8.468521082957745	1.4179110896026579	Same Family
[P27361, P28482]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4)C2=O)c5ccccc5	P27361	P28482	7.187086643357144	7.267606240177032	0.08051959681988752	Same Family
[P27361, P28482]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4Cl)C2=O)c5ccccc5	P27361	P28482	7.060480747381382	8.275724130399212	1.21524338301783	Same Family
[P27361, P28482]	COc1cccc(c1)N2C(=NC(=Cc3ccc(cc3)OCC(=O)Nc4ccccc4OC)C2=O)c5ccccc5	P27361	P28482	7.337242168318426	8.327902142064282	0.9906599737458563	Same Family
[P27361, P28482]	COc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	P27361	P28482	7.2441251443275085	8.267606240177031	1.0234810958495224	Same Family
[P27361, P28482]	Cc1cc(ccn1)c2c3cc(ccc3[nH]n2)C(=O)NC(C)c4c(cnc(c4Cl)Cl)Cl	P27361	P28482	7.653647025549361	7.87942606879415	0.22577904324478926	Same Family
[P27361, P28482]	Cc1cc(ccn1)c2c3cc(ccc3[nH]n2)C(=O)NC(C)c4c(cncc4Cl)Cl	P27361	P28482	7.533132379645891	7.777283528852417	0.2441511492065258	Same Family
[P27361, P28482]	Cc1cc(ccn1)c2c3cc(ccc3[nH]n2)C(=O)NC(CO)c4cccc(c4)Cl	P27361	P28482	7.272458742971444	7.747146969020107	0.4746882260486629	Same Family
[P27361, P28482]	Cc1cc(ccn1)c2c3cc(ccc3[nH]n2)C(=O)NCc4c(cnc(c4Cl)Cl)Cl	P27361	P28482	7.777283528852417	8.102372908709558	0.3250893798571415	Same Family
[P27361, P28482]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	P27361	P28482	7.638272163982407	7.366531544420414	0.27174061956199314	Same Family
[P27361, P28482]	Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	P27361	P28482	7.6020599913279625	8.494850021680094	0.8927900303521312	Same Family
[P27361, P28482]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	P27361	P28482	7.050609993355087	7.107905397309519	0.057295403954432444	Same Family
[P27361, P28482]	Cc1cccc(c1)NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	P27361	P28482	7.698970004336019	7.366531544420414	0.33243845991560494	Same Family
[P27361, P28482]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5ccc(cc5)OC	P27361	P28482	7.494850021680094	7.638272163982407	0.1434221423023132	Same Family
[P27361, P28482]	Cc1ccccc1NC(=O)COc2ccc(cc2)C=C3C(=O)N(C(=N3)c4ccccc4)c5cccc(c5)OC	P27361	P28482	7.366531544420414	7.356547323513813	0.009984220906600783	Same Family
[P27361, P28482]	Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	P27361	P28482	5.358922686674625	6.269217724333611	0.9102950376589858	Same Family
[P27361, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P27361	P28482	4.221848749616356	4.327902142064283	0.10605339244792678	Same Family
[P27361, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P27361	P28482	4.431798275933005	4.42021640338319	0.011581872549815131	Same Family
[P27361, P28482]	c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	P27361	P28482	5.6047784794264865	6.707743928643524	1.102965449217037	Same Family
[P27361, P28482]	c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)OC(=O)c9cc(c(c(c9)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O	P27361	P28482	5.3923305633117575	6.732828271596986	1.3404977082852287	Same Family
[P27361, P28482]	c1cc(cc(c1)Cl)C(CO)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(c(c4)F)O	P27361	P28482	6.954677021213342	7.482804102050026	0.5281270808366836	Same Family
[P27361, P28482]	c1cc(cc(c1)Cl)C(CO)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccnc(c4)N	P27361	P28482	7.174573882232177	7.806875401645538	0.6323015194133612	Same Family
[P27361, P28482]	c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	7.129596094720973	7.8996294548824375	0.7700333601614648	Same Family
[P27361, P28482]	c1cc2c(cc(c(c2nc1)O)I)I	P27361	P28482	5.278684119394101	6.531652669587842	1.2529685501937413	Same Family
[P27361, P28482]	c1cc2c(cc1C(=O)NCc3c(cncc3Cl)Cl)c(n[nH]2)c4ccncc4	P27361	P28482	7.255707016877324	8.031517051446064	0.7758100345687406	Same Family
[P27361, P28482]	c1cc2c(cc1C(=O)NCc3ccc(c(c3Cl)F)Cl)c(n[nH]2)c4ccncc4	P27361	P28482	7.534617148551582	7.924453038607469	0.38983589005588737	Same Family
[P27361, P28482]	c1cc2c(cc1C(=O)NCc3ccnc(c3)Cl)c(n[nH]2)c4ccncc4	P27361	P28482	7.578396073130169	7.647817481888637	0.06942140875846814	Same Family
[P27361, P28482]	c1ccc(c(c1)CNC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4)Cl	P27361	P28482	7.334419008982047	7.504455662453552	0.17003665347150498	Same Family
[P27361, P28482]	c1ccc(cc1)CCCNC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	7.367542707815276	7.471083299722345	0.10354059190706888	Same Family
[P27361, P28482]	c1ccc(cc1)CCNC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	7.412289034981089	7.712198270069774	0.29990923508868583	Same Family
[P27361, P28482]	c1ccc(cc1)CNC(=O)c2ccc3c(c2)c(n[nH]3)c4ccncc4	P27361	P28482	6.97469413473523	7.295849483160201	0.3211553484249716	Same Family
[P27361, P28482]	c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CCC(C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7	P27361	P28482	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[P15056, P27361]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P27361	P15056	5.557706710078303	8.200030365288617	2.6423236552103138	Different Group
[P15056, P27361]	CCn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCC4=NO	P27361	P15056	7.7447274948966935	9.244125144327509	1.499397649430815	Different Group
[P15056, P27361]	CN(C)CCCn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCC4=NO	P27361	P15056	6.913640169325252	9.327902142064282	2.4142619727390304	Different Group
[P15056, P27361]	CN(C)CCn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCC4=NO	P27361	P15056	6.2168113089247425	8.39577394691553	2.1789626379907867	Different Group
[P15056, P27361]	CN1CCC(CC1)n2cc(c(n2)c3ccncc3)c4ccc5c(c4)CCC5=NO	P27361	P15056	8.0	9.468521082957745	1.4685210829577446	Different Group
[P15056, P27361]	CNC1CCCC(C1)n2cc(c(n2)c3ccncc3)c4ccc5c(c4)CCC5=NO	P27361	P15056	7.7447274948966935	9.638272163982407	1.8935446690857134	Different Group
[P15056, P27361]	COCCn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCC4=NO	P27361	P15056	6.244887733604929	8.935542010773082	2.6906542771681528	Different Group
[P15056, P27361]	Cc1c[nH]nc1c2ccc(cc2)c3cn(nc3c4ccncc4)C	P27361	P15056	4.7447274948966935	8.356547323513812	3.6118198286171186	Different Group
[P15056, P27361]	Cn1c(c(cn1)c2ccc3c(c2)CCC3=NO)c4ccncc4	P27361	P15056	6.782516055786093	9.318758762624412	2.536242706838319	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccnc(c2)N)c3ccc4c(c3)CCC4=NO	P27361	P15056	6.0	8.67778070526608	2.6777807052660805	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccnc(c2)O)c3ccc4c(c3)CCC4=NO	P27361	P15056	6.096910013008056	8.537602002101044	2.440691989092988	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccncc2)c3ccc(cc3)C(=NO)N	P27361	P15056	4.698970004336019	7.735182176990463	3.0362121726544444	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccncc2)c3ccc-4c(c3)Cc5c4n[nH]c5	P27361	P15056	5.721246399047171	8.823908740944319	3.1026623418971475	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCC4=NO	P27361	P15056	7.481486060122113	10.698970004336019	3.217483944213906	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)CCNC4=NO	P27361	P15056	5.0	7.795880017344075	2.795880017344075	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2ccncn2)c3ccc4c(c3)CCC4=NO	P27361	P15056	5.823908740944319	8.508638306165727	2.6847295652214083	Different Group
[P15056, P27361]	Cn1cc(c(n1)c2cnco2)c3ccc4c(c3)CCC4=NO	P27361	P15056	5.619788758288394	8.387216143280265	2.767427384991871	Different Group
[P15056, P27361]	c1cc2c(cc1c3c[nH]nc3c4ccncc4)CCC2=NO	P27361	P15056	7.275724130399211	9.823908740944319	2.548184610545108	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)C(CO)CO)CCC2=NO	P27361	P15056	6.767003889607846	9.2518119729938	2.4848080833859534	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)C5CCCC(C5)O)CCC2=NO	P27361	P15056	7.9622265193037345	10.221848749616356	2.2596222303126217	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)C5CCCC5)CCC2=NO	P27361	P15056	7.2441251443275085	8.460923901207224	1.2167987568797152	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)C5CCOCC5)CCC2=NO	P27361	P15056	7.318758762624412	9.657577319177793	2.338818556553381	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CC(CO)O)CCC2=NO	P27361	P15056	7.657577319177793	9.060480747381382	1.4029034282035884	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CC5CCCNC5)CCC2=NO	P27361	P15056	6.812479279163537	9.070581074285707	2.25810179512217	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CC5CCNCC5)CCC2=NO	P27361	P15056	6.478861916295964	8.920818753952375	2.441956837656411	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CCCN)CCC2=NO	P27361	P15056	7.698970004336019	9.4089353929735	1.7099653886374817	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CCCO)CCC2=NO	P27361	P15056	7.585026652029182	10.301029995663981	2.7160033436347994	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CCN)CCC2=NO	P27361	P15056	6.924453038607469	8.619788758288394	1.6953357196809247	Different Group
[P15056, P27361]	c1cc2c(cc1c3cn(nc3c4ccncc4)CCO)CCC2=NO	P27361	P15056	7.200659450546419	9.886056647693163	2.6853971971467443	Different Group
[Q02156, Q05513]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05513	Q02156	5.031517051446065	6.4089353929735005	1.3774183415274353	Same Family
[Q02156, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q05513	Q02156	4.481486060122113	6.853871964321762	2.372385904199649	Same Family
[Q02156, Q05513]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)NC5CNC5	Q05513	Q02156	5.070581074285707	6.337242168318426	1.2666610940327185	Same Family
[Q02156, Q05513]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05513	Q02156	5.154901959985743	6.3979400086720375	1.2430380486862944	Same Family
[Q02156, Q05513]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05513	Q02156	5.301029995663981	7.301029995663981	2.0	Same Family
[Q02156, Q05513]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05513	Q02156	4.657577319177793	5.958607314841775	1.3010299956639813	Same Family
[Q02156, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05513	Q02156	5.3979400086720375	6.3979400086720375	1.0	Same Family
[Q02156, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05513	Q02156	5.045757490560675	6.045757490560675	1.0	Same Family
[Q02156, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05513	Q02156	5.096910013008056	6.522878745280337	1.4259687322722812	Same Family
[Q02156, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05513	Q02156	5.3979400086720375	6.0	0.6020599913279625	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05513	Q02156	5.530740137411754	7.522878745280337	1.9921386078685837	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CO)O)C(=O)O	Q05513	Q02156	4.4387282379656225	6.690453334686628	2.251725096721006	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05513	Q02156	5.920818753952375	8.0	2.079181246047625	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05513	Q02156	4.849485002168009	6.911954370472159	2.06246936830415	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05513	Q02156	4.657577319177793	7.301029995663981	2.643452676486188	Same Family
[Q02156, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05513	Q02156	3.9172146296835497	5.229147988357856	1.3119333586743065	Same Family
[Q02156, Q05513]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05513	Q02156	4.267606240177032	4.2441251443275085	0.023481095849523292	Same Family
[Q02156, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05513	Q02156	4.259637310505756	5.42021640338319	1.160579092877434	Same Family
[Q02156, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05513	Q02156	5.060480747381382	4.102372908709558	0.9581078386718236	Same Family
[P24723, Q05513]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05513	P24723	5.031517051446065	6.886056647693163	1.8545395962470979	Same Family
[P24723, Q05513]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q05513	P24723	6.663940722133651	8.301029995663981	1.6370892735303304	Same Family
[P24723, Q05513]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q05513	P24723	5.154901959985743	7.3979400086720375	2.2430380486862944	Same Family
[P24723, Q05513]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q05513	P24723	5.301029995663981	7.3979400086720375	2.0969100130080562	Same Family
[P24723, Q05513]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q05513	P24723	4.657577319177793	7.508638306165727	2.8510609869879335	Same Family
[P24723, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q05513	P24723	5.3979400086720375	7.301029995663981	1.9030899869919438	Same Family
[P24723, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q05513	P24723	5.045757490560675	7.301029995663981	2.2552725051033065	Same Family
[P24723, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q05513	P24723	5.096910013008056	6.3979400086720375	1.3010299956639813	Same Family
[P24723, Q05513]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q05513	P24723	5.3979400086720375	6.698970004336019	1.3010299956639813	Same Family
[P24723, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q05513	P24723	5.530740137411754	8.522878745280337	2.9921386078685837	Same Family
[P24723, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q05513	P24723	5.920818753952375	8.698970004336019	2.778151250383644	Same Family
[P24723, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q05513	P24723	4.849485002168009	8.460409376976187	3.610924374808178	Same Family
[P24723, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05513	P24723	4.657577319177793	9.221848749616356	4.564271430438563	Same Family
[P24723, Q05513]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q05513	P24723	3.9172146296835497	7.0	3.0827853703164503	Same Family
[P24723, Q05513]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q05513	P24723	4.267606240177032	5.6020599913279625	1.3344537511509307	Same Family
[P24723, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN	Q05513	P24723	4.356547323513813	6.619788758288394	2.2632414347745806	Same Family
[P24723, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q05513	P24723	4.259637310505756	6.455931955649724	2.1962946451439684	Same Family
[P24723, Q05513]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q05513	P24723	5.060480747381382	6.522878745280337	1.4623979978989556	Same Family
[Q14164, Q9UHD2]	CC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	5.170696227168975	5.968333320524126	0.7976370933551511	Different Family
[Q14164, Q9UHD2]	CC(C)(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	6.303643611266668	7.299299729609228	0.9956561183425601	Different Family
[Q14164, Q9UHD2]	CC(C)(CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2)CO	Q14164	Q9UHD2	6.481486060122113	6.933230545814891	0.45174448569277814	Different Family
[Q14164, Q9UHD2]	CC(C)CCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	5.756961951313706	6.9762846799222284	1.2193227286085229	Different Family
[Q14164, Q9UHD2]	CC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	6.5638373529592435	7.272653775380261	0.7088164224210178	Different Family
[Q14164, Q9UHD2]	CC(C)CNC(=O)c1csc(n1)c2cnc3c(c2NCCCNC(=O)C4CCCC4)nc([nH]3)c5ccc(cc5)OC	Q14164	Q9UHD2	5.490797477668897	6.651979152378962	1.1611816747100647	Different Family
[Q14164, Q9UHD2]	CCC(C)CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	5.962573502059376	6.855082939257484	0.8925094371981075	Different Family
[Q14164, Q9UHD2]	CNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	5.591760034688151	6.3812872010011	0.7895271663129488	Different Family
[Q14164, Q9UHD2]	CNc1c(cnc2c1nc([nH]2)c3ccc(cc3)OC)c4ccc(s4)C(=O)O	Q14164	Q9UHD2	5.481486060122113	5.982966660701219	0.5014806005791064	Different Family
[Q14164, Q9UHD2]	COCCNC(=O)c1cc(cs1)c2cc3c([nH]c(n3)c4ccc(cc4)OC)nc2	Q14164	Q9UHD2	6.3851027839668655	6.889162501464615	0.5040597174977499	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCC4	Q14164	Q9UHD2	7.6777807052660805	8.309894379144197	0.6321136738781163	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4CCCC4	Q14164	Q9UHD2	7.119186407719209	8.048455006504028	0.9292685987848195	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)C(=S)N)NCCCNC(=O)C4CCCC4	Q14164	Q9UHD2	6.348721986001856	7.0598791120522595	0.711157126050403	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4cc(sc4)C(=O)O)OCCCNC(=O)C5CCCC5	Q14164	Q9UHD2	5.958607314841775	6.337242168318426	0.37863485347665105	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)c4nc(cs4)C(=O)N)NCCCNC(=O)C5CCCC5	Q14164	Q9UHD2	7.376750709602099	8.100329725273209	0.7235790156711097	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(co4)C(=O)O	Q14164	Q9UHD2	4.935542010773082	5.978810700930062	1.0432686901569799	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(cs4)C(=O)O	Q14164	Q9UHD2	6.403402904373539	6.889410289700751	0.48600738532721177	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(sc4)C(=O)N	Q14164	Q9UHD2	6.688246138944246	7.047371975625774	0.3591258366815282	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4cc(sc4)C(=O)O	Q14164	Q9UHD2	6.943095148663527	7.309803919971486	0.36670877130795887	Different Family
[Q14164, Q9UHD2]	COc1ccc(cc1)c2[nH]c3c(n2)cc(cn3)c4ccc(s4)C(=O)O	Q14164	Q9UHD2	6.06198090252379	6.59176003468815	0.5297791321643599	Different Family
[P29597, Q9UM73]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P29597	Q9UM73	9.221848749616356	7.948515197953478	1.273333551662878	Different Group
[P29597, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P29597	Q9UM73	8.301029995663981	6.844663962534939	1.4563660331290427	Different Group
[P29597, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P29597	Q9UM73	5.173925197299174	5.638272163982407	0.46434696668323294	Different Group
[P29597, Q9UM73]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P29597	Q9UM73	5.823908740944319	6.119186407719209	0.29527766677489	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCCc4cccc(c4)OCC2)Cl	P29597	Q9UM73	7.275724130399211	5.910094888560602	1.365629241838609	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(cc(c4)Br)OCCC2)Cl	P29597	Q9UM73	6.826813731587726	6.552841968657781	0.2739717629299454	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cc(ccc4Br)OCCC2)Cl	P29597	Q9UM73	6.522878745280337	5.086186147616283	1.436692597664054	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCC2)Cl	P29597	Q9UM73	7.455931955649724	5.815308569182402	1.6406233864673228	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)Nc3ncc(c(n3)NCc4cccc(c4)OCCC2)Cl	P29597	Q9UM73	7.6020599913279625	6.151195298948196	1.4508646923797661	Different Group
[P29597, Q9UM73]	c1cc2cc(c1)OCCOc3cccc(c3)Nc4ncc(c(n4)NC2)Cl	P29597	Q9UM73	7.366531544420414	5.688246138944246	1.678285405476168	Different Group
[O14965, P29597]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P29597	O14965	9.221848749616356	8.160579629225387	1.0612691203909694	Different Group
[O14965, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	P29597	O14965	4.844663962534939	6.30715308072277	1.4624891181878317	Different Group
[O14965, P29597]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	P29597	O14965	6.123205023799299	6.35261702988538	0.22941200608608092	Different Group
[O14965, P29597]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P29597	O14965	6.39040559077478	7.366531544420414	0.9761259536456341	Different Group
[O14965, P29597]	Cn1c2cnc3c(c2c(n1)C4CCCCC4)cc[nH]3	P29597	O14965	6.522878745280337	6.468521082957745	0.05435766232259276	Different Group
[O14965, P29597]	c1c[nH]c2c1c3c(cn2)CCCN3C4CCCCC4	P29597	O14965	6.275724130399211	5.494850021680094	0.7808741087191171	Different Group
[O14965, P29597]	c1c[nH]c2c1c3c(cn2)[nH]nc3C4CCCCC4	P29597	O14965	7.301029995663981	6.886056647693163	0.4149733479708182	Different Group
[O14965, P29597]	c1c[nH]c2c1c3c(cn2)onc3C4CCCCC4	P29597	O14965	7.221848749616356	6.2441251443275085	0.9777236052888476	Different Group
[O14965, P29597]	c1c[nH]c2c1n3c(cn2)nnc3C4CCCCC4	P29597	O14965	5.920818753952375	4.815308569182402	1.1055101847699733	Different Group
[O14965, P29597]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P29597	O14965	5.823908740944319	5.508638306165727	0.31527043477859173	Different Group
[O14965, P29597]	c1cc(n2c1cnc3c2cc[nH]3)C4CCCCC4	P29597	O14965	5.318758762624412	7.522878745280337	2.204119982655925	Different Group
[P24723, Q02156]	CC(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	6.886056647693163	7.853871964321762	0.9678153166285988	Same Family
[P24723, Q02156]	CC(C)(C)C(=O)OCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	7.468521082957745	8.397940008672037	0.9294189257142929	Same Family
[P24723, Q02156]	CC(C)(C)OC(=O)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q02156	P24723	5.221848749616356	5.096910013008056	0.1249387366082999	Same Family
[P24723, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	Q02156	P24723	6.8326826652518236	7.221848749616356	0.3891660843645326	Same Family
[P24723, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q02156	P24723	7.7447274948966935	8.045757490560675	0.30102999566398125	Same Family
[P24723, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	Q02156	P24723	7.327902142064283	7.823908740944319	0.49600659888003573	Same Family
[P24723, Q02156]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q02156	P24723	7.2076083105017466	7.7447274948966935	0.537119184394947	Same Family
[P24723, Q02156]	CC(C)COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	5.494850021680094	7.301029995663981	1.8061799739838875	Same Family
[P24723, Q02156]	CC(C)N1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q02156	P24723	6.4089353929735005	6.886056647693163	0.4771212547196626	Same Family
[P24723, Q02156]	CC(C)OC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	4.886056647693163	6.585026652029182	1.6989700043360187	Same Family
[P24723, Q02156]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q02156	P24723	8.301029995663981	8.698970004336019	0.3979400086720375	Same Family
[P24723, Q02156]	CCCCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	5.431798275933005	7.3979400086720375	1.9661417327390325	Same Family
[P24723, Q02156]	CCN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5cn(c6c5cccc6)C	Q02156	P24723	6.3979400086720375	7.3979400086720375	1.0	Same Family
[P24723, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	6.180456064458132	7.2839966563652006	1.1035405919070689	Same Family
[P24723, Q02156]	CCOC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	5.886056647693163	7.698970004336019	1.8129133566428557	Same Family
[P24723, Q02156]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q02156	P24723	7.6777807052660805	8.698970004336019	1.0211892990699383	Same Family
[P24723, Q02156]	CN(C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q02156	P24723	6.221848749616356	7.2839966563652006	1.0621479067488444	Same Family
[P24723, Q02156]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	Q02156	P24723	7.619788758288394	7.468521082957745	0.151267675330649	Same Family
[P24723, Q02156]	CN1CCC(CC1)n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	Q02156	P24723	7.301029995663981	7.3979400086720375	0.09691001300805624	Same Family
[P24723, Q02156]	CNCC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	Q02156	P24723	5.958607314841775	7.508638306165727	1.5500309913239523	Same Family
[P24723, Q02156]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	Q02156	P24723	7.102372908709558	7.031517051446065	0.07085585726349297	Same Family
[P24723, Q02156]	COC(=O)c1cccc(c1C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)O	Q02156	P24723	6.769551078621726	7.795880017344075	1.026328938722349	Same Family
[P24723, Q02156]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q02156	P24723	7.267606240177032	6.346787486224656	0.9208187539523758	Same Family
[P24723, Q02156]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q02156	P24723	4.022276394711152	3.4436974992327127	0.5785788954784397	Same Family
[P24723, Q02156]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	Q02156	P24723	6.876148359032914	7.2839966563652006	0.40784829733228634	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(C6)Cc7ccccc7	Q02156	P24723	5.026872146400302	7.376750709602099	2.3498785632017976	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)C	Q02156	P24723	6.3979400086720375	7.301029995663981	0.9030899869919438	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)CC7CC7	Q02156	P24723	6.045757490560675	7.301029995663981	1.2552725051033065	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccc7	Q02156	P24723	5.3979400086720375	6.301029995663981	0.9030899869919438	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7	Q02156	P24723	6.522878745280337	6.3979400086720375	0.1249387366082999	Same Family
[P24723, Q02156]	Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCNCC6	Q02156	P24723	6.0	6.698970004336019	0.6989700043360187	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)CN)O)C(=O)O	Q02156	P24723	7.522878745280337	8.522878745280337	1.0	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)N)O)C(=O)O	Q02156	P24723	8.0	8.698970004336019	0.6989700043360187	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CC(CC3NC(=O)c4ccc(cc4)O)O)O)C(=O)O	Q02156	P24723	6.911954370472159	8.460409376976187	1.5484550065040281	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	7.301029995663981	9.221848749616356	1.920818753952375	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCCCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	6.552841968657781	7.221848749616356	0.6690067809585756	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCOCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	4.795880017344075	8.0	3.204119982655925	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCS(=O)(=O)CC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	4.346787486224656	6.080921907623926	1.7341344213992702	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCSCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	5.229147988357856	7.0	1.7708520116421438	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	5.7447274948966935	7.096910013008056	1.3521825181113627	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)O	Q02156	P24723	8.0	8.397940008672037	0.3979400086720375	Same Family
[P24723, Q02156]	c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CNCC3NC(=O)c4ccc(cc4)O)O)C(=O)OCC5CCCCC5	Q02156	P24723	4.6020599913279625	7.301029995663981	2.6989700043360187	Same Family
[P24723, Q02156]	c1cc2c(cc(nc2NCCN)c3ccncc3)nc1	Q02156	P24723	6.031984286006359	6.396855627379818	0.3648713413734592	Same Family
[P24723, Q02156]	c1ccc(cc1)CC(CNc2c3ccncc3cc(n2)c4ccncc4)N	Q02156	P24723	6.394694953858891	6.3448615651886175	0.049833388670273315	Same Family
[P24723, Q02156]	c1ccc(cc1)CNCC2CCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCO2)C(=O)NC5=O	Q02156	P24723	4.2441251443275085	5.6020599913279625	1.357934847000454	Same Family
[P24723, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CN7CCCC7	Q02156	P24723	5.42021640338319	6.455931955649724	1.0357155522665344	Same Family
[P24723, Q02156]	c1ccc2c(c1)c3cn2CCC(OCCn4cc(c5c4cccc5)C6=C3C(=O)NC6=O)CO	Q02156	P24723	4.102372908709558	6.522878745280337	2.4205058365707792	Same Family
[P24723, Q02156]	c1ccc2c(c1)cc(nc2NCCN)c3ccncc3	Q02156	P24723	6.05700040663396	6.129011186239425	0.0720107796054652	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(c2)NCCN	Q02156	P24723	7.356547323513813	7.267606240177032	0.08894108333678119	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q02156	P24723	8.096910013008056	7.886056647693163	0.21085336531489318	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q02156	P24723	8.154901959985743	8.397940008672037	0.24303804868629442	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCNC(=O)C4	Q02156	P24723	6.095825631715837	6.133712660915805	0.037887029199968225	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q02156	P24723	8.096910013008056	8.221848749616356	0.1249387366082999	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q02156	P24723	7.886056647693163	8.0	0.11394335230683694	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q02156	P24723	8.301029995663981	8.301029995663981	0.0	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)NCCO	Q02156	P24723	7.0915149811213505	6.72584215073632	0.36567283038503007	Same Family
[P24723, Q02156]	c1cnccc1c2cc3cnccc3c(n2)OCCN	Q02156	P24723	6.920818753952375	7.086186147616283	0.1653673936639084	Same Family
[P24723, Q02156]	c1cnccc1c2nc3cnccc3c(n2)NCCN	Q02156	P24723	7.42021640338319	7.568636235841013	0.1484198324578232	Same Family
[Q02156, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	Q02156	Q04759	6.8326826652518236	6.304518323509803	0.5281643417420208	Same Family
[Q02156, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q02156	Q04759	7.7447274948966935	6.85078088734462	0.8939466075520732	Same Family
[Q02156, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	Q02156	Q04759	7.327902142064283	7.031517051446065	0.2963850906182177	Same Family
[Q02156, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	Q02156	Q04759	7.2076083105017466	6.853871964321762	0.35373634617998473	Same Family
[Q02156, Q04759]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	Q02156	Q04759	8.301029995663981	7.259637310505756	1.0413926851582254	Same Family
[Q02156, Q04759]	CC1C(=O)NN=C2N1c3cc(c(cc3OC2)C(F)(F)F)NC4CNC4	Q02156	Q04759	6.853871964321762	6.992859712983584	0.1389877486618225	Same Family
[Q02156, Q04759]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	Q02156	Q04759	7.6777807052660805	8.698970004336019	1.0211892990699383	Same Family
[Q02156, Q04759]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	Q02156	Q04759	7.619788758288394	6.455931955649724	1.1638568026386693	Same Family
[Q02156, Q04759]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	Q02156	Q04759	7.102372908709558	6.001304841688344	1.101068067021214	Same Family
[Q02156, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	Q02156	Q04759	7.267606240177032	8.130768280269024	0.8631620400919919	Same Family
[Q02156, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	Q02156	Q04759	4.022276394711152	7.795880017344075	3.7736036226329226	Same Family
[Q02156, Q04759]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	Q02156	Q04759	6.876148359032914	6.131943638176958	0.7442047208559561	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(c2)NCCN	Q02156	Q04759	7.356547323513813	6.449771646944906	0.9067756765689072	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	Q02156	Q04759	8.096910013008056	6.87942606879415	1.2174839442139058	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	Q02156	Q04759	8.154901959985743	7.113509274827518	1.0413926851582254	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	Q02156	Q04759	8.096910013008056	6.962573502059376	1.13433651094868	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	Q02156	Q04759	7.886056647693163	7.013228265733755	0.8728283819594083	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCN	Q02156	Q04759	8.301029995663981	7.113509274827518	1.1875207208364635	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCO	Q02156	Q04759	7.0915149811213505	6.129011186239425	0.9625037948819255	Same Family
[Q02156, Q04759]	c1cnccc1c2cc3cnccc3c(n2)OCCN	Q02156	Q04759	6.920818753952375	6.023191662661934	0.8976270912904409	Same Family
[P28482, Q02750]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	Q02750	P28482	5.045757490560675	4.568636235841013	0.4771212547196617	Different Group
[P28482, Q02750]	COc1cccc(c1N)c2cc(=O)c3ccccc3o2	Q02750	P28482	5.3979400086720375	5.552841968657781	0.15490195998574308	Different Group
[P28482, Q02750]	Cc1cc(ccn1)c2c3c([nH]n2)CCN(C3)S(=O)(=O)C=C	Q02750	P28482	5.309803919971486	6.836530666164662	1.5267267461931757	Different Group
[P28482, Q02750]	Cc1cnc(nc1Nc2ccccc2NC(=O)C=C)Nc3ccnn3C	Q02750	P28482	6.585026652029182	7.305764533165304	0.720737881136122	Different Group
[P28482, Q02750]	Cn1c(ccn1)Nc2ncc(c(n2)Nc3ccccc3NC(=O)C=C)Cl	Q02750	P28482	6.920818753952375	7.736393405240008	0.8155746512876334	Different Group
[P28482, Q02750]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	Q02750	P28482	5.6020599913279625	8.133803120088515	2.531743128760553	Different Group
[P28482, Q02750]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)NC(=N3)N	Q02750	P28482	5.6020599913279625	8.221848749616356	2.6197887582883936	Different Group
[P28482, Q02750]	c1c2c([nH]c1Br)C(=O)NCCC2=O	Q02750	P28482	5.6020599913279625	6.268411234813262	0.6663512434852992	Different Group
[P28482, Q02750]	c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O	Q02750	P28482	5.6020599913279625	6.084072788302884	0.4820127969749217	Different Group
[P28482, Q02750]	c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOCC(CO)O	Q02750	P28482	8.037216001247106	7.6020599913279625	0.4351560099191438	Different Group
[P28482, Q02750]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	Q02750	P28482	5.167491087293763	4.6020599913279625	0.5654310959658009	Different Group
[P28482, Q02750]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	Q02750	P28482	4.892790030352131	4.886056647693163	0.006733382658968168	Different Group
[P28482, Q02750]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	Q02750	P28482	5.958607314841775	5.3979400086720375	0.5606673061697371	Different Group
[P28482, Q02750]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	Q02750	P28482	4.522878745280337	4.698970004336019	0.17609125905568135	Different Group
[P24723, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccnc(c3)N)N	P24723	Q04759	7.221848749616356	6.304518323509803	0.9173304261065534	Same Family
[P24723, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	P24723	Q04759	8.045757490560675	6.85078088734462	1.1949766032160545	Same Family
[P24723, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3Cl)N	P24723	Q04759	7.823908740944319	7.031517051446065	0.7923916894982534	Same Family
[P24723, Q04759]	CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3F)N	P24723	Q04759	7.7447274948966935	6.853871964321762	0.8908555305749317	Same Family
[P24723, Q04759]	CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	P24723	Q04759	6.180456064458132	6.002176919254275	0.1782791452038568	Same Family
[P24723, Q04759]	CC(C)(CNc1c2ccncc2nc(n1)c3ccncc3)N	P24723	Q04759	7.1249387366083	5.815024809301739	1.3099139273065612	Same Family
[P24723, Q04759]	CC(CNc1c2ccncc2cc(n1)c3ccncc3)N	P24723	Q04759	8.698970004336019	7.259637310505756	1.4393326938302629	Same Family
[P24723, Q04759]	CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OCC4CCCNC4	P24723	Q04759	8.698970004336019	8.698970004336019	0.0	Same Family
[P24723, Q04759]	CN(CCN)c1c2ccncc2cc(n1)c3ccncc3	P24723	Q04759	7.468521082957745	6.455931955649724	1.0125891273080203	Same Family
[P24723, Q04759]	CNCCNc1c2ccncc2cc(n1)c3ccncc3	P24723	Q04759	7.031517051446065	6.001304841688344	1.030212209757721	Same Family
[P24723, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c(cncc3c4ccc(cc4)OCCN5CCN(CC5)C)C#N	P24723	Q04759	6.346787486224656	8.130768280269024	1.7839807940443677	Same Family
[P24723, Q04759]	Cc1c2cc[nH]c2ccc1Nc3c4cc(sc4ncc3C#N)c5cc(ccc5CN(C)C)OC	P24723	Q04759	3.4436974992327127	7.795880017344075	4.352182518111363	Same Family
[P24723, Q04759]	Cc1cnccc1c2cc3cnccc3c(n2)NCC(C)(C)N	P24723	Q04759	7.2839966563652006	6.131943638176958	1.1520530181882425	Same Family
[P24723, Q04759]	c1cc2c(cc1c3nc4cnccc4c(n3)N5CCNCC5)cn[nH]2	P24723	Q04759	6.294992040666664	6.105130343254747	0.18986169741191716	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(c2)NCCN	P24723	Q04759	7.267606240177032	6.449771646944906	0.817834593232126	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCC(C4)N	P24723	Q04759	7.886056647693163	6.87942606879415	1.0066305788990126	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCCNCC4	P24723	Q04759	8.397940008672037	7.113509274827518	1.2844307338445198	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)N4CCNCC4	P24723	Q04759	8.221848749616356	6.962573502059376	1.25927524755698	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCCN	P24723	Q04759	8.0	7.013228265733755	0.9867717342662452	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCN	P24723	Q04759	8.301029995663981	7.113509274827518	1.1875207208364635	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)NCCO	P24723	Q04759	6.72584215073632	6.129011186239425	0.5968309644968954	Same Family
[P24723, Q04759]	c1cnccc1c2cc3cnccc3c(n2)OCCN	P24723	Q04759	7.086186147616283	6.023191662661934	1.0629944849543493	Same Family
[P19784, P68400]	C=CCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.0915149811213505	5.568636235841013	0.4771212547196626	Same Family
[P19784, P68400]	C=Cc1cc(cc(c1Cl)Nc2nc(c3ncc(n3n2)C#N)NC4CC4)C#N	P68400	P19784	9.638272163982407	9.795880017344075	0.15760785336166805	Same Family
[P19784, P68400]	CC(=O)N1CC(C1)N2CCC(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	9.55284196865778	9.602059991327963	0.04921802267018194	Same Family
[P19784, P68400]	CC(=O)N1CCC(CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	9.67778070526608	9.795880017344075	0.11809931207799451	Same Family
[P19784, P68400]	CC(=O)NC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccncc4	P68400	P19784	6.769551078621726	7.301029995663981	0.5314789170422554	Same Family
[P19784, P68400]	CC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	4.52432881167557	5.275724130399211	0.7513953187236408	Same Family
[P19784, P68400]	CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]	P68400	P19784	4.5718652059712115	4.492144128304169	0.07972107766704273	Same Family
[P19784, P68400]	CC(C)(C(=O)NC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccnc(c4)OC)O	P68400	P19784	8.0	8.568636235841012	0.5686362358410122	Same Family
[P19784, P68400]	CC(C)(C)C(C1CCN(C1)C(=O)c2cc(n3c2c(ncn3)N)c4ccncc4)OC(=O)N	P68400	P19784	5.657577319177793	6.251811972993799	0.5942346538160059	Same Family
[P19784, P68400]	CC(C)(C)COC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccnc(c4)OC	P68400	P19784	6.823908740944319	7.301029995663981	0.4771212547196626	Same Family
[P19784, P68400]	CC(C)(C)N(CC1CCN(CC1)C(=O)c2cc(n3c2c(ncn3)N)c4ccncc4)C(=O)O	P68400	P19784	5.552841968657781	6.1249387366083	0.5720967679505193	Same Family
[P19784, P68400]	CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(n2c1c(ncn2)N)c3ccncc3	P68400	P19784	6.468521082957745	7.221848749616356	0.7533276666586115	Same Family
[P19784, P68400]	CC(C)(C)[Si](C)(C)OC1CC(CCC1N)N2CCC(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.068542129310995	8.087246696328677	0.018704567017682194	Same Family
[P19784, P68400]	CC(C)(CC(=O)NC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccnc(c4)OC)O	P68400	P19784	7.221848749616356	7.301029995663981	0.07918124604762511	Same Family
[P19784, P68400]	CC(C)(CN1CCCC1)C(=O)NC2CCC(CC2)NC(=O)c3cc(n4c3c(ncn4)N)c5ccnc(c5)OC	P68400	P19784	7.698970004336019	8.431798275933005	0.7328282715969863	Same Family
[P19784, P68400]	CC(C)COC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.292429823902063	5.2441251443275085	0.048304679574554754	Same Family
[P19784, P68400]	CC(C)NC1CCN(CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	7.508358206522414	7.808828544271441	0.30047033774902765	Same Family
[P19784, P68400]	CC(C)OC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	4.85078088734462	5.086186147616283	0.23540526027166297	Same Family
[P19784, P68400]	CC(C)Oc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)N	P68400	P19784	5.236572006437063	6.154901959985743	0.91832995354868	Same Family
[P19784, P68400]	CC(CN1CCN(CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N)O	P68400	P19784	9.522878745280337	9.55284196865778	0.02996322337744317	Same Family
[P19784, P68400]	CC1(CC(CC(N1)(C)C)Oc2cc(c(cc2C#N)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)F)C	P68400	P19784	7.884056823060945	7.794795636051855	0.08926118700908958	Same Family
[P19784, P68400]	CC1(CC(CC(N1C)(C)C)Oc2cc(c(cc2C#N)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)F)C	P68400	P19784	7.5932895413902095	7.705313375720556	0.1120238343303468	Same Family
[P19784, P68400]	CC1(CC(CC(N1C)(C)C)Oc2cc(c(cc2C#N)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)OC6CC(N(C(C6)(C)C)C)(C)C)C	P68400	P19784	7.221270076003888	7.331707289551779	0.1104372135478906	Same Family
[P19784, P68400]	CC1(CC(CC(N1C)(C)C)Oc2cc(c(cc2Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N)F)C	P68400	P19784	8.064492734175287	8.844663962534938	0.7801712283596505	Same Family
[P19784, P68400]	CC1(COC1)N2CCN(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C(F)F	P68400	P19784	8.847711655616944	9.1249387366083	0.27722708099135573	Same Family
[P19784, P68400]	CC1CCN(CC1)C(=O)c2cc(n3c2c(ncn3)N)c4ccncc4	P68400	P19784	6.356547323513812	7.301029995663981	0.9444826721501691	Same Family
[P19784, P68400]	CC1CN(CC1NC(=O)OC)C2CCN(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.882728704344236	8.79317412396815	0.08955458037608643	Same Family
[P19784, P68400]	CC1CN(CC1NC(=O)OC)C2CN(C2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	9.568636235841012	9.309803919971486	0.25883231586952604	Same Family
[P19784, P68400]	CC=C(C)C(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.443697499232713	5.5376020021010435	0.0939045028683303	Same Family
[P19784, P68400]	CCCCCCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.214670164989233	5.6777807052660805	0.4631105402768476	Same Family
[P19784, P68400]	CCCCCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.346787486224656	5.619788758288394	0.2730012720637376	Same Family
[P19784, P68400]	CCCCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.113509274827518	5.508638306165727	0.3951290313382092	Same Family
[P19784, P68400]	CCCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.2441251443275085	5.522878745280337	0.27875360095282886	Same Family
[P19784, P68400]	CCN1CCCC1CNC(=O)C2CCC(CC2)NC(=O)c3cc(n4c3c(ncn4)N)c5ccnc(c5)OC	P68400	P19784	8.0	8.4089353929735	0.40893539297350046	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)C4CCNCC4)C#N)[N+]#[C-]	P68400	P19784	8.847711655616944	9.119186407719209	0.27147475210226446	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)N4CCC(CC4)NCC(C)O)C#N)[N+]#[C-]	P68400	P19784	8.876148359032914	9.214670164989233	0.33852180595631864	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)N4CCC5C(C4)OCCN5C6COC6)C#N)C#N	P68400	P19784	8.863279432843592	9.2839966563652	0.4207172235216081	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)N4CCN(CC4)C5COC5)C#N)C#N	P68400	P19784	8.856985199745905	9.638272163982407	0.7812869642365019	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)N4CCN(CC4)C5COC5)C(F)F)[N+]#[C-]	P68400	P19784	8.096910013008056	8.343901797987169	0.24699178497911234	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3cc(cc(c3Cl)N4CCN(CC4)CC(F)F)C#N)C#N	P68400	P19784	8.856985199745905	9.130768280269024	0.2737830805231187	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3ccc4c(c3)c(nn4C5CCN(CC5)C6COC6)C#N)C#N	P68400	P19784	8.84163750790475	9.0268721464003	0.185234638495551	Same Family
[P19784, P68400]	CCNc1c2ncc(n2nc(n1)Nc3ccc4c(c3)c(nn4C5CCN(CC5)CC(C)O)C#N)C#N	P68400	P19784	9.613106777509403	9.623208470553546	0.010101693044143545	Same Family
[P19784, P68400]	CCOC(=O)NC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccnc(c4)OC	P68400	P19784	7.698970004336019	8.55284196865778	0.8538719643217618	Same Family
[P19784, P68400]	CCOC(=O)NC1CCC(CC1)NC(=O)c2cc(n3c2c(ncn3)N)c4ccncc4	P68400	P19784	6.721246399047171	7.154901959985743	0.43365556093857194	Same Family
[P19784, P68400]	CN(CCCN)C(=O)c1cc(n2c1c(ncn2)N)c3ccncc3	P68400	P19784	5.229147988357856	6.0915149811213505	0.8623669927634943	Same Family
[P19784, P68400]	CN1CC(C1)CN2CCN(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C(F)F	P68400	P19784	8.210419287835574	8.326058001365912	0.11563871353033761	Same Family
[P19784, P68400]	CN1CC(C1)N2CCN(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C(F)F	P68400	P19784	8.823908740944319	9.327902142064282	0.5039934011199634	Same Family
[P19784, P68400]	CN1CC2(C1)CN(C2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.853871964321762	9.060480747381382	0.20660878305961994	Same Family
[P19784, P68400]	CN1CCC(=CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	9.508638306165727	9.638272163982407	0.12963385781668002	Same Family
[P19784, P68400]	CN1CCN(CC1)C2CN(C2)c3cc(cc(c3F)Nc4nc(c5ncc(n5n4)[N+]#[C-])NC6CC6)C#N	P68400	P19784	9.4089353929735	9.214670164989233	0.1942652279842676	Same Family
[P19784, P68400]	CN1CCN(CC1)CC(=O)NC2CCN(CC2O)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.863279432843592	9.193820026016112	0.33054059317252005	Same Family
[P19784, P68400]	CNCCCNC(=O)c1cc(n2c1c(ncn2)N)c3ccncc3	P68400	P19784	5.356547323513812	6.42021640338319	1.0636690798693778	Same Family
[P19784, P68400]	COC(=O)N1CCC(CC1)N2CCN(CC2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.869666231504993	9.031517051446064	0.16185081994107087	Same Family
[P19784, P68400]	COC(=O)NC1CCN(CC1F)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	9.853871964321762	9.346787486224656	0.5070844780971058	Same Family
[P19784, P68400]	COC(=O)NC1CCN(CC1O)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	9.264941823424497	9.512284095745368	0.24734227232087136	Same Family
[P19784, P68400]	COC(=O)NC1CCN(CC1OP(=O)(O)O)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	9.568636235841012	10.045757490560675	0.4771212547196626	Same Family
[P19784, P68400]	COC1CCN(C1)C2CN(C2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	9.67778070526608	9.508638306165727	0.16914239910035356	Same Family
[P19784, P68400]	COC1CN(C1)C2CN(C2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C(F)F	P68400	P19784	8.017276612331454	8.224753740259764	0.20747712792831052	Same Family
[P19784, P68400]	COC1CN(CC1NC(=O)OC)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C(F)F	P68400	P19784	8.416801226031378	8.931814138253838	0.5150129122224598	Same Family
[P19784, P68400]	COC1CN(CCC1NC(=O)OC)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	6.657379957446652	7.2131776205008125	0.5557976630541601	Same Family
[P19784, P68400]	COCC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.221848749616356	5.366531544420414	0.14468279480405766	Same Family
[P19784, P68400]	COCCNC1CCN(CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	7.680269505669775	7.602929450040591	0.07734005562918433	Same Family
[P19784, P68400]	COCCOC(=O)NC1CCN(CC1O)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	8.8153085691824	9.309803919971486	0.49449535078908546	Same Family
[P19784, P68400]	COCCOC(=O)Nc1nnc(s1)c2ccc(cc2)C(=O)O	P68400	P19784	5.167491087293763	5.366531544420414	0.19904045712665042	Same Family
[P19784, P68400]	COc1cc(ccc1C(=O)N)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)O	P68400	P19784	5.638272163982407	6.102372908709558	0.46410074472715124	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)N4CCC(CC4)O	P68400	P19784	5.769551078621726	6.251811972993799	0.4822608943720734	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)C(=O)O	P68400	P19784	8.0	8.443697499232712	0.4436974992327123	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)CO	P68400	P19784	8.0	8.468521082957745	0.46852108295774464	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)NC(=O)C5(CC5)CN	P68400	P19784	7.698970004336019	8.443697499232712	0.7447274948966935	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCCN(C4)C(=O)C5(CC5)N	P68400	P19784	7.3979400086720375	8.602059991327963	1.204119982655925	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NC4CCOC4	P68400	P19784	7.522878745280337	8.657577319177793	1.134698573897456	Same Family
[P19784, P68400]	COc1cc(ccn1)c2cc(c3n2ncnc3N)C(=O)NCC4CCC(CC4)O	P68400	P19784	7.698970004336019	8.494850021680094	0.795880017344075	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2cc([nH]n2)c3ccc(cc3)C(=O)O	P68400	P19784	6.853871964321762	7.200659450546419	0.34678748622465694	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2cnc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	4.301029995663981	4.6020599913279625	0.30102999566398125	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(c4c3cccc4)C(=O)O	P68400	P19784	5.886056647693163	6.552841968657781	0.6667853209646175	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	7.596910013008056	7.6479247415801	0.05101472857204392	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3COc4ccccc4)C(=O)O	P68400	P19784	7.552841968657781	7.920818753952375	0.3679767852945943	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCCc4ccccc4)C(=O)O	P68400	P19784	7.823908740944319	7.958607314841775	0.134698573897456	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccc(cc4)Cl)C(=O)O	P68400	P19784	7.585026652029182	7.721246399047171	0.13621974701798933	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4cccc(c4)Cl)C(=O)O	P68400	P19784	6.481486060122113	6.795880017344075	0.31439395722196206	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4)C(=O)O	P68400	P19784	7.721246399047171	7.920818753952375	0.19957235490520375	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4Br)C(=O)O	P68400	P19784	7.769551078621726	7.853871964321762	0.08432088570003593	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4C#N)C(=O)O	P68400	P19784	7.795880017344075	7.958607314841775	0.16272729749769965	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4Cl)C(=O)O	P68400	P19784	7.795880017344075	8.008773924307505	0.2128939069634299	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4F)C(=O)O	P68400	P19784	7.853871964321762	8.05551732784983	0.20164536352806905	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccc4OC)C(=O)O	P68400	P19784	7.853871964321762	7.886056647693163	0.032184683371401235	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3OCc4ccccn4)C(=O)O	P68400	P19784	7.823908740944319	8.022276394711152	0.19836765376683374	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3Oc4ccccc4)C(=O)O	P68400	P19784	7.823908740944319	8.0	0.17609125905568135	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cn3)C(=O)O	P68400	P19784	7.853871964321762	8.0	0.14612803567823818	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(nc3)C(=O)O	P68400	P19784	7.769551078621726	8.337242168318426	0.5676910896966998	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(nn3)C(=O)O	P68400	P19784	7.853871964321762	8.017728766960431	0.1638568026386693	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)C(=O)O	P68400	P19784	4.130768280269024	4.494850021680094	0.36408174141106997	Same Family
[P19784, P68400]	COc1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	5.468521082957745	5.920818753952375	0.45229767099463025	Same Family
[P19784, P68400]	CS(=O)(=O)C1CCN(C1)C2CN(C2)c3cc(cc(c3Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	9.619788758288394	9.958607314841775	0.338818556553381	Same Family
[P19784, P68400]	CS(=O)(=O)CCN1CCN(CC1)c2cc(cc(c2Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	8.84163750790475	9.00436480540245	0.16272729749769965	Same Family
[P19784, P68400]	Cc1nc(nn1C)Nc2c3ncc(n3nc(n2)Nc4ccc5c(c4)c(nn5C)C#N)[N+]#[C-]	P68400	P19784	9.886056647693163	10.522878745280337	0.6368220975871743	Same Family
[P19784, P68400]	Cc1nc(nn1C)Nc2c3ncc(n3nc(n2)Nc4ccc5c(c4)c(nn5CC(C)O)C#N)[N+]#[C-]	P68400	P19784	8.122628654130226	8.607303046740334	0.48467439261010803	Same Family
[P19784, P68400]	Cn1c2ccc(cc2c(n1)C#N)Nc3nc(c4ncc(n4n3)C#N)NC5CC5	P68400	P19784	9.823908740944319	10.045757490560675	0.22184874961635614	Same Family
[P19784, P68400]	[C-]#[N+]c1cnc2n1nc(nc2NC3CC3)Nc4c(cnc(n4)C#N)Cl	P68400	P19784	7.6365760670828235	8.292429823902063	0.6558537568192397	Same Family
[P19784, P68400]	[C-]#[N+]c1cnc2n1nc(nc2NC3CC3)Nc4cc(cc(c4Cl)N5CCC(CC5)NC6CC(C6)(F)F)C#N	P68400	P19784	8.863279432843592	9.154901959985743	0.29162252714215064	Same Family
[P19784, P68400]	[C-]#[N+]c1cnc2n1nc(nc2NC3CC3)Nc4cc(cc(c4Cl)N5CCN(C(C5)C(=O)N6CCOCC6)C7COC7)C#N	P68400	P19784	8.853871964321762	8.87942606879415	0.025554104472387706	Same Family
[P19784, P68400]	[C-]#[N+]c1cnc2n1nc(nc2NC3CC3)Nc4cc(cc(c4Cl)N5CCN(CC(C5)F)C6COC6)C#N	P68400	P19784	9.537602002101044	9.67778070526608	0.1401787031650361	Same Family
[P19784, P68400]	[C-]#[N+]c1cnc2n1nc(nc2NC3CC3)Nc4cccc(n4)C#N	P68400	P19784	6.760700520873107	7.088203409562748	0.32750288868964095	Same Family
[P19784, P68400]	c1c(c(cc(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)OC5CCNCC5)F)C#N	P68400	P19784	8.008773924307505	8.560667306169737	0.5518933818622322	Same Family
[P19784, P68400]	c1c(cc(c(c1C2CCN(CC2)C(=O)OC3COC3)Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.869666231504993	9.568636235841012	0.6989700043360187	Same Family
[P19784, P68400]	c1c(cc(c(c1C2CCN(CC2)C3CC(C3)(CO)CO)Cl)Nc4nc(c5ncc(n5n4)C#N)NC6CC6)C#N	P68400	P19784	8.872895201635192	9.119186407719209	0.24629120608401678	Same Family
[P19784, P68400]	c1c(cc(c(c1C2CCN(CC2)CCC(F)(F)F)Cl)Nc3nc(c4ncc(n4n3)C#N)NC5CC5)C#N	P68400	P19784	8.231361898752386	8.688246138944246	0.4568842401918598	Same Family
[P19784, P68400]	c1c(cc(c(c1CO)Cl)Nc2nc(c3ncc(n3n2)C#N)NC4CC4)C#N	P68400	P19784	9.795880017344075	9.958607314841775	0.16272729749769965	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CC(C5)N6CC(C6)O)C#N	P68400	P19784	9.522878745280337	9.568636235841012	0.045757490560674796	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(C(C5)O)NC(=O)OC6COC6)C#N	P68400	P19784	8.866461091629782	9.585026652029182	0.7185655603993997	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(C5)O)C#N	P68400	P19784	9.769551078621726	10.154901959985743	0.3853508813640172	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)C6COC6)C(F)F	P68400	P19784	8.218963061378869	8.521433504406156	0.3024704430272873	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)N(CC6CC6)CC7CC7)C#N	P68400	P19784	7.038294215997495	7.06722192993945	0.028927713941954813	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)NC6CC(C6)C#N)C#N	P68400	P19784	8.806875401645538	8.8153085691824	0.00843316753686274	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)NC6CC(C6)O)C#N	P68400	P19784	9.522878745280337	9.267606240177031	0.25527250510330646	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)NC6CCS(=O)(=O)C6)C#N	P68400	P19784	9.657577319177793	9.823908740944319	0.16633142176652527	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)NCC(F)(F)F)C#N	P68400	P19784	7.524474084960719	7.680061560019691	0.1555874750589723	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCC(CC5)NCC(F)F)C#N	P68400	P19784	6.748605149959896	6.813608784304507	0.06500363434461143	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCN(CC5)C6(COC6)C#N)C(F)F	P68400	P19784	7.816730156317195	8.493494967595128	0.6767648112779323	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)N5CCN(CC5)C6CCOC6)C#N	P68400	P19784	9.537602002101044	9.698970004336019	0.16136800223497438	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)NC5CCN(CC5)C6COC6)C#N	P68400	P19784	8.87942606879415	9.086186147616283	0.20676007882213376	Same Family
[P19784, P68400]	c1c(cc(c(c1Nc2nc(c3ncc(n3n2)C#N)NC4CC4)Cl)NN5CCOCC5)C#N	P68400	P19784	9.638272163982407	9.958607314841775	0.3203351508593677	Same Family
[P19784, P68400]	c1cc(cc(c1)C(=O)N)c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)O	P68400	P19784	5.366531544420414	6.0	0.6334684555795862	Same Family
[P19784, P68400]	c1cc(ccc1c2nnc(s2)NC(=O)C3CC3)C(=O)O	P68400	P19784	5.4089353929735005	5.795880017344075	0.38694462437057453	Same Family
[P19784, P68400]	c1cc(ccc1c2nnc(s2)NC(=O)CO)C(=O)O	P68400	P19784	5.292429823902063	5.552841968657781	0.2604121447557173	Same Family
[P19784, P68400]	c1cc(ccc1c2nnc(s2)NC(=O)c3ccc(cc3)F)C(=O)O	P68400	P19784	5.180456064458132	5.769551078621726	0.5890950141635942	Same Family
[P19784, P68400]	c1cc(oc1)C(=O)Nc2nnc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	5.292429823902063	5.7447274948966935	0.45229767099463025	Same Family
[P19784, P68400]	c1cc(sc1)C(=O)Nc2nnc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	5.1938200260161125	5.236572006437063	0.04275198042095063	Same Family
[P19784, P68400]	c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O	P68400	P19784	6.958607314841775	6.721246399047171	0.2373609157946035	Same Family
[P19784, P68400]	c1ccc(cc1)C(=O)Nc2nnc(s2)c3ccc(cc3)C(=O)O	P68400	P19784	5.356547323513812	5.481486060122113	0.1249387366083008	Same Family
[P19784, P68400]	c1ccc(cc1)S(=O)(=O)CC2(COC2)N3CCN(CC3)c4cc(cc(c4Cl)Nc5nc(c6ncc(n6n5)C#N)NC7CC7)C(F)F	P68400	P19784	7.858236769724212	8.500312917381596	0.6420761476573835	Same Family
[P19784, P68400]	c1ccnc(c1)CCNC(=O)c2cc(n3c2c(ncn3)N)c4ccncc4	P68400	P19784	6.823908740944319	7.301029995663981	0.4771212547196626	Same Family
[P19784, P68400]	c1cnc(cc1c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)N)CCO	P68400	P19784	5.6777807052660805	6.481486060122113	0.8037053548560325	Same Family
[P19784, P68400]	c1cnc(cc1c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)O)F	P68400	P19784	6.958607314841775	7.301029995663981	0.3424226808222066	Same Family
[P19784, P68400]	c1cnccc1c2cc(c3n2ncnc3N)C(=O)N4CCCC(C4)CN	P68400	P19784	4.920818753952375	6.173925197299173	1.2531064433467982	Same Family
[P19784, P68400]	c1cnccc1c2cc(c3n2ncnc3N)C(=O)NC4CCC(CC4)O	P68400	P19784	6.537602002101044	7.301029995663981	0.7634279935629369	Same Family
[P19784, P68400]	c1cnccc1c2cc(c3n2ncnc3N)C(=O)NC4CCOCC4	P68400	P19784	6.769551078621726	7.221848749616356	0.45229767099463025	Same Family
[P11362, P21802]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3c(ccc4)Br	P11362	P21802	5.806875401645538	5.211831628858833	0.5950437727867053	Same Family
[P11362, P21802]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3c[nH]c4c3cccc4	P11362	P21802	5.498940737782249	5.1180450286604	0.380895709121849	Same Family
[P11362, P21802]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3cccc(c3OC)OC	P11362	P21802	5.039529222465701	5.2020403562628035	0.16251113379710258	Same Family
[P11362, P21802]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3ccccc3	P11362	P21802	4.748605149959896	4.792904459580782	0.044299309620886795	Same Family
[P11362, P21802]	CC(=O)Nc1nc2c(c(n1)O)nc([nH]2)c3ccccc3OC	P11362	P21802	4.822752163744377	4.870632404277014	0.04788024053263751	Same Family
[P11362, P21802]	CC(C)(C#CC(=O)N1CCC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC)O	P11362	P21802	7.698970004336019	8.698970004336019	1.0	Same Family
[P11362, P21802]	CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)N)c3c(cccc3Cl)Cl	P11362	P21802	6.958607314841775	6.886056647693163	0.07255066714861158	Same Family
[P11362, P21802]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P11362	P21802	8.200659450546418	8.494299370037627	0.29363991949120916	Same Family
[P11362, P21802]	CCCCOc1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P11362	P21802	7.657577319177793	7.920818753952375	0.2632414347745815	Same Family
[P11362, P21802]	CCCCc1ccc2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P11362	P21802	6.638272163982407	6.698970004336019	0.06069784035361181	Same Family
[P11362, P21802]	CCc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P11362	P21802	8.537602002101044	7.187086643357144	1.3505153587439	Same Family
[P11362, P21802]	CN(C)CC=CC(=O)N1CC(C1)n2cc(c3c2ncnc3N)C#Cc4cc(cc(c4)OC)OC	P11362	P21802	8.55284196865778	8.91195437047216	0.35911240181437876	Same Family
[P11362, P21802]	CN1CCC(CC1)c2ccc3c(c2)cc([nH]3)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C(F)F	P11362	P21802	7.060480747381382	6.958607314841775	0.10187343253960712	Same Family
[P11362, P21802]	CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5	P11362	P21802	7.2677386874207635	7.431798275933005	0.16405958851224156	Same Family
[P11362, P21802]	CN1CCN(CC1)c2ccc(cc2)c3[nH]c4c(n3)c(c(cn4)Cl)N5CCN(CC5)CC(=O)Nc6nccs6	P11362	P21802	7.392578075976151	7.449814727441218	0.05723665146506729	Same Family
[P11362, P21802]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C#C)N	P11362	P21802	8.853871964321762	8.958607314841775	0.10473535052001282	Same Family
[P11362, P21802]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N	P11362	P21802	8.443697499232712	8.789198036565084	0.34550053733237185	Same Family
[P11362, P21802]	COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CN(C4)C(=O)C=C)N	P11362	P21802	8.494850021680094	8.958607314841775	0.4637572931616809	Same Family
[P11362, P21802]	COc1cc(cc(c1)OC)C#Cc2cn(c3c2c(ncn3)N)C4CN(C4)C(=O)C=CCN5CCC(C5)O	P11362	P21802	8.508638306165727	9.0	0.4913616938342731	Same Family
[P11362, P21802]	COc1cc(cc(c1)OC)CCc2cc(n[nH]2)Nc3c4ccc(cc4ncn3)N5CCN6CCCCC6C5	P11362	P21802	9.0	9.397940008672037	0.3979400086720375	Same Family
[P11362, P21802]	COc1cccc(c1OC)c2[nH]c3c(n2)c(nc(n3)N)O	P11362	P21802	4.924088238517222	5.0762380391713	0.1521498006540778	Same Family
[P11362, P21802]	COc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)O	P11362	P21802	4.817585347565446	4.803271277376713	0.014314070188732764	Same Family
[P11362, P21802]	Cc1[nH]c2c(n1)C=C(CC2)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)S(=O)(=O)C)N	P11362	P21802	8.102372908709558	7.958607314841775	0.14376559386778354	Same Family
[P11362, P21802]	Cc1[nH]c2cc(cc(c2n1)F)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	P11362	P21802	7.455931955649724	7.795880017344075	0.33994806169435066	Same Family
[P11362, P21802]	Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4c(c5ccccc5[nH]4)F)N	P11362	P21802	7.1249387366083	7.3979400086720375	0.2730012720637376	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)N3C(C(C=N3)C(=O)c4cc5ccc(cc5[nH]4)CN(CCOC)CCOC)N	P11362	P21802	8.017728766960431	7.638272163982407	0.3794566029780242	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=C(C=CC5N4)C(=O)N6CCC(C6)(F)F)N	P11362	P21802	7.251811972993799	6.657577319177793	0.5942346538160059	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC(=CC5N4)C#N)N	P11362	P21802	8.045757490560675	8.207608310501746	0.16185081994107087	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)C4=CC5C=CC=CC5N4)N	P11362	P21802	8.301029995663981	7.638272163982407	0.6627578316815743	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)Br)Br)N	P11362	P21802	6.585026652029182	7.180456064458132	0.5954294124289499	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c([nH]4)c5cccnc5)c6cccnc6)N	P11362	P21802	5.769551078621726	6.405607449624573	0.6360563710028471	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)Br)N	P11362	P21802	6.4089353929735005	6.585026652029182	0.17609125905568135	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5ccc(cc5)OC)N	P11362	P21802	6.070581074285707	6.7447274948966935	0.6741464206109864	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc(c[nH]4)c5cccc(c5)F)N	P11362	P21802	6.6777807052660805	7.173925197299173	0.49614449203309263	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5=CC(C(C=c5[nH]4)CN6CCOCC6)F)N	P11362	P21802	7.7447274948966935	8.443697499232712	0.6989700043360187	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5F)Br)N	P11362	P21802	7.346787486224656	7.585026652029182	0.23823916580452575	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cc(cc5OC)OC)N	P11362	P21802	7.3979400086720375	7.823908740944319	0.42596873227228116	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5F)N	P11362	P21802	7.154901959985743	7.552841968657781	0.3979400086720375	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NC(CO)CO)N	P11362	P21802	8.3767507096021	8.221848749616356	0.15490195998574308	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCN6CCOCC6)N	P11362	P21802	8.292429823902063	7.585026652029182	0.7074031718728815	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCOC)N	P11362	P21802	8.193820026016112	7.721246399047171	0.47257362696894134	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5NCCc6ccncc6)N	P11362	P21802	8.070581074285707	7.5376020021010435	0.5329790721846637	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccc5OC(C)C)N	P11362	P21802	7.040958607678906	7.585026652029182	0.5440680443502757	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c([nH]4)cccn5)N	P11362	P21802	7.376750709602099	7.585026652029182	0.20827594242708258	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cc(cc5[nH]4)C(C)(C)C)C(C)(C)C)N	P11362	P21802	7.468521082957745	8.259637310505756	0.7911162275480113	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C#C)N	P11362	P21802	7.113509274827518	7.657577319177793	0.5440680443502757	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5c(cccc5[nH]4)C(C)C)N	P11362	P21802	7.050609993355087	7.376750709602099	0.32614071624701246	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)Br)F)N	P11362	P21802	7.508638306165727	8.070581074285707	0.5619427681199802	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)C6CCN(CC6)C(C)C)N	P11362	P21802	7.4089353929735005	7.7447274948966935	0.3357921019231931	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)C(F)(F)F)F)N	P11362	P21802	7.221848749616356	7.5376020021010435	0.31575325248468733	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)F)C6CCNCC6)N	P11362	P21802	7.481486060122113	7.42021640338319	0.06126965673892304	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OC)Cl)N	P11362	P21802	8.259637310505756	8.397940008672037	0.1383026981662816	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(c(cc5[nH]4)OCC6CC6)Cl)N	P11362	P21802	7.2076083105017466	7.853871964321762	0.6462636538200153	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CC(OC(C6)C)C)N	P11362	P21802	6.6777807052660805	6.455931955649724	0.22184874961635614	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCC(C6)F)N	P11362	P21802	5.552841968657781	6.269217724333611	0.7163757556758306	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCCC(C6)(F)F)N	P11362	P21802	7.522878745280337	8.267606240177031	0.7447274948966935	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCN(CC6)C)N	P11362	P21802	8.698970004336019	7.920818753952375	0.7781512503836439	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)N6CCOCC6)N	P11362	P21802	8.42021640338319	8.040958607678906	0.37925779570428375	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)NCC(F)(F)F)N	P11362	P21802	7.00436480540245	7.6777807052660805	0.6734158998636302	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(=O)O)N	P11362	P21802	8.522878745280337	8.0	0.5228787452803374	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(C)(C)C)N	P11362	P21802	6.823908740944319	7.251811972993799	0.42790323204948066	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C(F)(F)F)N	P11362	P21802	7.036212172654444	7.431798275933005	0.3955861032785606	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=C(CCC=C6)C(F)(F)F)N	P11362	P21802	6.585026652029182	7.0655015487564325	0.48047489672725074	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6=CCNCC6)N	P11362	P21802	7.366531544420414	7.4089353929735005	0.042403848553086654	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C(C)C)N	P11362	P21802	7.958607314841775	7.769551078621726	0.18905623622004875	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)C6CCN(CC6)C7CCCC7)N	P11362	P21802	7.958607314841775	7.920818753952375	0.03778856088939975	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6C(CCC6C)C)N	P11362	P21802	9.494850021680094	7.920818753952375	1.5740312677277188	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC(C6)F)N	P11362	P21802	9.173925197299173	8.070581074285707	1.103344123013466	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCCC6)N	P11362	P21802	8.853871964321762	8.337242168318426	0.5166297960033361	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCN(CC6)C)N	P11362	P21802	8.795880017344075	8.318758762624412	0.4771212547196626	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)CN6CCNCC6)N	P11362	P21802	7.180456064458132	7.42021640338319	0.23976033892505821	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Cc6ccccc6)N	P11362	P21802	7.292429823902063	7.468521082957745	0.17609125905568135	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCC6CC6)N	P11362	P21802	7.619788758288394	8.080921907623926	0.4611331493355326	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)OCCOC)N	P11362	P21802	7.7447274948966935	7.920818753952375	0.17609125905568135	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)Oc6ccccc6)N	P11362	P21802	6.920818753952375	6.958607314841775	0.03778856088939975	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)SC(F)(F)F)N	P11362	P21802	6.853871964321762	7.107905397309519	0.2540334329877574	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6ccc(nc6)O)N	P11362	P21802	7.443697499232713	7.508638306165727	0.06494080693301374	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)c6cccnc6)N	P11362	P21802	7.318758762624412	7.4089353929735005	0.09017663034908807	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc(ccc5[nH]4)n6ccnc6)N	P11362	P21802	7.508638306165727	7.698970004336019	0.19033169817029183	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OC(O6)(F)F)N	P11362	P21802	7.2441251443275085	7.853871964321762	0.6097468199942533	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5cc6c(cc5[nH]4)OCCO6)N	P11362	P21802	7.42021640338319	8.119186407719209	0.6989700043360187	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Br)N	P11362	P21802	7.522878745280337	8.050609993355087	0.5277312480747494	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CC6)N	P11362	P21802	7.346787486224656	7.6777807052660805	0.3309932190414244	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)C6CCN(CC6)C)N	P11362	P21802	8.161150909262744	8.075720713938118	0.08543019532462637	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN(C)CC#C)N	P11362	P21802	7.769551078621726	7.769551078621726	0.0	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)(F)F)N	P11362	P21802	8.537602002101044	8.0268721464003	0.5107298557007436	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCC(CC6)O)N	P11362	P21802	8.275724130399212	8.259637310505756	0.01608681989345584	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCN(CC6)C(=O)C)N	P11362	P21802	8.744727494896694	8.200659450546418	0.5440680443502757	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCNCC6)N	P11362	P21802	7.552841968657781	8.2518119729938	0.6989700043360187	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6)N	P11362	P21802	8.853871964321762	8.468521082957745	0.3853508813640172	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CN6CCOCC6C)N	P11362	P21802	8.568636235841012	8.366531544420413	0.20210469142059928	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)CO)N	P11362	P21802	7.823908740944319	7.638272163982407	0.18563657696191171	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)Cl)N	P11362	P21802	7.040958607678906	7.2441251443275085	0.2031665366486024	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)I)N	P11362	P21802	7.795880017344075	8.065501548756432	0.2696215314123567	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)N6CCOCC6)N	P11362	P21802	8.602059991327963	8.397940008672037	0.20411998265592501	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)NS(=O)(=O)C)N	P11362	P21802	7.6020599913279625	7.318758762624412	0.2833012287035501	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)O)N	P11362	P21802	7.568636235841013	7.7447274948966935	0.17609125905568046	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC)N	P11362	P21802	7.318758762624412	7.6777807052660805	0.3590219426416681	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6CCOCC6)N	P11362	P21802	8.522878745280337	8.366531544420413	0.15634720085992448	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OC6COC6)N	P11362	P21802	7.6777807052660805	7.698970004336019	0.021189299069938272	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCC6(COC6)C)N	P11362	P21802	9.09151498112135	7.920818753952375	1.1706962271689747	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCN(CC6)C)N	P11362	P21802	8.0	7.823908740944319	0.17609125905568135	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCCN6CCOCC6)N	P11362	P21802	8.568636235841012	8.494850021680094	0.07378621416091846	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)OCc6ccccc6)N	P11362	P21802	7.337242168318426	7.795880017344075	0.4586378490256493	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)S(=O)(=O)C)N	P11362	P21802	7.251811972993799	7.6777807052660805	0.42596873227228116	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)SC)N	P11362	P21802	7.481486060122113	7.698970004336019	0.21748394421390582	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6)S(=O)(=O)C)N	P11362	P21802	7.366531544420414	7.657577319177793	0.2910457747573796	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cc(cnc6OC)Cl)N	P11362	P21802	7.275724130399211	7.552841968657781	0.2771178382585697	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cc6)F)N	P11362	P21802	7.376750709602099	7.508638306165727	0.1318875965636277	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)C(F)(F)F)N	P11362	P21802	7.031517051446065	7.721246399047171	0.6897293476011059	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(cn6)F)N	P11362	P21802	7.657577319177793	8.259637310505756	0.6020599913279625	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccc(nc6)N7CCOCC7)N	P11362	P21802	7.5376020021010435	7.6020599913279625	0.06445798922691903	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccc(c6)C(F)(F)F)N	P11362	P21802	6.337242168318426	7.1938200260161125	0.8565778576976868	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6)N	P11362	P21802	7.301029995663981	7.585026652029182	0.28399665636520055	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6ccccc6OC)N	P11362	P21802	7.119186407719209	7.443697499232713	0.32451109151350455	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnc6OC)N	P11362	P21802	7.221848749616356	7.568636235841013	0.34678748622465694	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccnn6)N	P11362	P21802	7.7447274948966935	8.0	0.25527250510330646	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cccs6)N	P11362	P21802	7.443697499232713	8.0	0.5563025007672868	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cc5ccc(cc5[nH]4)c6cnn(c6)C)N	P11362	P21802	7.638272163982407	7.795880017344075	0.15760785336166805	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc(cc4)F)N	P11362	P21802	7.022276394711152	7.3979400086720375	0.3756636139608851	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc5cc[nH]c5c4)N	P11362	P21802	5.443697499232713	5.721246399047171	0.27754889981445796	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4ccc[nH]4)N	P11362	P21802	6.008773924307505	6.292429823902063	0.2836558995945584	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4cccc(c4)Cl)N	P11362	P21802	7.113509274827518	7.494850021680094	0.381340746852576	Same Family
[P11362, P21802]	Cc1[nH]c2ccc(cc2n1)n3c(c(cn3)C(=O)c4nc5ccccc5s4)N	P11362	P21802	7.42021640338319	7.657577319177793	0.2373609157946035	Same Family
[P11362, P21802]	Cc1cc(c2cc([nH]c2c1)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C)C	P11362	P21802	7.522878745280337	7.823908740944319	0.30102999566398125	Same Family
[P11362, P21802]	Cc1ccc(c(c1)C)c2[nH]c3c(n2)c(nc(n3)N)O	P11362	P21802	4.897909474488164	4.7517814388099255	0.14612803567823818	Same Family
[P11362, P21802]	Cc1ccc(c(c1)C)c2[nH]c3c(n2)c(nc(n3)NC(=O)C)O	P11362	P21802	5.018181392829336	5.039529222465701	0.0213478296363645	Same Family
[P11362, P21802]	Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)NC)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	P11362	P21802	8.744727494896694	8.823908740944319	0.07918124604762511	Same Family
[P11362, P21802]	Cc1ccc(cn1)c2ccc3cc([nH]c3c2)C(=O)c4cnn(c4N)c5ccc6c(c5)nc([nH]6)C	P11362	P21802	7.275724130399211	7.769551078621726	0.49382694822251505	Same Family
[P11362, P21802]	Cc1cccc2c1cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C	P11362	P21802	7.366531544420414	7.6777807052660805	0.3112491608456667	Same Family
[P11362, P21802]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P11362	P21802	7.187086643357144	7.4089353929735005	0.22184874961635614	Same Family
[P11362, P21802]	c1cc2c(c(c1)Br)c(c[nH]2)c3[nH]c4c(n3)c(nc(n4)N)O	P11362	P21802	5.315154638355588	5.039529222465701	0.27562541588988676	Same Family
[P11362, P21802]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P11362	P21802	5.366531544420414	5.568636235841013	0.20210469142059928	Same Family
[P11362, P21802]	c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)n4c(c(cn4)C(=O)c5cc6ccccc6[nH]5)N	P11362	P21802	7.086186147616283	6.494850021680094	0.5913361259361896	Same Family
[P11362, P21802]	c1ccc(cc1)c2[nH]c3c(n2)c(=O)[nH]c(n3)N	P11362	P21802	4.818728228440539	4.870954940112042	0.05222671167150317	Same Family
[P11362, P21802]	c1ccc2c(c1)c(c[nH]2)c3[nH]c4c(n3)c(nc(n4)N)O	P11362	P21802	5.273272790973428	5.018634490921456	0.25463830005197163	Same Family
[P11362, P21802]	c1ccc2c(c1)cc([nH]2)C(=O)c3cnn(c3N)c4ccc5c(c4)nc([nH]5)C(F)(F)F	P11362	P21802	7.619788758288394	6.698970004336019	0.9208187539523749	Same Family
[O14757, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P11362	O14757	8.200659450546418	8.540291951309868	0.3396325007634502	Different Group
[O14757, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P11362	O14757	4.90274269030658	4.522878745280337	0.37986394502624243	Different Group
[O14757, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P11362	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P11362	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P11362]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NCC4CCCO4)Cl	P11362	O14757	6.795880017344075	6.812479279163537	0.016599261819462363	Different Group
[O14757, P11362]	Cc1c2cc(cnc2[nH]n1)c3cccc(c3)NC(=O)C	P11362	O14757	5.221848749616356	6.633577042774028	1.4117282931576716	Different Group
[O14757, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	O14757	5.767003889607846	5.863279432843593	0.09627554323574739	Different Group
[O14757, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)N	P11362	O14757	7.439713034397075	6.13608262304214	1.303630411354935	Different Group
[O14757, P11362]	c1ccc2c(c1)c(c(c(=O)[nH]2)c3[nH]c4ccccc4n3)O	P11362	O14757	6.856659515322535	5.530177984021837	1.3264815313006988	Different Group
[O14965, P11362]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P11362	O14965	7.886056647693163	7.376750709602099	0.5093059380910638	Different Group
[O14965, P11362]	CC(c1ncc(cn1)F)Nc2nc3c(cc[nH]3)c(n2)Nc4cn(cn4)C	P11362	O14965	7.301029995663981	7.236572006437063	0.06445798922691814	Different Group
[O14965, P11362]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P11362	O14965	8.200659450546418	8.160579629225387	0.04007982132103116	Different Group
[O14965, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P11362	O14965	4.90274269030658	4.522878745280337	0.37986394502624243	Different Group
[O14965, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P11362	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P11362]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P11362	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P11362]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P11362	O14965	8.334419008982048	5.42021640338319	2.9142026055988577	Different Group
[O14965, P11362]	Cc1c2c(n[nH]1)Nc3cc(c(cc3C(=N2)c4ccccc4Cl)F)OC	P11362	O14965	7.552841968657781	7.236572006437063	0.31626996222071746	Different Group
[O14965, P11362]	Cc1cc(n(n1)C)C(=O)Nc2cc(ccc2F)Oc3ccc4nc(nn4c3)NC(=O)C5CC5	P11362	O14965	5.568636235841013	5.5376020021010435	0.031034233739969608	Different Group
[O14965, P11362]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	O14965	5.767003889607846	5.809668301829708	0.042664412221862236	Different Group
[O14965, P11362]	Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2	P11362	O14965	7.187086643357144	6.537602002101044	0.6494846412561	Different Group
[O14965, P11362]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3c5ccccc5c(=O)[nH]4	P11362	O14965	6.756961951313706	8.397940008672037	1.640978057358332	Different Group
[P11362, Q06187]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	P11362	Q06187	7.886056647693163	7.031517051446065	0.8545395962470979	Different Family
[P11362, Q06187]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P11362	Q06187	8.200659450546418	7.187086643357144	1.0135728071892736	Different Family
[P11362, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P11362, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P11362	Q06187	4.90274269030658	4.590574131328557	0.31216855897802276	Different Family
[P11362, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P11362	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P11362, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P11362	Q06187	4.522878745280337	4.522878745280337	0.0	Different Family
[P11362, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P11362	Q06187	5.767003889607846	6.022276394711152	0.25527250510330646	Different Family
[P11362, Q06187]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	P11362	Q06187	6.055517327849832	8.301029995663981	2.2455126678141495	Different Family
[P11362, Q06187]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P11362	Q06187	6.958607314841775	7.0	0.04139268515822536	Different Family
[P11362, Q06187]	c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	P11362	Q06187	5.366531544420414	5.119186407719209	0.24734513670120517	Different Family
[P08581, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08581	Q02763	4.5376020021010435	4.958607314841775	0.42100531274073116	Different Family
[P08581, Q02763]	CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OCC5CCCN5C)Cl	P08581	Q02763	4.863279432843593	5.497572880015567	0.6342934471719737	Different Family
[P08581, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08581	Q02763	4.6020599913279625	7.365243527891042	2.76318353656308	Different Family
[P08581, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08581	Q02763	4.455931955649724	5.841805124463402	1.3858731688136778	Different Family
[P08581, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P08581	Q02763	4.346787486224656	5.769551078621726	1.4227635923970698	Different Family
[P08581, Q02763]	Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	P08581	Q02763	5.619788758288394	6.698970004336019	1.079181246047625	Different Family
[P08581, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08581	Q02763	6.236572006437063	6.585026652029182	0.3484546455921187	Different Family
[P08581, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08581	Q02763	5.958607314841775	6.096910013008056	0.1383026981662816	Different Family
[P08581, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08581	Q02763	6.096910013008056	6.221848749616356	0.1249387366082999	Different Family
[P08581, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08581	Q02763	5.552841968657781	5.7447274948966935	0.19188552623891297	Different Family
[P08581, Q9UM73]	CC(C)C(C(=O)Nc1cccc(c1)Nc2ncc(c(n2)Nc3ccccc3S(=O)(=O)C(C)C)Cl)N	P08581	Q9UM73	6.863279432843593	7.826813731587726	0.9635342987441327	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)C(C)(C)N)Cl	P08581	Q9UM73	7.5718652059712115	8.259637310505756	0.6877721045345444	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)C(C)N)Cl	P08581	Q9UM73	8.161150909262744	8.744727494896694	0.5835765856339492	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)C(Cc4c[nH]cn4)N)Cl	P08581	Q9UM73	6.844663962534939	7.552841968657781	0.708178006122842	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)C4CCN4)Cl	P08581	Q9UM73	7.453457336521869	7.354577730650908	0.09887960587096156	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CCCN)Cl	P08581	Q9UM73	6.534617148551582	7.718966632752273	1.1843494842006912	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CCN)Cl	P08581	Q9UM73	7.3655227298392685	8.508638306165727	1.1431155763264584	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN)Cl	P08581	Q9UM73	6.815308569182402	8.191972402511707	1.3766638333293058	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CC5CC4CC5O)Cl	P08581	Q9UM73	6.950781977329818	8.522878745280337	1.5720967679505193	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CC5CC4CN5)Cl	P08581	Q9UM73	6.785156151952302	8.638272163982407	1.853116012030105	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CC5CNCC5C4)Cl	P08581	Q9UM73	6.61261017366127	8.259637310505756	1.6470271368444855	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCC5C4CNC5)Cl	P08581	Q9UM73	6.348721986001856	8.638272163982407	2.2895501779805505	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCN(CC4)C(=O)C=CCN(C)C)Cl	P08581	Q9UM73	6.991399828238082	9.154901959985743	2.163502131747661	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCN(CC4)C(=O)CO)Cl	P08581	Q9UM73	6.471083299722345	8.045757490560675	1.57467419083833	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCN(CC4)C)Cl	P08581	Q9UM73	6.2604276555499085	8.769551078621726	2.5091234230718173	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCN(CC4)C5COC5)Cl	P08581	Q9UM73	6.886056647693163	8.309803919971486	1.423747272278323	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCNCC4)Cl	P08581	Q9UM73	7.498940737782249	8.602059991327963	1.1031192535457137	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN4CCOCC4)Cl	P08581	Q9UM73	6.410050398674292	7.749579997691106	1.3395295990168146	Different Group
[P08581, Q9UM73]	CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)Cc4ccco4)Cl	P08581	Q9UM73	6.1979107421182675	7.496209316942819	1.2982985748245515	Different Group
[P08581, Q9UM73]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08581	Q9UM73	4.394694953858891	6.013228265733755	1.618533311874864	Different Group
[P08581, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08581	Q9UM73	5.505845405981558	5.6595558851598815	0.15371047917832392	Different Group
[P08581, Q9UM73]	CC1CN(CC(O1)C)CC(=O)Nc2cccc(c2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P08581	Q9UM73	6.8297382846050425	7.5934598195660445	0.763721534961002	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)NC4C5CC(C4C(=O)N)C=C5)Cl)C	P08581	Q9UM73	7.236572006437063	7.309803919971486	0.07323191353442304	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl)C	P08581	Q9UM73	8.124758696824747	7.829818329931128	0.294940366893619	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl)C(=O)C	P08581	Q9UM73	8.721246399047171	7.275724130399211	1.4455222686479603	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl)CC(=O)N(C)C	P08581	Q9UM73	8.142667503568731	7.42021640338319	0.7224511001855412	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)C	P08581	Q9UM73	7.200659450546419	8.455931955649724	1.2552725051033056	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C5CC5)Cl)C	P08581	Q9UM73	7.508638306165727	8.148741651280925	0.6401033451151985	Different Group
[P08581, Q9UM73]	CC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)NC)Cl)C	P08581	Q9UM73	7.508638306165727	8.886056647693163	1.3774183415274361	Different Group
[P08581, Q9UM73]	CC1CNCCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	P08581	Q9UM73	8.193820026016112	8.102372908709558	0.0914471173065543	Different Group
[P08581, Q9UM73]	CC=C1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl)C	P08581	Q9UM73	8.235541649861172	7.8278038631574445	0.40773778670372796	Different Group
[P08581, Q9UM73]	CCC(=O)N1CCc2ccc(cc2C(C1)C)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	P08581	Q9UM73	8.619788758288394	7.301029995663981	1.3187587626244124	Different Group
[P08581, Q9UM73]	CCCCC1CN(CCc2c1cc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl)C	P08581	Q9UM73	8.55284196865778	8.113509274827518	0.43933269383026285	Different Group
[P08581, Q9UM73]	CN(c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN)Cl)S(=O)(=O)C	P08581	Q9UM73	7.289036881004725	8.113509274827518	0.8244723938227931	Different Group
[P08581, Q9UM73]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	P08581	Q9UM73	5.1938200260161125	5.638272163982407	0.44445213796629446	Different Group
[P08581, Q9UM73]	CNC(=O)C1C2CC(C1Nc3c(cnc(n3)Nc4cccc(c4)NC(=O)CN)Cl)C=C2	P08581	Q9UM73	7.473660722610156	6.954677021213342	0.5189837013968139	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CCN(CCCC4)C)Cl	P08581	Q9UM73	7.481486060122113	7.443697499232713	0.03778856088939975	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3cc4c(cc3OC)CCN(CCCCC4)C)Cl	P08581	Q9UM73	6.1487416512809245	7.769551078621726	1.6208094273408014	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc4c(c3)C(=C)CN(CC4)C)Cl	P08581	Q9UM73	8.193820026016112	7.221848749616356	0.9719712763997563	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc4c(c3)C(=C)CNCC4)Cl	P08581	Q9UM73	8.214670164989233	7.721246399047171	0.4934237659420617	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc4c(c3)C(CN(CC4)C)c5ccccc5)Cl	P08581	Q9UM73	7.646862687520447	7.631403678647631	0.015459008872816149	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc4c(c3)CCCC(=O)N4C)Cl	P08581	Q9UM73	8.0	7.522878745280337	0.4771212547196626	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN)Cl	P08581	Q9UM73	8.187086643357144	7.484126156288321	0.7029604870688235	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CNC(=O)C4CCCN4)Cl	P08581	Q9UM73	7.785156151952302	7.095284454721319	0.6898716972309833	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CNC(=O)N4CCCC4)Cl	P08581	Q9UM73	7.279840696594043	6.552841968657781	0.7269987279362624	Different Group
[P08581, Q9UM73]	CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3nc4c(s3)CCNCC4)Cl	P08581	Q9UM73	7.698970004336019	7.209011524911184	0.4899584794248346	Different Group
[P08581, Q9UM73]	CS(=O)(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cccc(c3)NC(=O)CN)Cl	P08581	Q9UM73	6.921543181946707	7.024568191490737	0.10302500954403015	Different Group
[P08581, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08581	Q9UM73	6.236572006437063	6.7447274948966935	0.5081554884596304	Different Group
[P08581, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08581	Q9UM73	5.950781977329818	6.6020599913279625	0.6512780139981444	Different Group
[P08581, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08581	Q9UM73	5.06398920428479	5.29929628285498	0.23530707857019006	Different Group
[P08581, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08581	Q9UM73	5.015472686656207	5.010550182333308	0.004922504322899535	Different Group
[P08581, Q9UM73]	Cc1cc(cc(c1)O)c2c(cn(n2)CC#N)c3cc(nc(n3)c4cccnc4)NCC(C)O	P08581	Q9UM73	7.958607314841775	9.221848749616356	1.2632414347745815	Different Group
[P08581, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08581	Q9UM73	4.3223930472795065	5.380906669373258	1.0585136220937512	Different Group
[P08581, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08581	Q9UM73	4.560667306169737	5.360513510731414	0.7998462045616765	Different Group
[P08581, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08581	Q9UM73	4.145693958198919	5.325138859262188	1.1794449010632695	Different Group
[P08581, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08581	Q9UM73	4.468521082957745	5.0301183562535	0.5615972732957557	Different Group
[P08581, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08581	Q9UM73	4.107905397309519	5.1220530483708115	1.0141476510612923	Different Group
[P08581, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08581	Q9UM73	6.236572006437063	5.478861916295964	0.7577100901410994	Different Group
[P08581, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P08581	Q9UM73	5.2441251443275085	5.465907069126919	0.2217819247994104	Different Group
[P08581, Q9UM73]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P08581	Q9UM73	5.366531544420414	5.789198036565084	0.42266649214467034	Different Group
[P08581, Q9UM73]	c1cc2c(cc1N3CCCC3)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P08581	Q9UM73	8.096910013008056	6.468521082957745	1.6283889300503116	Different Group
[P08581, Q9UM73]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P08581	Q9UM73	5.292429823902063	5.41369853439507	0.12126871049300636	Different Group
[P08581, Q9UM73]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P08581	Q9UM73	5.113509274827518	5.200659450546418	0.08715017571890016	Different Group
[P08581, P31749]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P08581	P31749	4.394694953858891	4.135488918941608	0.2592060349172831	Different Group
[P08581, P31749]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08581	P31749	5.505845405981558	4.315154638355588	1.19069076762597	Different Group
[P08581, P31749]	CNc1nccc(n1)c2ccc(s2)C(=O)NC(Cc3ccc(cc3Cl)Cl)CN	P08581	P31749	5.958607314841775	8.221848749616356	2.2632414347745815	Different Group
[P08581, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08581	P31749	4.6020599913279625	4.0	0.6020599913279625	Different Group
[P08581, P31749]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08581	P31749	6.236572006437063	5.667561540084395	0.569010466352668	Different Group
[P08581, P31749]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08581	P31749	5.950781977329818	5.39040559077478	0.5603763865550384	Different Group
[P08581, P31749]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08581	P31749	5.06398920428479	4.634512015109101	0.42947718917568967	Different Group
[P08581, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P08581	P31749	3.7375489102695707	5.795880017344075	2.0583311070745043	Different Group
[P08581, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08581	P31749	6.236572006437063	5.476253533188435	0.7603184732486277	Different Group
[P08581, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08581	P31749	5.958607314841775	5.721246399047171	0.2373609157946035	Different Group
[P08581, P31749]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08581	P31749	6.236572006437063	5.268411234813262	0.9681607716238014	Different Group
[P08581, P31749]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P08581	P31749	6.962573502059376	7.958607314841775	0.9960338127823984	Different Group
[P08581, P31749]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08581	P31749	5.481486060122113	5.045757490560675	0.43572856956143813	Different Group
[O14965, P08581]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	P08581	O14965	4.5376020021010435	4.522878745280337	0.014723256820706077	Different Group
[O14965, P08581]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P08581	O14965	6.752026733638194	6.966576244513051	0.21454951087485696	Different Group
[O14965, P08581]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P08581	O14965	4.6020599913279625	4.6020599913279625	0.0	Different Group
[O14965, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08581	O14965	4.455931955649724	5.135985522789741	0.6800535671400167	Different Group
[O14965, P08581]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	P08581	O14965	4.346787486224656	5.187086643357144	0.8402991571324883	Different Group
[O14965, P08581]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	P08581	O14965	7.507239610973162	6.692503962086787	0.8147356488863746	Different Group
[O14965, P08581]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P08581	O14965	3.7375489102695707	5.008773924307505	1.2712250140379342	Different Group
[O14965, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08581	O14965	6.236572006437063	5.605548319173784	0.6310236872632791	Different Group
[O14965, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08581	O14965	5.958607314841775	7.0	1.0413926851582254	Different Group
[O14965, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08581	O14965	6.096910013008056	5.585026652029182	0.5118833609788744	Different Group
[O14965, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08581	O14965	5.552841968657781	5.4089353929735005	0.1439065756842801	Different Group
[P08581, P30530]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08581	P30530	5.505845405981558	4.882728704344236	0.623116701637322	Different Family
[P08581, P30530]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P08581	P30530	6.438898616350944	7.383756066823507	0.9448574504725631	Different Family
[P08581, P30530]	CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C	P08581	P30530	5.349485002168009	8.045757490560675	2.6962724883926654	Different Family
[P08581, P30530]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P08581	P30530	4.986320302708807	7.214670164989233	2.2283498622804254	Different Family
[P08581, P30530]	COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P08581	P30530	5.345823458122039	5.2441251443275085	0.10169831379453065	Different Family
[P08581, P30530]	Cc1c(c(=O)n(n1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6	P08581	P30530	7.318758762624412	8.0	0.6812412373755876	Different Family
[P08581, P30530]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08581	P30530	6.236572006437063	6.795880017344075	0.5593080109070119	Different Family
[P08581, P30530]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08581	P30530	5.950781977329818	6.657577319177793	0.7067953418479753	Different Family
[P08581, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08581	P30530	5.06398920428479	5.609064892896621	0.5450756886118304	Different Family
[P08581, P30530]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08581	P30530	5.015472686656207	5.1944991418416	0.17902645518539284	Different Family
[P08581, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	P08581	P30530	4.3223930472795065	4.8326826652518236	0.5102896179723171	Different Family
[P08581, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	P08581	P30530	4.560667306169737	4.694648630553377	0.1339813243836394	Different Family
[P08581, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	P08581	P30530	4.145693958198919	4.486782399932061	0.3410884417331417	Different Family
[P08581, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	P08581	P30530	4.468521082957745	4.6595558851598815	0.19103480220213687	Different Family
[P08581, P30530]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	P08581	P30530	4.107905397309519	4.772113295386326	0.6642078980768069	Different Family
[P08581, P30530]	Cn1cc(cn1)c2cc(c3nnc(n3c2)Sc4ccc5c(c4)c6c(cn5)N(C(=O)CO6)C)F	P08581	P30530	9.154901959985743	5.060980223551334	4.093921736434409	Different Family
[P08581, P30530]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P08581	P30530	5.294992040666664	5.494850021680094	0.19985798101342933	Different Family
[P08581, P30530]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P08581	P30530	5.221848749616356	5.399027104313252	0.17717835469689547	Different Family
[P08581, P30530]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08581	P30530	6.236572006437063	6.017728766960432	0.2188432394766311	Different Family
[P08581, P30530]	c1ccc2c(c1)cc3n2c4c(c(=O)n(c4=O)CCCSC(=N)N)n5ccc6c5c3ccc6	P08581	P30530	5.481486060122113	5.356547323513812	0.1249387366083008	Different Family
[O60285, P08581]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P08581	O60285	5.505845405981558	4.531652669587842	0.9741927363937153	Different Group
[O60285, P08581]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P08581	O60285	6.438898616350944	8.098541678603887	1.6596430622529432	Different Group
[O60285, P08581]	CNC(=N)SCCCn1c(=O)c2c(c1=O)n3c4ccccc4cc3c5cccc6c5n2cc6	P08581	O60285	5.130768280269024	5.013228265733755	0.11754001453526897	Different Group
[O60285, P08581]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	P08581	O60285	4.455931955649724	4.366531544420414	0.08940041122931053	Different Group
[O60285, P08581]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P08581	O60285	6.236572006437063	5.600326278518962	0.6362457279181015	Different Group
[O60285, P08581]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P08581	O60285	5.950781977329818	5.423658649794207	0.5271233275356106	Different Group
[O60285, P08581]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P08581	O60285	5.06398920428479	5.0	0.06398920428479027	Different Group
[O60285, P08581]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	P08581	O60285	5.015472686656207	4.525783735923745	0.48968895073246266	Different Group
[O60285, P08581]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P08581	O60285	6.236572006437063	6.292429823902063	0.05585781746500018	Different Group
[O60285, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P08581	O60285	5.958607314841775	5.7447274948966935	0.2138798199450811	Different Group
[O60285, P08581]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	P08581	O60285	6.096910013008056	5.769551078621726	0.32735893438633035	Different Group
[O60285, P08581]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P08581	O60285	6.236572006437063	5.293282217663241	0.9432897887738223	Different Group
[O60285, P08581]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	P08581	O60285	5.552841968657781	5.494850021680094	0.05799194697768684	Different Group
[O00444, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	Q02763	4.552841968657781	4.958607314841775	0.40576534618399407	Different Group
[O00444, Q02763]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	Q02763	4.356547323513813	4.958607314841775	0.6020599913279616	Different Group
[O00444, Q02763]	CC1(OCC(O1)Cn2cc(c3c2cccc3)C4=C(C(=O)NC4)c5cc(c(c(c5)OC)OC)OC)C	O00444	Q02763	4.638272163982407	4.508638306165727	0.12963385781668002	Different Group
[O00444, Q02763]	CC1CN(CC(O1)C)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	O00444	Q02763	8.55284196865778	7.657577319177793	0.8952646494799872	Different Group
[O00444, Q02763]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	Q02763	4.455931955649724	4.619788758288394	0.1638568026386693	Different Group
[O00444, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O00444	Q02763	5.113509274827518	4.468521082957745	0.6449881918697731	Different Group
[O00444, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	O00444	Q02763	6.00436480540245	5.841805124463402	0.16255968093904816	Different Group
[O00444, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	O00444	Q02763	5.0	5.2839966563652006	0.28399665636520055	Different Group
[O00444, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	O00444	Q02763	4.795880017344075	4.6020599913279625	0.19382002601611248	Different Group
[O00444, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	O00444	Q02763	5.045757490560675	5.769551078621726	0.7237935880610511	Different Group
[O00444, Q02763]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	O00444	Q02763	4.337242168318426	4.318758762624412	0.0184834056940133	Different Group
[O00444, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	O00444	Q02763	5.527243550682788	6.585026652029182	1.057783101346394	Different Group
[O00444, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	O00444	Q02763	5.3872161432802645	6.096910013008056	0.7096938697277917	Different Group
[O00444, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	O00444	Q02763	6.154901959985743	6.221848749616356	0.06694678963061307	Different Group
[O00444, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	O00444	Q02763	5.721246399047171	5.7447274948966935	0.023481095849522404	Different Group
[O00444, O14965]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	O14965	4.552841968657781	4.522878745280337	0.02996322337744317	Different Family
[O00444, O14965]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	O14965	4.356547323513813	4.481486060122113	0.1249387366082999	Different Family
[O00444, O14965]	CC1CN(CC(O1)C)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	O00444	O14965	8.55284196865778	6.853871964321762	1.6989700043360187	Different Family
[O00444, O14965]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	O00444	O14965	4.455931955649724	4.5376020021010435	0.08167004645131914	Different Family
[O00444, O14965]	CCc1ccccc1C(C(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)N(C)C	O00444	O14965	7.080921907623926	6.3979400086720375	0.6829818989518888	Different Family
[O00444, O14965]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O00444	O14965	5.113509274827518	5.494850021680094	0.381340746852576	Different Family
[O00444, O14965]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	O00444	O14965	6.00436480540245	5.135985522789741	0.8683792826127092	Different Family
[O00444, O14965]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	O00444	O14965	5.0	4.795880017344075	0.20411998265592501	Different Family
[O00444, O14965]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	O00444	O14965	4.795880017344075	4.327902142064283	0.46797787527979207	Different Family
[O00444, O14965]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	O00444	O14965	5.045757490560675	5.187086643357144	0.14132915279646951	Different Family
[O00444, O14965]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O00444	O14965	4.920818753952375	4.795880017344075	0.1249387366082999	Different Family
[O00444, O14965]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	O00444	O14965	5.036212172654444	5.494850021680094	0.4586378490256493	Different Family
[O00444, O14965]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	O00444	O14965	5.527243550682788	5.605548319173784	0.07830476849099632	Different Family
[O00444, O14965]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	O00444	O14965	5.3872161432802645	7.0	1.6127838567197355	Different Family
[O00444, O14965]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	O00444	O14965	6.154901959985743	5.585026652029182	0.5698753079565613	Different Family
[O00444, O14965]	c1cc(cc(c1)S(=O)(=O)N)c2c3cc(ccc3[nH]n2)NC(=O)C(c4ccsc4)N5CCCC5	O00444	O14965	7.050609993355087	6.045757490560675	1.004852502794412	Different Family
[O00444, O14965]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	O00444	O14965	5.721246399047171	5.4089353929735005	0.3123110060736707	Different Family
[O00444, O14965]	c1ccnc(c1)C(C2CC2)NC(=O)c3ccc4c(c3)c(n[nH]4)c5ccc(cc5)N6C7CCC6CC(C7)O	O00444	O14965	6.886056647693163	5.886056647693163	1.0	Different Family
[O00444, O60285]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O00444	O60285	5.113509274827518	5.7447274948966935	0.6312182200691758	Different Group
[O00444, O60285]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	O00444	O60285	6.00436480540245	4.366531544420414	1.6378332609820365	Different Group
[O00444, O60285]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	O00444	O60285	4.795880017344075	4.468521082957745	0.32735893438633035	Different Group
[O00444, O60285]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O00444	O60285	4.920818753952375	5.698970004336019	0.7781512503836439	Different Group
[O00444, O60285]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	O00444	O60285	5.036212172654444	5.309803919971486	0.2735917473170417	Different Group
[O00444, O60285]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4ccc(cc4)OC	O00444	O60285	4.337242168318426	5.443697499232713	1.1064553309142875	Different Group
[O00444, O60285]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	O00444	O60285	5.527243550682788	6.292429823902063	0.7651862732192756	Different Group
[O00444, O60285]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	O00444	O60285	5.3872161432802645	5.7447274948966935	0.357511351616429	Different Group
[O00444, O60285]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	O00444	O60285	6.154901959985743	5.769551078621726	0.3853508813640172	Different Group
[O00444, O60285]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	O00444	O60285	5.721246399047171	5.494850021680094	0.2263963773670774	Different Group
[P31749, P51955]	CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)NCCC(C)C)O)CCC=C2C)C	P51955	P31749	4.52432881167557	4.135488918941608	0.38883989273396224	Different Group
[P31749, P51955]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	P51955	P31749	4.8326826652518236	4.315154638355588	0.5175280268962359	Different Group
[P31749, P51955]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P51955	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P51955]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P51955	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, P51955]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	P51955	P31749	5.022276394711152	5.318758762624412	0.29648236791326	Different Group
[P31749, P51955]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	P51955	P31749	5.73754891026957	5.667561540084395	0.0699873701851752	Different Group
[P31749, P51955]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	P51955	P31749	5.422508200162775	5.39040559077478	0.03210260938799525	Different Group
[P31749, P51955]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	P51955	P31749	5.183758700008217	4.634512015109101	0.5492466848991162	Different Group
[P31749, P51955]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P51955	P31749	5.600326278518962	5.508638306165727	0.09168797235323467	Different Group
[P31749, P51955]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	P51955	P31749	5.24184537803261	5.268411234813262	0.026565856780651487	Different Group
[P31749, P51955]	c1ccc(c(c1)CN2c3ccc(cc3Cc4cc(oc4C2=O)c5ccc(cc5)Cl)N6CCNCC6)c7cccnc7	P51955	P31749	4.886056647693163	4.795880017344075	0.09017663034908807	Different Group
[P53667, P53671]	CC(=O)Nc1cc(ncn1)N2CCC(CC2)(C(=O)Nc3cccc(c3)C(=O)OC)N	P53667	P53671	6.621602099051862	6.306273051076353	0.3153290479755091	Same Family
[P53667, P53671]	CC(=O)Nc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OC)Cl	P53667	P53671	7.522878745280337	8.096910013008056	0.5740312677277188	Same Family
[P53667, P53671]	CCC(C)OC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	P53667	P53671	7.301029995663981	8.337242168318426	1.0362121726544444	Same Family
[P53667, P53671]	CCC(CC)Oc1cc(c(c(c1)C)c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)C(C)C)C	P53667	P53671	6.764471553092451	6.610833915635467	0.1536376374569839	Same Family
[P53667, P53671]	CCC(CC)Oc1cc(c(c(c1)C)c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)C)C	P53667	P53671	7.1938200260161125	6.507239610973162	0.6865804150429504	Same Family
[P53667, P53671]	CCC(CC)Oc1cc(c(c(c1)C)c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)NC)C	P53667	P53671	7.180456064458132	6.761953896871205	0.4185021675869267	Same Family
[P53667, P53671]	CCC(CC)Oc1cc(c(c(c1)C)c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)OC)C	P53667	P53671	6.6439741428068775	6.4179366370882915	0.22603750571858594	Same Family
[P53667, P53671]	CCCCCOc1ccc(c(c1)Cl)c2cc(nc(n2)c3cnccn3)c4cnc(s4)NCCC	P53667	P53671	6.35261702988538	5.811071516239147	0.5415455136462333	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OC(CC)CC)Cl	P53667	P53671	6.787812395596042	5.815024809301739	0.9727875862943032	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OC)Cl	P53667	P53671	7.42021640338319	7.795880017344075	0.3756636139608851	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OC5CCCC5)Cl	P53667	P53671	6.6020599913279625	6.0915149811213505	0.510545010206612	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OCCC)Cl	P53667	P53671	6.939302159646388	6.85078088734462	0.08852127230176787	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4cc(ccc4Cl)OC	P53667	P53671	4.903089986991944	6.119186407719209	1.2160964207272649	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4cc(ccc4Cl)OCCC	P53667	P53671	5.984221243610959	6.767003889607846	0.7827826459968872	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4cc(ccc4Cl)OCCC5CCCCC5	P53667	P53671	6.838631997765025	7.552841968657781	0.7142099708927558	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4ccc(cc4C)OC(CC)CC	P53667	P53671	6.671620396561262	5.912928794093465	0.7586916024677972	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4ccc(cc4Cl)OC	P53667	P53671	5.779107750780481	5.909389292171594	0.13028154139111248	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4ccc(cc4Cl)OC(CC)CC	P53667	P53671	6.444905551421681	4.301029995663981	2.1438755557577	Same Family
[P53667, P53671]	CCCNc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4ccc(cc4Cl)OC5CCCC5	P53667	P53671	6.6777807052660805	4.301029995663981	2.376750709602099	Same Family
[P53667, P53671]	CCCOC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c(c[nH]c4ncn3)C)CN(C)C	P53667	P53671	7.301029995663981	8.67778070526608	1.3767507096020992	Same Family
[P53667, P53671]	CCNC(=O)Nc1cccc(c1)c2ccc3c(c2)sc4c3ncnc4N	P53667	P53671	7.060480747381382	6.785156151952302	0.2753245954290797	Same Family
[P53667, P53671]	CN(C)C(=O)Oc1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c5c([nH]c4ncn3)CCCC5)CN	P53667	P53671	7.638272163982407	9.154901959985743	1.5166297960033361	Same Family
[P53667, P53671]	CN(C)C(=O)Oc1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c5c([nH]c4ncn3)CCCC5)N	P53667	P53671	7.657577319177793	9.0	1.3424226808222066	Same Family
[P53667, P53671]	CN(C)C(=O)Oc1cccc(c1)NC(=O)C2(CCN(CC2)c3c4c5c([nH]c4ncn3)CCCC5)N(C)C	P53667	P53671	7.7447274948966935	9.698970004336019	1.9542425094393252	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)C#N)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.6020599913279625	8.397940008672037	0.795880017344075	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3c(c[nH]c3ncn2)F)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.698970004336019	8.55284196865778	0.8538719643217618	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3c(ncn2)NC(=O)C3)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	6.0	5.730487055782084	0.26951294421791605	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3c4c([nH]c3ncn2)CCCC4)C(=O)Nc5cccc(c5)OC(=O)N(C)C	P53667	P53671	7.698970004336019	9.698970004336019	2.0	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3cc[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.638272163982407	7.886056647693163	0.24778448371075612	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2c3cn[nH]c3ncn2)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	6.549750891680639	6.714442690992226	0.16469179931158706	Same Family
[P53667, P53671]	CN(C)CC1(CCN(CC1)c2ccnc3c2cn[nH]3)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.187086643357144	6.562249437179612	0.6248372061775322	Same Family
[P53667, P53671]	CN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	P53667	P53671	5.494850021680094	7.4089353929735005	1.9140853712934067	Same Family
[P53667, P53671]	CNC(=O)Nc1ncc(s1)c2cc(nc(n2)c3cnccn3)c4c(cc(cc4Cl)OC)Cl	P53667	P53671	7.494850021680094	7.920818753952375	0.42596873227228116	Same Family
[P53667, P53671]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P53667	P53671	7.508638306165727	8.017728766960431	0.5090904607947042	Same Family
[P53667, P53671]	COC(=O)c1cccc(c1)NC(=O)C2(CCN(CC2)c3cc(ncn3)N)N	P53667	P53671	6.024568191490737	5.341035157335565	0.6835330341551726	Same Family
[P53667, P53671]	Cc1c([nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC)C	P53667	P53671	7.585026652029182	8.795880017344075	1.2108533653148932	Same Family
[P53667, P53671]	Cc1c([nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C)C	P53667	P53671	7.657577319177793	8.853871964321762	1.1962946451439684	Same Family
[P53667, P53671]	Cc1c([nH]c2c1c(ncn2)N3CCC(CC3)(CN)C(=O)Nc4cccc(c4)OC(=O)N(C)C)C	P53667	P53671	7.657577319177793	8.853871964321762	1.1962946451439684	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N	P53667	P53671	7.7447274948966935	8.130768280269024	0.3860407853723302	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(C(=O)Nc4cccc(c4)C(=O)OC)N(C)C	P53667	P53671	7.431798275933005	7.920818753952375	0.4890204780193699	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CCN(C)C)C(=O)Nc4cccc(c4)OC(=O)N(C)C	P53667	P53671	6.872895201635193	8.136677139879543	1.2637819382443505	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4ccc(cc4)C(=O)OC	P53667	P53671	7.3872161432802645	8.113509274827518	0.7262931315472532	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.568636235841013	8.823908740944319	1.2552725051033056	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC(C)C	P53667	P53671	7.3872161432802645	8.657577319177793	1.2703611758975288	Same Family
[P53667, P53671]	Cc1c[nH]c2c1c(ncn2)N3CCC(CC3)(CN)C(=O)Nc4cccc(c4)OC(=O)N(C)C	P53667	P53671	7.4607483400485055	8.429116766124261	0.9683684260757559	Same Family
[P53667, P53671]	Cc1cc(cc(c1c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)C)C)OC	P53667	P53671	7.060480747381382	7.229147988357856	0.16866724097647445	Same Family
[P53667, P53671]	Cc1cc(cc(c1c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)NC)C)OC	P53667	P53671	7.638272163982407	7.795880017344075	0.15760785336166805	Same Family
[P53667, P53671]	Cc1cc(cc(c1c2cc(nc(n2)c3cnccn3)c4cnc(s4)NC(=O)OC)C)OC	P53667	P53671	6.546681659952962	6.694648630553377	0.14796697060041453	Same Family
[P53667, P53671]	Cc1cc2c([nH]1)ncnc2N3CCC(CC3)(CN(C)C)C(=O)Nc4cccc(c4)C(=O)OC	P53667	P53671	7.638272163982407	8.096910013008056	0.4586378490256493	Same Family
[P53667, P53671]	Cc1ccc(c(c1)Cl)c2cnccc2c3cnc(s3)NC(=O)C(C)C	P53667	P53671	9.0	8.522878745280337	0.4771212547196626	Same Family
[P53667, P53671]	c1cc(cc(c1)C(=O)N)c2ccc3c(c2)sc4c3ncnc4N	P53667	P53671	6.920818753952375	6.5638373529592435	0.35698140099313136	Same Family
[P53667, P53671]	c1cc(cc(c1)c2n[nH]nn2)c3ccc4c(c3)sc5c4ncnc5N	P53667	P53671	7.301029995663981	7.045757490560675	0.25527250510330646	Same Family
[P07948, P09769]	CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	P07948	P09769	5.928117992693875	4.85078088734462	1.0773371053492546	Same Family
[P07948, P09769]	CN(C)C1CCCN(C1)c2ccc(cc2NC(=O)c3cc(ccc3F)C#Cc4cnc(nc4)N)C(F)(F)F	P07948	P09769	6.7447274948966935	7.366531544420414	0.6218040495237203	Same Family
[P07948, P09769]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P07948	P09769	5.309803919971486	5.080921907623926	0.2288820123475599	Same Family
[P07948, P09769]	Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	P07948	P09769	5.856430705489719	5.710634048479968	0.14579665700975042	Same Family
[P07948, P09769]	Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	P07948	P09769	7.176896193896658	7.3872161432802645	0.21031994938360654	Same Family
[P07948, P09769]	Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)C)Cl	P07948	P09769	8.397940008672037	9.096910013008056	0.6989700043360187	Same Family
[P07948, P09769]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	P07948	P09769	5.309803919971486	5.229147988357856	0.08065593161362994	Same Family
[P07948, P09769]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	P07948	P09769	5.468521082957745	5.552841968657781	0.08432088570003593	Same Family
[P07948, P09769]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	P07948	P09769	5.1249387366083	5.1938200260161125	0.06888128940781257	Same Family
[P07948, P09769]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	P07948	P09769	5.1938200260161125	5.060480747381382	0.13333927863473072	Same Family
[O14965, Q9UQB9]	CC(=O)ON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q9UQB9	O14965	6.154901959985743	5.638272163982407	0.5166297960033361	Same Family
[O14965, Q9UQB9]	CC(=O)ON=C1c2ccccc2NC1=C3c4cccc(c4NC3=O)F	Q9UQB9	O14965	6.0	4.698970004336019	1.3010299956639813	Same Family
[O14965, Q9UQB9]	CCc1cccc(c1NC(=O)N2Cc3c([nH]nc3NC(=O)c4ccc(cc4)N5CCN(CC5)C)C2)CC	Q9UQB9	O14965	6.920818753952375	7.568636235841013	0.6478174818886382	Same Family
[O14965, Q9UQB9]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	Q9UQB9	O14965	6.537602002101044	6.966576244513051	0.4289742424120062	Same Family
[O14965, Q9UQB9]	CON=C1c2ccccc2N=C1c3c4ccccc4[nH]c3O	Q9UQB9	O14965	6.3979400086720375	5.366531544420414	1.0314084642516237	Same Family
[O14965, Q9UQB9]	Cc1c([nH]c(c1C(=O)O)C)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)OC	Q9UQB9	O14965	6.813891620186795	6.692503962086787	0.12138765810000773	Same Family
[O14965, Q9UQB9]	Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3nc([nH]4)N5CCN(CC5)C)Br	Q9UQB9	O14965	7.721246399047171	7.823908740944319	0.10266234189714751	Same Family
[O14965, Q9UQB9]	c1cc([nH]c1)C=C2c3ccc(cc3NC2=O)NC(=O)CC(=O)Nc4ccc(cc4)F	Q9UQB9	O14965	7.172630726946175	6.258139605934736	0.914491121011439	Same Family
[O14965, Q9UQB9]	c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	Q9UQB9	O14965	5.709965388637482	6.721246399047171	1.0112810104096894	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2	Q9UQB9	O14965	6.698970004336019	6.221848749616356	0.4771212547196626	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	Q9UQB9	O14965	5.323306390375134	5.872895201635193	0.5495888112600591	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)O)c3c(c4ccccc4[nH]3)N=O	Q9UQB9	O14965	6.522878745280337	5.3979400086720375	1.1249387366083	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)Br)N=O	Q9UQB9	O14965	6.154901959985743	4.0	2.154901959985743	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)c(c([nH]2)c3c4cccc(c4[nH]c3O)F)N=O	Q9UQB9	O14965	6.0	5.698970004336019	0.30102999566398125	Same Family
[O14965, Q9UQB9]	c1ccc2c(c1)c3c(ccnc3[nH]2)Nc4cccc(c4)O	Q9UQB9	O14965	6.586700235918748	6.6020599913279625	0.015359755409214415	Same Family
[O94768, Q9UEE5]	CC(=CC(=O)Nc1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2)C	O94768	Q9UEE5	7.853871964321762	6.920818753952375	0.9330532103693869	Same Family
[O94768, Q9UEE5]	CC(C)(C)C(=O)Nc1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2	O94768	Q9UEE5	7.6777807052660805	7.494850021680094	0.18293068358598674	Same Family
[O94768, Q9UEE5]	CC(C)(C)CC(=O)Nc1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2	O94768	Q9UEE5	7.853871964321762	7.619788758288394	0.23408320603336819	Same Family
[O94768, Q9UEE5]	CCCC(=O)Nc1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2	O94768	Q9UEE5	8.0	7.920818753952375	0.07918124604762511	Same Family
[O94768, Q9UEE5]	CCCCC(=O)Nc1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2	O94768	Q9UEE5	8.522878745280337	7.292429823902063	1.230448921378274	Same Family
[O94768, Q9UEE5]	COc1ccc(cc1)C(=O)Nc2ccc3c(c2)C(=C4C(=NO)c5ccccc5N4)C(=O)N3	O94768	Q9UEE5	6.481486060122113	6.443697499232713	0.03778856088939975	Same Family
[O94768, Q9UEE5]	COc1ccc(cc1OC)c2cnc3c(n2)c(cs3)NC(=O)C4CCCCC4	O94768	Q9UEE5	5.749579997691106	5.306273051076353	0.44330694661475345	Same Family
[O94768, Q9UEE5]	Cc1ccc(cc1)C(=O)Nc2ccc3c(c2)C(=C4C(=NO)c5ccccc5N4)C(=O)N3	O94768	Q9UEE5	5.886056647693163	5.886056647693163	0.0	Same Family
[O94768, Q9UEE5]	c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(=C4C(=NO)c5ccccc5N4)C(=O)N3	O94768	Q9UEE5	6.698970004336019	6.443697499232713	0.25527250510330557	Same Family
[O94768, Q9UEE5]	c1ccc(cc1)C=CC(=O)Nc2ccc3c(c2)C(=C4C(=NO)c5ccccc5N4)C(=O)N3	O94768	Q9UEE5	6.154901959985743	5.958607314841775	0.19629464514396844	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)C5CC5)N2	O94768	Q9UEE5	8.096910013008056	7.6777807052660805	0.41912930774197577	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)C5CCCCC5)N2	O94768	Q9UEE5	6.920818753952375	6.958607314841775	0.03778856088939975	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)COc5cccc(c5)Cl)N2	O94768	Q9UEE5	6.022276394711152	6.337242168318426	0.3149657736072733	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5cc(cc(c5)[N+](=O)[O-])[N+](=O)[O-])N2	O94768	Q9UEE5	7.113509274827518	7.619788758288394	0.5062794834608759	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5ccc(cc5)Cl)N2	O94768	Q9UEE5	5.494850021680094	5.522878745280337	0.028028723600243666	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5ccc(cc5)F)N2	O94768	Q9UEE5	5.920818753952375	6.107905397309519	0.1870866433571443	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5ccc(cc5)[N+](=O)[O-])N2	O94768	Q9UEE5	5.886056647693163	6.301029995663981	0.4149733479708182	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5ccccc5C(F)(F)F)N2	O94768	Q9UEE5	6.920818753952375	6.494850021680094	0.42596873227228116	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)C(=NO)C(=C3c4cc(ccc4NC3=O)NC(=O)c5ccccc5F)N2	O94768	Q9UEE5	6.537602002101044	6.6020599913279625	0.06445798922691814	Same Family
[O94768, Q9UEE5]	c1ccc2c(c1)cccc2C(=O)Nc3ccc4c(c3)C(=C5C(=NO)c6ccccc6N5)C(=O)N4	O94768	Q9UEE5	5.823908740944319	6.154901959985743	0.3309932190414244	Same Family
[P33981, Q9P1W9]	CC(C)(CN)Cn1cc(c2c1c3c(cc2)cnc(n3)SC)C(=O)N	P33981	Q9P1W9	5.531062194334539	7.468521082957745	1.9374588886232056	Different Group
[P33981, Q9P1W9]	CC(C)n1cc(c2c1-c3c(cnc(n3)SC)CC2)C(=O)N	P33981	Q9P1W9	6.4179366370882915	7.619788758288394	1.201852121200102	Different Group
[P33981, Q9P1W9]	CSc1ncc2c(n1)-c3c(c(cn3C4CCC(CC4)N)C(=O)N)CC2	P33981	Q9P1W9	5.809668301829708	8.154901959985743	2.345233658156035	Different Group
[P33981, Q9P1W9]	CSc1ncc2c(n1)-c3c(c(cn3CCO)C(=O)N)CC2	P33981	Q9P1W9	5.612076533026563	6.267606240177032	0.6555297071504684	Different Group
[P33981, Q9P1W9]	CSc1ncc2ccc3c(c[nH]c3c2n1)C(=O)N	P33981	Q9P1W9	6.089375595110798	7.337242168318426	1.2478665732076273	Different Group
[P33981, Q9P1W9]	CSc1ncc2ccc3c(cn(c3c2n1)C4CCC(CC4)N)C(=O)N	P33981	Q9P1W9	6.068033885271827	9.0	2.931966114728173	Different Group
[P33981, Q9P1W9]	CSc1ncc2ccc3c(cn(c3c2n1)C4CCNCC4)C(=O)N	P33981	Q9P1W9	5.341797746612985	7.638272163982407	2.2964744173694216	Different Group
[P33981, Q9P1W9]	Cc1c(c2ccc3cnc(nc3c2n1C(C)C)SC)C(=O)N	P33981	Q9P1W9	6.206209615309182	7.920818753952375	1.7146091386431932	Different Group
[P33981, Q9P1W9]	Cc1c(c2ccc3cnc(nc3c2n1CCO)SC)C(=O)N	P33981	Q9P1W9	5.531652669587842	6.38933983691012	0.8576871673222781	Different Group
[P33981, Q9P1W9]	Cn1c-2c(c(n1)C(=O)N)CCCc3c2nc(nc3)Nc4ccc(cc4)N5CCN(CC5)C	P33981	Q9P1W9	5.922268820347608	5.443818153347089	0.4784506670005193	Different Group
[P33981, Q9P1W9]	Cn1c-2c(c(n1)C(=O)N)CCCc3c2nc(nc3)Nc4ccc(cc4OC)N5CCN(CC5)C	P33981	Q9P1W9	6.7121982700697735	5.228192121000895	1.484006149068879	Different Group
[P33981, Q9P1W9]	Cn1c-2c(c(n1)C(=O)NC(CN)c3ccccc3)CCCc4c2nc(nc4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C	P33981	Q9P1W9	6.328827157284917	5.424696666577601	0.904130490707316	Different Group
[O14965, P33981]	CCOc1ccccc1Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.236572006437063	5.070581074285707	2.165990932151356	Different Family
[O14965, P33981]	CCc1ccccc1C(C(=O)Nc2ccc3c(c2)c(n[nH]3)c4cccc(c4)S(=O)(=O)N)N(C)C	P33981	O14965	8.443697499232712	6.3979400086720375	2.045757490560675	Different Family
[O14965, P33981]	CN(C)S(=O)(=O)c1ccc(cc1)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.795880017344075	5.494850021680094	2.3010299956639813	Different Family
[O14965, P33981]	CN1CCC(CC1)Oc2ccc(cc2)c3c4cc(ccc4[nH]n3)C(=O)NC(c5ccsc5)C6CCCC6	P33981	O14965	8.568636235841012	5.698970004336019	2.8696662315049934	Different Family
[O14965, P33981]	CN1CCC(CC1)Oc2ccc(cc2)c3c4cc(ccc4[nH]n3)NC(=O)C(c5ccccn5)C6CCCC6	P33981	O14965	8.0	5.698970004336019	2.3010299956639813	Different Family
[O14965, P33981]	CN1CCC(CC1)Oc2ccc(cc2)c3c4cc(ccc4[nH]n3)NC(=O)C(c5ccsc5)C6CCCC6	P33981	O14965	8.096910013008056	5.638272163982407	2.4586378490256493	Different Family
[O14965, P33981]	COCCn1cc(cn1)Nc2ncc(c(n2)NCc3cccc(c3)NC(=O)C=C)Cl	P33981	O14965	6.673664139071248	7.366531544420414	0.6928674053491655	Different Family
[O14965, P33981]	COc1ccc(c(c1)Cl)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.698970004336019	4.6777807052660805	3.0211892990699383	Different Family
[O14965, P33981]	COc1ccc(cc1)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.292429823902063	5.7447274948966935	1.5477023290053697	Different Family
[O14965, P33981]	COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.6020599913279625	5.585026652029182	2.0170333392987807	Different Family
[O14965, P33981]	COc1ccccc1Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	P33981	O14965	7.6020599913279625	4.552841968657781	3.049218022670182	Different Family
[O14965, P33981]	Cn1cncc1c2cc3cnc(cc3[nH]2)Nc4ccccc4OC	P33981	O14965	6.1938200260161125	4.142667503568732	2.0511525224473806	Different Family
[O14965, P33981]	c1cc(cc(c1)S(=O)(=O)N)c2c3cc(ccc3[nH]n2)NC(=O)C(c4ccsc4)N5CCCC5	P33981	O14965	8.537602002101044	6.045757490560675	2.4918445115403696	Different Family
[O14965, P33981]	c1cc(ccc1Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2)OCCN5CCOCC5	P33981	O14965	7.200659450546419	5.0915149811213505	2.1091444694250683	Different Family
[O14965, P33981]	c1cc(ccc1c2c3cc(ccc3[nH]n2)C(=O)NCC4(CCCCC4)N5CCOCC5)N6CCOCC6	P33981	O14965	8.113509274827518	5.638272163982407	2.4752371108451108	Different Family
[O14965, P33981]	c1cc(ccc1c2c3cc(ccc3[nH]n2)NC(=O)CC4(CCCCC4)N5CCOCC5)N6CCOCC6	P33981	O14965	7.920818753952375	5.6777807052660805	2.2430380486862944	Different Family
[O14965, P33981]	c1ccc(c(c1)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2)Cl	P33981	O14965	7.552841968657781	4.309803919971486	3.2430380486862944	Different Family
[O14965, P33981]	c1ccnc(c1)C(C2CC2)NC(=O)c3ccc4c(c3)c(n[nH]4)c5ccc(cc5)N6C7CCC6CC(C7)O	P33981	O14965	8.698493328325798	5.886056647693163	2.8124366806326346	Different Family
[O14965, P33981]	c1cnn(c1)Cc2ccc(cc2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	P33981	O14965	7.6777807052660805	5.376750709602099	2.3010299956639813	Different Family
[P28482, P31749]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P28482	P31749	4.565431095965801	9.096910013008056	4.531478917042255	Different Group
[P28482, P31749]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P28482	P31749	4.568636235841013	5.585026652029182	1.0163904161881687	Different Group
[P28482, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P28482, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P28482	P31749	4.522878745280337	4.730954290342377	0.20807554506203996	Different Group
[P28482, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P28482	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P28482, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P28482	P31749	4.522878745280337	4.522878745280337	0.0	Different Group
[P28482, P31749]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	P28482	P31749	5.301029995663981	6.055517327849832	0.7544873321858505	Different Group
[P28482, P31749]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	P28482	P31749	4.698970004336019	5.318758762624412	0.6197887582883936	Different Group
[P28482, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	P31749	4.522878745280337	5.508638306165727	0.9857595608853895	Different Group
[P28482, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P28482	P31749	4.327902142064283	4.853871964321762	0.5259698222574789	Different Group
[P28482, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P28482	P31749	4.42021640338319	5.795880017344075	1.375663613960885	Different Group
[P28482, P31749]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	P28482	P31749	4.6020599913279625	4.823908740944319	0.22184874961635614	Different Group
[P28482, P31749]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P28482	P31749	4.886056647693163	6.107905397309519	1.2218487496163561	Different Group
[P28482, P31749]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P28482	P31749	4.0	4.413412695328245	0.4134126953282449	Different Group
[P28482, P31749]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P28482	P31749	4.431798275933005	8.744727494896694	4.3129292189636885	Different Group
[P28482, P31749]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P28482	P31749	5.920818753952375	8.468521082957745	2.5477023290053697	Different Group
[P28482, P31749]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P28482	P31749	5.3979400086720375	7.698970004336019	2.3010299956639813	Different Group
[P28482, P31749]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P28482	P31749	4.698970004336019	5.443697499232713	0.7447274948966944	Different Group
[O14757, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P28482	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P28482	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P28482	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P28482]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	P28482	O14757	5.301029995663981	8.154901959985743	2.853871964321762	Different Group
[O14757, P28482]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	P28482	O14757	4.698970004336019	8.715899137966503	4.016929133630484	Different Group
[O14757, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	O14757	4.522878745280337	5.863279432843593	1.340400687563256	Different Group
[O14757, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P28482	O14757	4.327902142064283	4.7447274948966935	0.4168253528324106	Different Group
[O14757, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P28482	O14757	4.42021640338319	5.7447274948966935	1.3245110915135037	Different Group
[O14757, P28482]	c1c2c([nH]c1Br)C(=O)NCCC2=C3C(=O)N=C(N3)N	P28482	O14757	8.133803120088515	5.709965388637482	2.4238377314510338	Different Group
[O14757, P28482]	c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O	P28482	O14757	6.084072788302884	6.139661993429006	0.055589205126121755	Different Group
[O14757, P28482]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	P28482	O14757	4.6020599913279625	6.086186147616283	1.4841261562883208	Different Group
[O14757, P28482]	c1ccc2c(c1)C3=C(CCNC(=O)C3=N2)c4c([nH]c(n4)N)O	P28482	O14757	7.050609993355087	6.628017898289877	0.4225920950652098	Different Group
[O14757, P28482]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)C=Cc4ccncc4)N	P28482	O14757	4.891096872332686	4.795880017344075	0.09521685498861121	Different Group
[O14757, P28482]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnccc5c4)N	P28482	O14757	6.040958607678906	5.376750709602099	0.6642078980768069	Different Group
[O14965, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P28482	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P28482	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P28482]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P28482	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P28482]	CN1CCN(CC1)Cc2ccc(cc2)c3cc4c(c[nH]c4nc3)c5ccc6c(c5)cc[nH]6	P28482	O14965	5.201349354554731	6.966576244513051	1.7652268899583197	Different Group
[O14965, P28482]	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	P28482	O14965	6.960585880823863	5.42021640338319	1.5403694774406729	Different Group
[O14965, P28482]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P28482	O14965	4.522878745280337	5.809668301829708	1.2867895565493708	Different Group
[O14965, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P28482	O14965	4.327902142064283	5.107905397309519	0.7800032552452363	Different Group
[O14965, P28482]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P28482	O14965	4.42021640338319	5.008773924307505	0.588557520924315	Different Group
[O14965, P28482]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P28482	O14965	4.0	5.872895201635193	1.8728952016351927	Different Group
[O14965, P28482]	c1ccnc(c1)C(C2CC2)NC(=O)c3ccc4c(c3)c(n[nH]4)c5ccc(cc5)N6C7CCC6CC(C7)O	P28482	O14965	6.494850021680094	5.886056647693163	0.6087933739869307	Different Group
[P28482, Q86Z02]	CCNC(=O)Nc1ccc2c(n1)cc(cn2)c3ccc(c(c3)OC)OC	P28482	Q86Z02	6.129596094720973	4.866461091629782	1.2631350030911905	Different Family
[P28482, Q86Z02]	COc1ccc(cc1)NC(=O)Nc2cncc3c2ncc(n3)c4ccccc4	P28482	Q86Z02	5.279840696594043	4.689731633367552	0.5901090632264907	Different Family
[P28482, Q86Z02]	COc1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	5.841637507904751	5.139661993429006	0.7019755144757447	Different Family
[P28482, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4cc(ccc4OC)OC	P28482	Q86Z02	5.421360790031928	4.882728704344236	0.5386320856876923	Different Family
[P28482, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	5.504455662453552	5.493494967595128	0.010960694858423992	Different Family
[P28482, Q86Z02]	COc1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P28482	Q86Z02	5.370590400897281	5.39577394691553	0.02518354601824946	Different Family
[P28482, Q86Z02]	COc1cccc(c1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P28482	Q86Z02	4.779107750780481	4.897909474488164	0.1188017237076826	Different Family
[P28482, Q86Z02]	c1ccc(cc1)Nc2cncc3c2nc(cn3)c4ccc(cc4)N5CCCCC5	P28482	Q86Z02	4.913284336055118	4.926281649653878	0.012997313598759774	Different Family
[P28482, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)ccnc3Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	5.847711655616943	6.035269078946371	0.1875574233294275	Different Family
[P28482, Q86Z02]	c1ccc(cc1)c2cnc3c(n2)cncc3Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	5.6307841425898575	5.5638373529592435	0.06694678963061396	Different Family
[P28482, Q86Z02]	c1ccc(cc1)c2cnc3cnc(cc3n2)Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	4.633763876281707	4.515557792357593	0.11820608392411369	Different Family
[P28482, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCCCC5	P28482	Q86Z02	5.694648630553377	5.586700235918748	0.10794839463462846	Different Family
[P28482, Q86Z02]	c1ccc(cc1)c2cnc3cncc(c3n2)Nc4ccc(cc4)N5CCOCC5	P28482	Q86Z02	5.074172425375258	5.088842391260023	0.014669965884765546	Different Family
[O14965, P25098]	CC(=O)Nc1cc(ccc1Cl)NC(C)(C)C(=O)Nc2nc3c(cc4c(c3s2)cn[nH]4)C(F)(F)F	P25098	O14965	8.698970004336019	6.6439741428068775	2.0549958615291413	Different Group
[O14965, P25098]	CC(=O)Nc1cc(ccc1Cl)NC(C)(C)C(=O)Nc2nc3ccc4c(c3s2)cn[nH]4	P25098	O14965	8.55284196865778	7.4089353929735005	1.1439065756842801	Different Group
[O14965, P25098]	CC(=O)Nc1cc(ccc1Cl)NCC(=O)Nc2nc3ccc4c(c3s2)cn[nH]4	P25098	O14965	8.080921907623926	6.555955204081924	1.5249667035420025	Different Group
[O14965, P25098]	CC(=O)Nc1cc(ccc1F)NC(C)(C)C(=O)Nc2nc3c(cc4c(c3s2)cn[nH]4)C(F)(F)F	P25098	O14965	8.080921907623926	6.35261702988538	1.7283048777385464	Different Group
[O14965, P25098]	CC(=O)Nc1cc(ccc1F)NC2(CC2)C(=O)Nc3nc4ccc5c(c4s3)cn[nH]5	P25098	O14965	8.431798275933005	6.785156151952302	1.646642123980703	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)N)Cl	P25098	O14965	8.494850021680094	7.3979400086720375	1.0969100130080562	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NC)Cl	P25098	O14965	8.200659450546418	6.732828271596986	1.4678311789494316	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NC5CC5)Cl	P25098	O14965	8.05551732784983	6.3260580013659125	1.7294593264839184	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NCC(=O)N)Cl	P25098	O14965	8.00436480540245	7.1487416512809245	0.8556231541215249	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NCC(=O)O)Cl	P25098	O14965	8.113509274827518	7.119186407719209	0.9943228671083091	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NCCC(=O)O)Cl	P25098	O14965	8.102372908709558	6.97469413473523	1.1276787739743286	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)C(=O)NCCCC(=O)O)Cl	P25098	O14965	8.113509274827518	7.055517327849832	1.057991946977686	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4ccc(c(c4)O)Cl	P25098	O14965	8.060480747381382	6.468521082957745	1.5919596644236371	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2c(cc3c(c2s1)cn[nH]3)C(F)(F)F)Nc4cccc(c4)S(=O)(=O)N	P25098	O14965	8.031517051446064	7.853871964321762	0.1776450871243025	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2ccc3c(c2s1)cn[nH]3)Nc4ccc(cc4)Cl	P25098	O14965	8.05551732784983	6.368556230986828	1.686961096863003	Different Group
[O14965, P25098]	CC(C)(C(=O)Nc1nc2ccc3c(c2s1)cn[nH]3)Nc4cccc(c4)O	P25098	O14965	8.10790539730952	7.5376020021010435	0.5703033952084757	Different Group
[O14965, P25098]	CCC(=O)Nc1cc(ccc1Cl)NC(C)(C)C(=O)Nc2nc3ccc4c(c3s2)cn[nH]4	P25098	O14965	8.4089353929735	6.94692155651658	1.4620138364569204	Different Group
[O14965, P25098]	CCC(=O)Nc1cc(ccc1F)NC2(CC2)C(=O)Nc3nc4ccc5c(c4s3)cn[nH]5	P25098	O14965	8.337242168318426	6.512861624522814	1.8243805437956118	Different Group
[O14965, P25098]	CCNC(=O)c1cc(ccc1Cl)NC(C)(C)C(=O)Nc2nc3c(cc4c(c3s2)cn[nH]4)C(F)(F)F	P25098	O14965	8.346787486224656	6.787812395596042	1.5589750906286142	Different Group
[O14965, P25098]	CCOC(=O)c1cc(ccc1Cl)NC2(CC2)C(=O)Nc3nc4ccc5c(c4s3)cn[nH]5	P25098	O14965	8.060480747381382	6.627087997029894	1.433392750351488	Different Group
[O14965, P25098]	CNC(=O)c1cc(ccc1Cl)NC2(CC2)C(=O)Nc3nc4ccc5c(c4s3)cn[nH]5	P25098	O14965	8.1249387366083	7.236572006437063	0.8883667301712368	Different Group
[O14965, P25098]	c1cc(c(cc1NCC(=O)Nc2nc3ccc4c(c3s2)cn[nH]4)O)Cl	P25098	O14965	8.397940008672037	6.590066876668706	1.8078731320033317	Different Group
[O14965, P25098]	c1cc(ccc1NC2(CC2)C(=O)Nc3nc4ccc5c(c4s3)cn[nH]5)Cl	P25098	O14965	8.4089353929735	6.498940737782249	1.9099946551912517	Different Group
[P25098, P34947]	CC(=O)Nc1ccc2c(c1)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.51427857351842	5.492144128304169	0.022134445214251564	Same Family
[P25098, P34947]	CCCCNc1ccc2c(c1)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.2580609222708015	6.301029995663981	1.0429690733931798	Same Family
[P25098, P34947]	CCCNc1ccc2c(c1)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.496209316942819	6.154901959985743	0.6586926430429241	Same Family
[P25098, P34947]	CN(C)c1ccc2c(c1)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.082494490447453	5.7544873321858505	0.6719928417383976	Same Family
[P25098, P34947]	CN(c1ccccc1)c2ccc3c(c2)nc(o3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	4.886056647693163	5.296708621881339	0.410651974188176	Same Family
[P25098, P34947]	CNc1ccc2c(c1)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.199282921717615	6.180456064458132	0.9811731427405164	Same Family
[P25098, P34947]	COc1ccc(cc1)C(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.401209493236885	5.679853713888946	0.27864422065206096	Same Family
[P25098, P34947]	COc1ccc(cc1)N(c2ccccc2)C(=O)Nc3ccc4c(c3)oc(n4)c5cc(cnc5N)c6cnn(c6)C7CCNCC7	P25098	P34947	6.180456064458132	6.259637310505756	0.07918124604762422	Same Family
[P25098, P34947]	COc1ccc(cc1)c2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.51427857351842	5.492144128304169	0.022134445214251564	Same Family
[P25098, P34947]	COc1ccc2c(c1c3ccc4cn[nH]c4c3)oc(n2)c5cc(cnc5N)c6cnn(c6)C7CCNCC7	P25098	P34947	5.03810452633215	5.655607726314889	0.617503199982739	Same Family
[P25098, P34947]	Cc1c(ccc2c1oc(n2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5)O	P25098	P34947	4.886056647693163	5.657577319177793	0.7715206714846303	Same Family
[P25098, P34947]	Cc1cc2c(cc1O)oc(n2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.669586226650809	6.060480747381382	0.39089452073057274	Same Family
[P25098, P34947]	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.080921907623926	6.055517327849832	0.9745954202259055	Same Family
[P25098, P34947]	c1cc(c(c(c1)F)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)F	P25098	P34947	4.939302159646388	5.327902142064283	0.38859998241789473	Same Family
[P25098, P34947]	c1cc(ccc1C(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)C(F)(F)F	P25098	P34947	5.494850021680094	5.548213564475709	0.053363542795615615	Same Family
[P25098, P34947]	c1cc(ccc1C(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)F	P25098	P34947	6.017728766960432	6.1938200260161125	0.17609125905568046	Same Family
[P25098, P34947]	c1cc(ccc1COc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)F	P25098	P34947	4.924453038607469	5.882728704344236	0.9582756657367666	Same Family
[P25098, P34947]	c1cc(ccc1NC(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)F	P25098	P34947	5.764471553092451	6.055517327849832	0.29104577475738047	Same Family
[P25098, P34947]	c1cc(ccc1Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)F	P25098	P34947	5.031517051446065	5.431798275933005	0.4002812244869398	Same Family
[P25098, P34947]	c1cc2c(cc1N)nc(o2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.374687549038326	6.2839966563652006	0.9093091073268749	Same Family
[P25098, P34947]	c1cc2c(cc1N)oc(n2)c3cc(cnc3N)c4cnn(c4)C5CCNCC5	P25098	P34947	5.2076083105017466	5.7121982700697735	0.504589959568027	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCCC3)nc(o2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.782516055786093	6.920818753952375	1.1383026981662816	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCCC3)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	6.337242168318426	7.229147988357856	0.8919058200394305	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCCCC3)nc(o2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	6.070581074285707	6.853871964321762	0.7832908900360547	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCCCC3)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	4.995678626217358	5.366531544420414	0.370852918203056	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCOCC3)nc(o2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.191789027075778	5.978810700930062	0.7870216738542837	Same Family
[P25098, P34947]	c1cc2c(cc1N3CCOCC3)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.275724130399211	6.0915149811213505	0.8157908507221396	Same Family
[P25098, P34947]	c1cc2c(cc1Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.2441251443275085	5.376750709602099	0.13262556527459068	Same Family
[P25098, P34947]	c1cc2c(cc1Nc3cc(cc(c3)F)F)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.645891560852599	5.903089986991944	0.25719842613934496	Same Family
[P25098, P34947]	c1cc2c(cc1Oc3cc(ccn3)C#N)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.0915149811213505	5.443697499232713	0.3521825181113627	Same Family
[P25098, P34947]	c1cc2c(cc1Oc3cc(ccn3)Cl)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	4.769551078621726	5.2441251443275085	0.47457406570578264	Same Family
[P25098, P34947]	c1cc2c(cc1c3c[nH]nc3)oc(n2)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.0	5.749579997691106	0.7495799976911064	Same Family
[P25098, P34947]	c1cc2c(cc1c3ccc4c(c3)oc(n4)c5cc(cnc5N)c6cnn(c6)C7CCNCC7)cn[nH]2	P25098	P34947	5.392544976785332	5.943095148663527	0.5505501718781955	Same Family
[P25098, P34947]	c1cc2cn[nH]c2cc1c3c(ccc4c3oc(n4)c5cc(cnc5N)c6cnn(c6)C7CCNCC7)O	P25098	P34947	5.187086643357144	6.275724130399211	1.0886374870420665	Same Family
[P25098, P34947]	c1ccc(cc1)C(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.496209316942819	5.45717457304082	0.03903474390199868	Same Family
[P25098, P34947]	c1ccc(cc1)NC(=O)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.580044251510242	5.779891911959945	0.19984766044970304	Same Family
[P25098, P34947]	c1ccc(cc1)Nc2ccc3c(c2)nc(o3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.309803919971486	5.455931955649724	0.14612803567823818	Same Family
[P25098, P34947]	c1ccc(cc1)c2c(ccc3c2oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6)O	P25098	P34947	5.013228265733755	6.6777807052660805	1.6645524395323257	Same Family
[P25098, P34947]	c1ccc(cc1)c2ccc(nn2)Oc3ccc4c(c3)oc(n4)c5cc(cnc5N)c6cnn(c6)C7CCNCC7	P25098	P34947	5.42021640338319	5.920818753952375	0.500602350569185	Same Family
[P25098, P34947]	c1ccnc(c1)Nc2ccc3c(c2)oc(n3)c4cc(cnc4N)c5cnn(c5)C6CCNCC6	P25098	P34947	5.218244625347531	5.376750709602099	0.1585060842545678	Same Family
[O14965, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q02763	O14965	4.958607314841775	4.522878745280337	0.43572856956143724	Different Group
[O14965, Q02763]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	Q02763	O14965	7.479303657420887	7.376750709602099	0.1025529478187881	Different Group
[O14965, Q02763]	CC(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q02763	O14965	4.958607314841775	4.481486060122113	0.4771212547196617	Different Group
[O14965, Q02763]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	Q02763	O14965	6.671212799645465	8.160579629225387	1.4893668295799216	Different Group
[O14965, Q02763]	CC1CN(CC(O1)C)Cc2ccc(cc2)C=Cc3c4ccc(cc4[nH]n3)C5CC56c7cc(ccc7NC6=O)OC	Q02763	O14965	7.657577319177793	6.853871964321762	0.8037053548560316	Different Group
[O14965, Q02763]	CCOCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q02763	O14965	4.619788758288394	4.5376020021010435	0.08218675618735016	Different Group
[O14965, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	Q02763	O14965	7.365243527891042	4.6020599913279625	2.76318353656308	Different Group
[O14965, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	Q02763	O14965	4.468521082957745	5.494850021680094	1.026328938722349	Different Group
[O14965, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q02763	O14965	5.841805124463402	5.135985522789741	0.7058196016736611	Different Group
[O14965, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3c[nH]c4c3cccc4	Q02763	O14965	5.2839966563652006	4.795880017344075	0.48811663902112556	Different Group
[O14965, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	Q02763	O14965	4.6020599913279625	4.327902142064283	0.2741578492636796	Different Group
[O14965, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COc5ccccc5	Q02763	O14965	5.769551078621726	5.187086643357144	0.5824644352645816	Different Group
[O14965, Q02763]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	Q02763	O14965	6.769551078621726	6.119186407719209	0.6503646709025173	Different Group
[O14965, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q02763	O14965	6.585026652029182	5.605548319173784	0.9794783328553978	Different Group
[O14965, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q02763	O14965	6.096910013008056	7.0	0.9030899869919438	Different Group
[O14965, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q02763	O14965	6.221848749616356	5.585026652029182	0.6368220975871743	Different Group
[O14965, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q02763	O14965	5.7447274948966935	5.4089353929735005	0.3357921019231931	Different Group
[P54760, Q02763]	CC(C)(C)OCn1cc(c2c1cccc2)C3=C(C(=O)NC3)c4cc(c(c(c4)OC)OC)OC	Q02763	P54760	4.958607314841775	4.698970004336019	0.2596373105057559	Different Family
[P54760, Q02763]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	Q02763	P54760	7.365243527891042	5.080921907623926	2.284321620267116	Different Family
[P54760, Q02763]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	Q02763	P54760	5.841805124463402	5.044154920623069	0.797650203840333	Different Family
[P54760, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCC[Si](C)(C)C	Q02763	P54760	4.585026652029182	4.356547323513813	0.22847932851536878	Different Family
[P54760, Q02763]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)COCc5ccccc5	Q02763	P54760	4.958607314841775	4.431798275933005	0.5268090389087696	Different Family
[P54760, Q02763]	Cc1cccc(c1c2cc(c3c(c2)nnc(n3)Nc4ccc(cc4)OCCN5CCCC5)C)C	Q02763	P54760	6.168770306132936	7.1938200260161125	1.0250497198831763	Different Family
[P54760, Q02763]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	Q02763	P54760	6.585026652029182	5.73754891026957	0.8474777417596115	Different Family
[P54760, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	Q02763	P54760	6.096910013008056	5.468521082957745	0.6283889300503116	Different Family
[P54760, Q02763]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	Q02763	P54760	6.221848749616356	5.468521082957745	0.7533276666586115	Different Family
[P54760, Q02763]	c1cc(cc(c1)Cl)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	Q02763	P54760	5.659952682338607	6.410050398674292	0.7500977163356852	Different Family
[P54760, Q02763]	c1cc(cc(c1)S(=O)(=O)N)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	Q02763	P54760	7.769551078621726	9.397940008672037	1.6283889300503116	Different Family
[P54760, Q02763]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	Q02763	P54760	5.7447274948966935	5.113509274827518	0.6312182200691758	Different Family
[P54760, Q02763]	c1ccc(cc1)c2cnc(c3c2occ3c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F)N	Q02763	P54760	7.337242168318426	7.853871964321762	0.5166297960033361	Different Family
[P49759, Q9HAZ1]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q9HAZ1	P49759	6.657577319177793	6.769551078621726	0.11197375944393251	Same Family
[P49759, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q9HAZ1	P49759	6.8569964389602625	7.119186407719209	0.2621899687589462	Same Family
[P49759, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q9HAZ1	P49759	6.516905659521932	6.557520230935552	0.040614571413620126	Same Family
[P49759, Q9HAZ1]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q9HAZ1	P49759	5.423894979009308	5.262886905694039	0.16100807331526923	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q9HAZ1	P49759	6.257793131141662	6.20342566678957	0.05436746435209194	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	P49759	6.5777924797630885	5.748848656824645	0.8289438229384434	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	Q9HAZ1	P49759	7.403437700822769	7.795880017344075	0.392442316521306	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	Q9HAZ1	P49759	7.420818753952375	7.619788758288394	0.19897000433601875	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q9HAZ1	P49759	7.6259059864969	8.096910013008056	0.4710040265111566	Same Family
[P49759, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	P49759	7.522878745280337	7.3872161432802645	0.13566260200007285	Same Family
[P49759, Q9HAZ1]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q9HAZ1	P49759	7.265826334793921	7.468521082957745	0.2026947481638235	Same Family
[P49759, Q9HAZ1]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q9HAZ1	P49759	5.133670941783116	5.6252516539898965	0.49158071220678057	Same Family
[P49759, Q9HAZ1]	c1cc(cnc1)CNc2c(cncn2)c3ccc4c(c3)OCO4	Q9HAZ1	P49759	5.078857521161718	5.318306607995436	0.23944908683371757	Same Family
[P49759, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	P49759	6.5324984242731725	6.015922966097169	0.5165754581760034	Same Family
[P49759, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q9HAZ1	P49759	6.212833862884182	5.796423225022028	0.41641063786215415	Same Family
[P49759, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q9HAZ1	P49759	7.747425010840047	7.958607314841775	0.21118230400172777	Same Family
[P49759, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	P49759	7.372363747448347	7.136677139879544	0.23568660756880266	Same Family
[P49759, Q9HAZ1]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)scn2	Q9HAZ1	P49759	7.497572880015567	7.0	0.497572880015567	Same Family
[P49759, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q9HAZ1	P49759	7.721848749616356	7.886056647693163	0.1642078980768069	Same Family
[P49759, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q9HAZ1	P49759	6.975779098224798	6.991399828238082	0.01562073001328379	Same Family
[P49759, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q9HAZ1	P49759	7.022878745280337	6.7447274948966935	0.27815125038364386	Same Family
[P49759, Q9HAZ1]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q9HAZ1	P49759	7.026773867493463	7.167491087293763	0.14071721980030016	Same Family
[P49759, Q9HAZ1]	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=S)S3	Q9HAZ1	P49759	7.749579997691106	6.698970004336019	1.0506099933550876	Same Family
[P49760, Q9HAZ1]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q9HAZ1	P49760	6.657577319177793	6.167491087293763	0.49008623188403	Same Family
[P49760, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q9HAZ1	P49760	6.8569964389602625	6.388276691992658	0.4687197469676043	Same Family
[P49760, Q9HAZ1]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q9HAZ1	P49760	6.516905659521932	5.961777361631282	0.5551282978906498	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	Q9HAZ1	P49760	6.257793131141662	5.80771138743188	0.4500817437097826	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	P49760	6.5777924797630885	6.623423042943488	0.045630563180399264	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	Q9HAZ1	P49760	7.403437700822769	7.4089353929735005	0.005497692150731481	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	Q9HAZ1	P49760	7.420818753952375	7.522878745280337	0.10205999132796251	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q9HAZ1	P49760	7.6259059864969	7.698970004336019	0.07306401783911909	Same Family
[P49760, Q9HAZ1]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	P49760	7.522878745280337	6.721246399047171	0.8016323462331663	Same Family
[P49760, Q9HAZ1]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q9HAZ1	P49760	7.265826334793921	7.2839966563652006	0.018170321571279402	Same Family
[P49760, Q9HAZ1]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q9HAZ1	P49760	5.133670941783116	5.055961719945582	0.0777092218375337	Same Family
[P49760, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	P49760	6.5324984242731725	6.1771783546968955	0.35532006957627704	Same Family
[P49760, Q9HAZ1]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q9HAZ1	P49760	6.212833862884182	5.72056121171298	0.4922726511712021	Same Family
[P49760, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q9HAZ1	P49760	7.747425010840047	7.221848749616356	0.5255762612236907	Same Family
[P49760, Q9HAZ1]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	P49760	7.372363747448347	6.335358024443875	1.037005723004472	Same Family
[P49760, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q9HAZ1	P49760	7.721848749616356	7.3872161432802645	0.3346326063360916	Same Family
[P49760, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q9HAZ1	P49760	6.975779098224798	6.462180904926726	0.5135981932980727	Same Family
[P49760, Q9HAZ1]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q9HAZ1	P49760	7.022878745280337	6.586700235918748	0.4361785093615893	Same Family
[P49760, Q9HAZ1]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q9HAZ1	P49760	7.026773867493463	6.636388020107856	0.3903858473856072	Same Family
[Q9HAZ1, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q9HAZ1	Q9Y463	6.657577319177793	6.455931955649724	0.20164536352806905	Different Family
[Q9HAZ1, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	Q9HAZ1	Q9Y463	6.8569964389602625	6.386158178123931	0.47083826083633173	Different Family
[Q9HAZ1, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q9HAZ1	Q9Y463	6.516905659521932	6.059981844992337	0.45692381452959463	Different Family
[Q9HAZ1, Q9Y463]	COc1cccc(c1)c2ccnc(n2)NCc3ccc(cc3)Cl	Q9HAZ1	Q9Y463	5.20109253529516	5.1686422145579325	0.032450320737227756	Different Family
[Q9HAZ1, Q9Y463]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	Q9Y463	6.5777924797630885	6.289036881004725	0.2887555987583639	Different Family
[Q9HAZ1, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	Q9HAZ1	Q9Y463	7.403437700822769	7.259637310505756	0.14380039031701308	Different Family
[Q9HAZ1, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	Q9HAZ1	Q9Y463	7.420818753952375	6.950781977329818	0.47003677662255683	Different Family
[Q9HAZ1, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	Q9HAZ1	Q9Y463	7.6259059864969	7.42021640338319	0.20568958311370977	Different Family
[Q9HAZ1, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	Q9HAZ1	Q9Y463	7.522878745280337	6.903089986991944	0.6197887582883936	Different Family
[Q9HAZ1, Q9Y463]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	Q9HAZ1	Q9Y463	7.265826334793921	7.7447274948966935	0.4789011601027724	Different Family
[Q9HAZ1, Q9Y463]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	Q9HAZ1	Q9Y463	5.133670941783116	5.052468254304407	0.08120268747870885	Different Family
[Q9HAZ1, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	Q9Y463	6.5324984242731725	6.747146969020107	0.21464854474693418	Different Family
[Q9HAZ1, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	Q9HAZ1	Q9Y463	6.212833862884182	6.081445469449727	0.13138839343445508	Different Family
[Q9HAZ1, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	Q9HAZ1	Q9Y463	7.747425010840047	7.920818753952375	0.17339374311232802	Different Family
[Q9HAZ1, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	Q9HAZ1	Q9Y463	7.372363747448347	7.031517051446065	0.34084669600228157	Different Family
[Q9HAZ1, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)scn2	Q9HAZ1	Q9Y463	7.497572880015567	7.154901959985743	0.3426709200298239	Different Family
[Q9HAZ1, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	Q9HAZ1	Q9Y463	7.721848749616356	7.7447274948966935	0.022878745280337398	Different Family
[Q9HAZ1, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	Q9HAZ1	Q9Y463	6.975779098224798	6.863279432843593	0.11249966538120493	Different Family
[Q9HAZ1, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	Q9HAZ1	Q9Y463	7.022878745280337	7.376750709602099	0.3538719643217618	Different Family
[Q9HAZ1, Q9Y463]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	Q9HAZ1	Q9Y463	7.026773867493463	5.93704216591549	1.089731701577973	Different Family
[Q9HAZ1, Q9Y463]	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=S)S3	Q9HAZ1	Q9Y463	7.749579997691106	7.221848749616356	0.5277312480747502	Different Family
[Q9BUB5, Q9HBH9]	CC(=O)Nc1ccc(cn1)c2ccc(cc2)NCC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	Q9HBH9	Q9BUB5	7.494850021680094	5.406713932979542	2.0881360887005513	Same Family
[Q9BUB5, Q9HBH9]	CC(C)C(=O)Nc1ccc(cn1)c2ccc(cc2)NCC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	Q9HBH9	Q9BUB5	6.886056647693163	5.113509274827518	1.7725473728656453	Same Family
[Q9BUB5, Q9HBH9]	CC1CN(CCN1)c2cccc3c2n(c(n3)c4c(ncc(n4)c5cc(ccn5)C(=O)N(C)C)N)C	Q9HBH9	Q9BUB5	8.522878745280337	8.522878745280337	0.0	Same Family
[Q9BUB5, Q9HBH9]	CC1CN(CCN1)c2cccc3c2n(c(n3)c4c(ncc(n4)c5cccc(c5)C(=O)N(C)C)N)C	Q9HBH9	Q9BUB5	9.154901959985743	8.823908740944319	0.3309932190414244	Same Family
[Q9BUB5, Q9HBH9]	CCC1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)COc3ccc(cc3)c4cccnc4	Q9HBH9	Q9BUB5	7.086186147616283	5.345823458122039	1.740362689494244	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C	Q9HBH9	Q9BUB5	7.356547323513813	5.223298816011589	2.1332485075022243	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4ccc(nc4)NC(=O)C5CC5	Q9HBH9	Q9BUB5	7.795880017344075	5.598599459218456	2.1972805581256187	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3)c4cccnc4	Q9HBH9	Q9BUB5	7.958607314841775	6.455931955649724	1.5026753591920503	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)COc3ccc(cc3)c4ccc(nc4)NC(=O)C	Q9HBH9	Q9BUB5	7.481486060122113	5.245651664288981	2.235834395833132	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)COc3ccc(cc3)c4cccnc4	Q9HBH9	Q9BUB5	7.853871964321762	6.2441251443275085	1.6097468199942533	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Cc3ccc(cc3)Oc4cc(ncn4)NC	Q9HBH9	Q9BUB5	7.657577319177793	5.432973633840939	2.224603685336854	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Cc3ccc(cc3)Oc4ccnc(c4)NC	Q9HBH9	Q9BUB5	8.096910013008056	6.431798275933005	1.6651117370750512	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Cc3ccc(cc3)Oc4ccncc4	Q9HBH9	Q9BUB5	8.0	6.267606240177032	1.7323937598229682	Same Family
[Q9BUB5, Q9HBH9]	CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4cc(ncn4)NC	Q9HBH9	Q9BUB5	7.698970004336019	5.7544873321858505	1.9444826721501682	Same Family
[Q9BUB5, Q9HBH9]	CCOc1cc(ccc1Nc2c3c(c(sc3ncn2)C(=O)N)C)C(=O)N	Q9HBH9	Q9BUB5	7.552841968657781	6.920818753952375	0.6320232147054057	Same Family
[Q9BUB5, Q9HBH9]	CN(C)C(=O)c1cccc(c1)c2cc(c(nc2)N)c3[nH]c4c(n3)cccc4N5CCNCC5	Q9HBH9	Q9BUB5	8.698970004336019	8.397940008672037	0.30102999566398125	Same Family
[Q9BUB5, Q9HBH9]	CN(C)C(=O)c1cccc(c1)c2cc(c(nc2)N)c3[nH]c4ccccc4n3	Q9HBH9	Q9BUB5	7.468521082957745	7.443697499232713	0.02482358372503146	Same Family
[Q9BUB5, Q9HBH9]	CN(C)C(=O)c1cccc(c1)c2cnc(c(n2)c3[nH]c4c(n3)cccc4N5CCNCC5)N	Q9HBH9	Q9BUB5	7.698970004336019	7.096910013008056	0.6020599913279625	Same Family
[Q9BUB5, Q9HBH9]	CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)CNc3ccc(cc3F)c4ccc(nc4)NC(=O)C5CC5	Q9HBH9	Q9BUB5	8.0	6.698970004336019	1.3010299956639813	Same Family
[Q9BUB5, Q9HBH9]	CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	Q9HBH9	Q9BUB5	5.494850021680094	5.173925197299174	0.32092482438091974	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)N)Nc3ccc(cc3OC4CCN(CC4)CC(=O)N5CCOCC5)F	Q9HBH9	Q9BUB5	6.795880017344075	6.3979400086720375	0.3979400086720375	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)N)Nc3ccc(cc3OC4CCN(CC4)Cc5ncon5)F	Q9HBH9	Q9BUB5	7.036212172654444	6.337242168318426	0.6989700043360187	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)NCCCN(C)C)Nc3ccc(cc3OC(C)C)F	Q9HBH9	Q9BUB5	8.221848749616356	7.455931955649724	0.7659167939666318	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)NCCCN(C)C)Nc3ccc(cc3OC4CCOCC4)F	Q9HBH9	Q9BUB5	7.568636235841013	7.0	0.5686362358410131	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)NCCCN(C)C)Nc3ccc(nc3OC4CCOCC4)C(F)(F)F	Q9HBH9	Q9BUB5	6.251811972993799	6.167491087293763	0.08432088570003593	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)NCCN3CCOCC3)Nc4ccc(cc4OC5CCOCC5)F	Q9HBH9	Q9BUB5	7.468521082957745	6.6777807052660805	0.7907403776916642	Same Family
[Q9BUB5, Q9HBH9]	Cc1c2c(ncnc2sc1C(=O)NCCOC)Nc3ccc(cc3OC4CCOCC4)F	Q9HBH9	Q9BUB5	7.455931955649724	6.7447274948966935	0.7112044607530308	Same Family
[Q9BUB5, Q9HBH9]	Cn1c2c(cccc2N3CCNCC3)nc1c4c(ncc(n4)c5cccc(c5)C(=O)N(C)C)N	Q9HBH9	Q9BUB5	9.0	8.698970004336019	0.30102999566398125	Same Family
[Q9BUB5, Q9HBH9]	c1cc(c(cc1F)OC2CCOCC2)Nc3c4c5c(sc4ncn3)CNCC5	Q9HBH9	Q9BUB5	6.958607314841775	6.6777807052660805	0.28082660957569416	Same Family
[Q9BUB5, Q9HBH9]	c1cc(ccc1Nc2c3c(ncnc3[nH]n2)N)F	Q9HBH9	Q9BUB5	5.795880017344075	6.060480747381382	0.2646007300373068	Same Family
[Q9BUB5, Q9HBH9]	c1cc(ccc1c2ccc(nc2)NC(=O)C3CC3)NCC(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCNCC5	Q9HBH9	Q9BUB5	8.096910013008056	6.292429823902063	1.804480189105993	Same Family
[Q9BUB5, Q9HBH9]	c1cc(cnc1)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCNCC4	Q9HBH9	Q9BUB5	7.920818753952375	6.455931955649724	1.4648867983026506	Same Family
[Q9BUB5, Q9HBH9]	c1ccc(cc1)c2cc(c(nc2)N)c3[nH]c4ccccc4n3	Q9HBH9	Q9BUB5	6.142667503568732	6.920818753952375	0.778151250383643	Same Family
[Q9BUB5, Q9HBH9]	c1ccc2c(c1)[nH]c(n2)c3cccnc3N	Q9HBH9	Q9BUB5	6.045757490560675	6.154901959985743	0.10914446942506828	Same Family
[P49759, P49760]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	P49759	P49760	6.769551078621726	6.167491087293763	0.6020599913279625	Same Family
[P49759, P49760]	CC1CCNC(=O)c2n1c3cc(ccc3c2)C(=O)Nc4nc5ccccc5n4CCCN(C)C	P49759	P49760	6.29073003902417	6.950781977329818	0.6600519383056485	Same Family
[P49759, P49760]	CCn1nc(nn1)CCNC(=O)Nc2nc(c(s2)c3ccc(c(c3)F)S(=O)(=O)C)C	P49759	P49760	6.928117992693875	6.931814138253839	0.0036961455599637816	Same Family
[P49759, P49760]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	P49759	P49760	7.119186407719209	6.388276691992658	0.7309097157265505	Same Family
[P49759, P49760]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	P49759	P49760	6.557520230935552	5.961777361631282	0.5957428693042699	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl)Cl	P49759	P49760	6.20342566678957	5.80771138743188	0.39571427935769066	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49759	P49760	5.748848656824645	6.623423042943488	0.8745743861188426	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	P49759	P49760	7.795880017344075	7.4089353929735005	0.38694462437057453	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	P49759	P49760	7.619788758288394	7.522878745280337	0.09691001300805624	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	P49759	P49760	8.096910013008056	7.698970004336019	0.3979400086720375	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49759	P49760	7.3872161432802645	6.721246399047171	0.6659697442330934	Same Family
[P49759, P49760]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	P49759	P49760	6.73754891026957	6.367542707815276	0.3700062024542943	Same Family
[P49759, P49760]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	P49759	P49760	7.468521082957745	7.2839966563652006	0.1845244265925441	Same Family
[P49759, P49760]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	P49759	P49760	5.6252516539898965	5.055961719945582	0.5692899340443143	Same Family
[P49759, P49760]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	P49759	P49760	6.015922966097169	6.1771783546968955	0.16125538859972632	Same Family
[P49759, P49760]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	P49759	P49760	5.796423225022028	5.72056121171298	0.07586201330904796	Same Family
[P49759, P49760]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	P49759	P49760	7.958607314841775	7.221848749616356	0.7367585652254185	Same Family
[P49759, P49760]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	P49759	P49760	7.136677139879544	6.335358024443875	0.8013191154356694	Same Family
[P49759, P49760]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	P49759	P49760	7.886056647693163	7.3872161432802645	0.4988405044128985	Same Family
[P49759, P49760]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Cl)Cl)OCO2	P49759	P49760	8.698970004336019	7.638272163982407	1.0606978403536118	Same Family
[P49759, P49760]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	P49759	P49760	6.991399828238082	6.462180904926726	0.5292189233113564	Same Family
[P49759, P49760]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	P49759	P49760	6.7447274948966935	6.586700235918748	0.15802725897794545	Same Family
[P49759, P49760]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	P49759	P49760	7.167491087293763	6.636388020107856	0.5311030671859074	Same Family
[P49759, Q9Y463]	CC(=O)c1cc2cc(ccc2s1)O	P49759	Q9Y463	7.221848749616356	7.0	0.22184874961635614	Different Family
[P49759, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	P49759	Q9Y463	6.769551078621726	6.455931955649724	0.31361912297200156	Different Family
[P49759, Q9Y463]	CC1CC(=Cc2ccc(cc2)OC)C(=O)O1	P49759	Q9Y463	5.359518563029578	4.978810700930062	0.38070786209951635	Different Family
[P49759, Q9Y463]	CC1CC(=Cc2ccc3c(c2)scn3)C(=O)O1	P49759	Q9Y463	6.769551078621726	5.774690718274137	0.9948603603475892	Different Family
[P49759, Q9Y463]	CN(C(=O)c1cc2cc(ccc2s1)OC)OC	P49759	Q9Y463	7.0	5.795880017344075	1.204119982655925	Different Family
[P49759, Q9Y463]	COc1ccc(cc1)C=C2C(=O)NC(=S)S2	P49759	Q9Y463	5.2441251443275085	5.823908740944319	0.5797835966168101	Different Family
[P49759, Q9Y463]	COc1ccc(cc1)C=C2C(=O)SC(=O)N2	P49759	Q9Y463	5.443697499232713	5.2839966563652006	0.15970084286751263	Different Family
[P49759, Q9Y463]	COc1ccc(cc1)C=C2CCCOC2=O	P49759	Q9Y463	5.123782159408358	5.236572006437063	0.1127898470287052	Different Family
[P49759, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	P49759	Q9Y463	7.119186407719209	6.386158178123931	0.7330282295952779	Different Family
[P49759, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	P49759	Q9Y463	6.557520230935552	6.059981844992337	0.49753838594321476	Different Family
[P49759, Q9Y463]	Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC	P49759	Q9Y463	7.121301985603488	7.025820458504806	0.09548152709868152	Different Family
[P49759, Q9Y463]	Cc1ccc(cc1O)C(=O)c2cc3cc(ccc3s2)O	P49759	Q9Y463	7.301029995663981	6.698970004336019	0.6020599913279625	Different Family
[P49759, Q9Y463]	Cn1c2ccc(cc2cc1C(=O)c3cccc(c3)O)O	P49759	Q9Y463	5.6777807052660805	5.568636235841013	0.10914446942506739	Different Family
[P49759, Q9Y463]	c1cc(c(cc1C(=O)c2cc3cc(ccc3s2)O)O)F	P49759	Q9Y463	6.522878745280337	6.3979400086720375	0.1249387366082999	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49759	Q9Y463	5.748848656824645	6.289036881004725	0.5401882241800795	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	P49759	Q9Y463	7.795880017344075	7.259637310505756	0.5362427068383191	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	P49759	Q9Y463	7.619788758288394	6.950781977329818	0.6690067809585756	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	P49759	Q9Y463	8.096910013008056	7.42021640338319	0.6766936096248664	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49759	Q9Y463	7.3872161432802645	6.903089986991944	0.4841261562883208	Different Family
[P49759, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	P49759	Q9Y463	6.73754891026957	6.2225731776106885	0.5149757326588817	Different Family
[P49759, Q9Y463]	c1cc(c(cc1O)C(=O)c2cc3cc(ccc3s2)O)F	P49759	Q9Y463	7.301029995663981	6.3979400086720375	0.9030899869919438	Different Family
[P49759, Q9Y463]	c1cc(cc(c1)C(=O)c2cc3cc(ccc3s2)O)C#N	P49759	Q9Y463	6.3979400086720375	5.638272163982407	0.7596678446896306	Different Family
[P49759, Q9Y463]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	P49759	Q9Y463	7.468521082957745	7.7447274948966935	0.2762064119389489	Different Family
[P49759, Q9Y463]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3o2)O	P49759	Q9Y463	5.721246399047171	5.214670164989233	0.5065762340579383	Different Family
[P49759, Q9Y463]	c1cc(cc(c1)O)C(=O)c2cc3cc(ccc3s2)O	P49759	Q9Y463	7.0	6.698970004336019	0.30102999566398125	Different Family
[P49759, Q9Y463]	c1cc(cc(c1)O)C(=O)c2ccc3cc(ccc3c2)O	P49759	Q9Y463	5.721246399047171	5.638272163982407	0.0829742350647642	Different Family
[P49759, Q9Y463]	c1cc(ccc1C(=O)c2cc3cc(ccc3o2)O)O	P49759	Q9Y463	6.0	5.886056647693163	0.11394335230683694	Different Family
[P49759, Q9Y463]	c1cc(ccc1C(=O)c2cc3cc(ccc3s2)O)O	P49759	Q9Y463	6.522878745280337	6.096910013008056	0.42596873227228116	Different Family
[P49759, Q9Y463]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	P49759	Q9Y463	5.6252516539898965	5.052468254304407	0.5727833996854894	Different Family
[P49759, Q9Y463]	c1cc(ccc1Nc2nccc(n2)c3ccc4c(c3)OCO4)Cl	P49759	Q9Y463	5.898940645091884	6.053547734986927	0.1546070898950429	Different Family
[P49759, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	P49759	Q9Y463	6.015922966097169	6.747146969020107	0.7312240029229375	Different Family
[P49759, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	P49759	Q9Y463	5.796423225022028	6.081445469449727	0.2850222444276991	Different Family
[P49759, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	P49759	Q9Y463	7.958607314841775	7.920818753952375	0.03778856088939975	Different Family
[P49759, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	P49759	Q9Y463	7.136677139879544	7.031517051446065	0.1051600884334789	Different Family
[P49759, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2	P49759	Q9Y463	7.154901959985743	7.096910013008056	0.05799194697768684	Different Family
[P49759, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)N3)scn2	P49759	Q9Y463	7.698970004336019	6.045757490560675	1.653212513775344	Different Family
[P49759, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)CCO2	P49759	Q9Y463	6.301029995663981	6.522878745280337	0.22184874961635614	Different Family
[P49759, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)scn2	P49759	Q9Y463	7.0	7.154901959985743	0.15490195998574308	Different Family
[P49759, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)CCCO2	P49759	Q9Y463	5.4089353929735005	5.173925197299174	0.23501019567432646	Different Family
[P49759, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	P49759	Q9Y463	7.886056647693163	7.7447274948966935	0.14132915279646951	Different Family
[P49759, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Cl)Cl)OCO2	P49759	Q9Y463	8.698970004336019	8.154901959985743	0.5440680443502757	Different Family
[P49759, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	P49759	Q9Y463	6.991399828238082	6.863279432843593	0.12812039539448872	Different Family
[P49759, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	P49759	Q9Y463	6.7447274948966935	7.376750709602099	0.6320232147054057	Different Family
[P49759, Q9Y463]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	P49759	Q9Y463	7.167491087293763	5.93704216591549	1.2304489213782732	Different Family
[P49759, Q9Y463]	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=S)S3	P49759	Q9Y463	6.698970004336019	7.221848749616356	0.5228787452803374	Different Family
[P49759, Q9Y463]	c1ccc(cc1)C(=O)c2cc3cc(ccc3s2)O	P49759	Q9Y463	6.698970004336019	6.0	0.6989700043360187	Different Family
[P49760, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	P49760	Q9Y463	6.167491087293763	6.455931955649724	0.28844086835596094	Different Family
[P49760, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(c(c3)Cl)Cl	P49760	Q9Y463	6.388276691992658	6.386158178123931	0.002118513868727412	Different Family
[P49760, Q9Y463]	COc1ccc(cc1)c2ccnc(n2)NCc3ccc(cc3)Cl	P49760	Q9Y463	5.961777361631282	6.059981844992337	0.09820448336105514	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49760	Q9Y463	6.623423042943488	6.289036881004725	0.33438616193876314	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCCO4)Cl)Cl	P49760	Q9Y463	7.4089353929735005	7.259637310505756	0.14929808246774456	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Br)Br	P49760	Q9Y463	7.522878745280337	6.950781977329818	0.5720967679505193	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)OCO4)Cl)Cl	P49760	Q9Y463	7.698970004336019	7.42021640338319	0.27875360095282886	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4c(c3)cn[nH]4)Cl)Cl	P49760	Q9Y463	6.721246399047171	6.903089986991944	0.18184358794477262	Different Family
[P49760, Q9Y463]	c1cc(c(cc1CNc2nccc(n2)c3ccc4cn[nH]c4c3)Cl)Cl	P49760	Q9Y463	6.367542707815276	6.2225731776106885	0.14496953020458747	Different Family
[P49760, Q9Y463]	c1cc(cc(c1)Nc2nccc(n2)c3ccc4c(c3)OCO4)C(F)(F)F	P49760	Q9Y463	7.2839966563652006	7.7447274948966935	0.460730838531493	Different Family
[P49760, Q9Y463]	c1cc(ccc1CNc2c(cncn2)c3ccc4c(c3)OCO4)Cl	P49760	Q9Y463	5.055961719945582	5.052468254304407	0.003493465641175142	Different Family
[P49760, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4c(c3)cn[nH]4	P49760	Q9Y463	6.1771783546968955	6.747146969020107	0.5699686143232112	Different Family
[P49760, Q9Y463]	c1cc(cnc1)CNc2ccnc(n2)c3ccc4cn[nH]c4c3	P49760	Q9Y463	5.72056121171298	6.081445469449727	0.36088425773674704	Different Family
[P49760, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)OCO4	P49760	Q9Y463	7.221848749616356	7.920818753952375	0.6989700043360187	Different Family
[P49760, Q9Y463]	c1cc(cnc1)CNc2nccc(n2)c3ccc4c(c3)cn[nH]4	P49760	Q9Y463	6.335358024443875	7.031517051446065	0.6961590270021905	Different Family
[P49760, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Br)Br)OCO2	P49760	Q9Y463	7.3872161432802645	7.7447274948966935	0.357511351616429	Different Family
[P49760, Q9Y463]	c1cc2c(cc1c3ccnc(n3)NCc4cc(cc(c4)Cl)Cl)OCO2	P49760	Q9Y463	7.638272163982407	8.154901959985743	0.5166297960033361	Different Family
[P49760, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4cc(cc(c4)Br)C(F)(F)F)OCO2	P49760	Q9Y463	6.462180904926726	6.863279432843593	0.40109852791686773	Different Family
[P49760, Q9Y463]	c1cc2c(cc1c3ccnc(n3)Nc4ccc5c(c4)OCO5)OCO2	P49760	Q9Y463	6.586700235918748	7.376750709602099	0.7900504736833511	Different Family
[P49760, Q9Y463]	c1cc2c(cc1c3cncnc3NCc4cc(cc(c4)Cl)Cl)OCO2	P49760	Q9Y463	6.636388020107856	5.93704216591549	0.6993458541923658	Different Family
[P30530, Q9UM73]	CC(c1c(ccc(c1Cl)F)Cl)Sc2cc(cnc2N)c3cnn(c3)C4CCNCC4	Q9UM73	P30530	6.457299030551889	6.350178536775434	0.1071204937764545	Different Group
[P30530, Q9UM73]	CC1CCC2(C(C1(C)Cc3cc(cc(c3O)O)C(=O)OC)CCC=C2C)C	Q9UM73	P30530	5.6595558851598815	4.882728704344236	0.776827180815646	Different Group
[P30530, Q9UM73]	Cc1c(c(c(c(c1O)O)O)C=O)COC	Q9UM73	P30530	5.0301183562535	4.958607314841775	0.0715110414117257	Different Group
[P30530, Q9UM73]	Cc1c(c2c(c(c1O)O)OC3c4c(c(c(c(c4C(=O)C2O3)O)O)O)C)C=O	Q9UM73	P30530	6.7447274948966935	6.795880017344075	0.05115252244738144	Different Group
[P30530, Q9UM73]	Cc1c(c2cc(oc2c(c1O)O)c3c(c(c(c(c3C=O)O)O)O)C)C=O	Q9UM73	P30530	6.6020599913279625	6.657577319177793	0.05551732784983088	Different Group
[P30530, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2	Q9UM73	P30530	5.29929628285498	5.609064892896621	0.30976861004164036	Different Group
[P30530, Q9UM73]	Cc1c2c(c(c(c1O)O)O)C(=O)OC2OC	Q9UM73	P30530	5.010550182333308	5.1944991418416	0.18394895950829238	Different Group
[P30530, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)C=CCC(C)C)O	Q9UM73	P30530	5.380906669373258	4.8326826652518236	0.5482240041214341	Different Group
[P30530, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCC(=C)C(C)C)O	Q9UM73	P30530	5.360513510731414	4.694648630553377	0.6658648801780371	Different Group
[P30530, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2=O)C)C(C)CCCC(C)C)O	Q9UM73	P30530	5.325138859262188	4.486782399932061	0.8383564593301278	Different Group
[P30530, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)C=CCC(C)C)O	Q9UM73	P30530	5.0301183562535	4.6595558851598815	0.37056247109361884	Different Group
[P30530, Q9UM73]	Cc1ccc(cc1CCC2C3CCC(C3(CCC2O)C)C(C)CCCC(C)C)O	Q9UM73	P30530	5.1220530483708115	4.772113295386326	0.34993975298448543	Different Group
[P30530, Q9UM73]	Cc1nc2cc(c(c(c2o1)CC3(C(CCC4(C3CCC=C4C)C)C)C)O)OC	Q9UM73	P30530	5.471083299722345	4.8326826652518236	0.6384006344705213	Different Group
[P30530, Q9UM73]	c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O	Q9UM73	P30530	5.478861916295964	6.017728766960432	0.5388668506644683	Different Group
[P36897, P37173]	CN1CCN(CC1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6c5cccc6	P37173	P36897	7.823908740944319	7.1249387366083	0.6989700043360187	Same Family
[P36897, P37173]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P37173	P36897	6.627087997029894	4.47755576649368	2.149532230536214	Same Family
[P36897, P37173]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc5c(c4)n(cn5)C	P37173	P36897	6.175223537524454	7.657577319177793	1.4823537816533392	Same Family
[P36897, P37173]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc5c(c4)n(cn5)CCCN6CCOCC6	P37173	P36897	4.704432900037521	7.161150909262744	2.4567180092252237	Same Family
[P36897, P37173]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc5c(c4)n(cn5)CCCO	P37173	P36897	6.161150909262744	7.3872161432802645	1.2260652340175202	Same Family
[P36897, P37173]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc5c(c4)nc[nH]5	P37173	P36897	5.886056647693163	7.327902142064283	1.4418454943711199	Same Family
[P36897, P37173]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc5c(c4)ncn5CCCOC6CCCCO6	P37173	P36897	4.837435593476981	5.73754891026957	0.9001133167925897	Same Family
[P36897, P37173]	Cn1cnc2c1cc(cc2)c3c4n(nc3c5ccccn5)CCC4	P37173	P36897	6.403402904373539	7.1249387366083	0.7215358322347605	Same Family
[P36897, P37173]	Cn1cnc2c1ccc(c2)c3c4n(nc3c5ccccn5)CCC4	P37173	P36897	4.707079700399993	5.324221658325915	0.6171419579259219	Same Family
[P36897, P37173]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P37173	P36897	6.485452247339714	5.402304814074488	1.0831474332652258	Same Family
[P36897, P37173]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P37173	P36897	7.42021640338319	5.478861916295964	1.9413544870872261	Same Family
[P36897, P37173]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P37173	P36897	8.863279432843592	4.962573502059376	3.9007059307842162	Same Family
[P36897, P37173]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	P37173	P36897	6.987584625237567	4.911815221982964	2.0757694032546024	Same Family
[P36897, P37173]	c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4	P37173	P36897	6.3979400086720375	7.26078890612996	0.8628488974579227	Same Family
[P36897, P37173]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P37173	P36897	6.852632892206214	6.274490773922271	0.5781421182839424	Same Family
[P36897, P37173]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCOCC6	P37173	P36897	7.585026652029182	6.749579997691106	0.8354466543380754	Same Family
[P36897, P37173]	c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5	P37173	P36897	7.180456064458132	6.289969191087582	0.8904868733705493	Same Family
[P36897, P37173]	c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc5c(c4)n(cn5)CCCN6CCCC6	P37173	P36897	4.964970717797632	6.609064892896621	1.6440941750989886	Same Family
[P36897, P37173]	c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc5c(c4)n(cn5)CCCO	P37173	P36897	6.453457336521869	7.102372908709558	0.6489155721876889	Same Family
[P36897, P37173]	c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc5c(c4)nc[nH]5	P37173	P36897	5.0589857562944305	5.769551078621726	0.7105653223272954	Same Family
[P23443, P31749]	CCC(=O)c1cc(c(c(c1)N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)C)NCCN5CCCC5	P31749	P23443	6.010550182333308	7.673393743112328	1.6628435607790202	Different Family
[P23443, P31749]	CCOc1cc(c(c(c1)N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)C)NCCN5CCCC5	P31749	P23443	5.042536384270068	6.705533773838407	1.6629973895683383	Different Family
[P23443, P31749]	CCc1c2c([nH]n1)ncnc2N3CCN(CC3)c4cc(cc(c4C)NCCN(C)C)Cl	P31749	P23443	5.044504670815873	7.0112525154634815	1.9667478446476085	Different Family
[P23443, P31749]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	P31749	P23443	6.698970004336019	6.568636235841013	0.13033376849500566	Different Family
[P23443, P31749]	CN1CC(=Cc2ccccn2)C(=O)C(=Cc3ccccn3)C1	P31749	P23443	5.585026652029182	5.221848749616356	0.36317790241282566	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)C(=O)CCC(F)(F)F)NCCN5CCCC5	P31749	P23443	6.7121982700697735	7.391258027893047	0.6790597578232731	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)C(=O)OC)NCCN5CCCC5	P31749	P23443	5.734474664780926	7.320271989939506	1.5857973251585804	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)CCC(C)(C)C)NCCN5CCCC5	P31749	P23443	5.702896349850744	6.814022986429935	1.1111266365791908	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)COCC(F)(F)F)NCCN5CCCC5	P31749	P23443	6.136677139879544	7.475003571539929	1.3383264316603851	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)Cl)NCCN(C)C	P31749	P23443	5.368049173740783	7.108656215882517	1.7406070421417343	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)Cl)NCCN5CCCC5	P31749	P23443	5.8958544494459915	6.68876864384408	0.7929141943980884	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)OCC(C)C)NCCN5CCCC5	P31749	P23443	6.154901959985743	7.050692251291907	0.8957902913061639	Different Family
[P23443, P31749]	Cc1c(cc(cc1N2CCN(CC2)c3c4c([nH]nc4Br)ncn3)c5nc(no5)C)NCCN6CCCC6	P31749	P23443	6.1771783546968955	7.6069793948787225	1.429801040181827	Different Family
[P23443, P31749]	c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br	P31749	P23443	5.6690251747664755	7.096910013008056	1.4278848382415807	Different Family
[P23443, P31749]	c1ccc(c(c1)C=C2CNCC(=Cc3ccccc3F)C2=O)F	P31749	P23443	6.107905397309519	4.698970004336019	1.4089353929735005	Different Family
[P23443, P31749]	c1ccc(c(c1)c2c(c[nH]n2)C=C3c4ccccc4NC3=O)[N+](=O)[O-]	P31749	P23443	7.958607314841775	9.1249387366083	1.1663314217665253	Different Family
[P23443, P31749]	c1ccnc(c1)C=C2CNCC(=Cc3ccccn3)C2=O	P31749	P23443	7.698970004336019	5.853871964321762	1.845098040014257	Different Family
[P23443, P31749]	c1ccnc(c1)C=C2CSCC(=Cc3ccccn3)C2=O	P31749	P23443	5.443697499232713	4.920818753952375	0.5228787452803383	Different Family
[O14757, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P31749	O14757	4.730954290342377	4.522878745280337	0.20807554506203996	Different Group
[O14757, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P31749	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P31749	O14757	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, P31749]	COc1cc(ccc1N)c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)Nc5ccc(cc5)N6CCOCC6	P31749	O14757	6.055517327849832	8.154901959985743	2.0993846321359113	Different Group
[O14757, P31749]	COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	P31749	O14757	5.318758762624412	8.715899137966503	3.39714037534209	Different Group
[O14757, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	O14757	5.508638306165727	5.863279432843593	0.3546411266778664	Different Group
[O14757, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P31749	O14757	4.853871964321762	4.7447274948966935	0.10914446942506828	Different Group
[O14757, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P31749	O14757	5.795880017344075	5.7447274948966935	0.05115252244738144	Different Group
[O14757, P31749]	c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	P31749	O14757	4.823908740944319	6.086186147616283	1.2622774066719646	Different Group
[O14965, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P31749	O14965	4.730954290342377	4.522878745280337	0.20807554506203996	Different Group
[O14965, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P31749	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P31749]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P31749	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, P31749]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P31749	O14965	4.0	4.6020599913279625	0.6020599913279625	Different Group
[O14965, P31749]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	O14965	5.508638306165727	5.809668301829708	0.30102999566398125	Different Group
[O14965, P31749]	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F	P31749	O14965	4.301029995663981	6.119186407719209	1.8181564120552274	Different Group
[O14965, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	P31749	O14965	4.853871964321762	5.107905397309519	0.2540334329877574	Different Group
[O14965, P31749]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	P31749	O14965	5.795880017344075	5.008773924307505	0.7871060930365701	Different Group
[O14965, P31749]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	P31749	O14965	5.476253533188435	5.605548319173784	0.1292947859853486	Different Group
[O14965, P31749]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	P31749	O14965	5.721246399047171	7.0	1.2787536009528289	Different Group
[O14965, P31749]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P31749	O14965	5.154901959985743	5.508638306165727	0.35373634617998384	Different Group
[O14965, P31749]	c1ccc2c(c1)C(=O)C(=Cc3ccc(c(c3)O)O)O2	P31749	O14965	4.413412695328245	5.872895201635193	1.4594825063069479	Different Group
[P31749, Q9Y243]	C#Cc1c(cc(cn1)OCC(Cc2c[nH]c3c2cccc3)N)c4ccc5cnccc5c4	P31749	Q9Y243	9.096910013008056	7.4089353929735005	1.6879746200345558	Same Family
[P31749, Q9Y243]	CC(C)Cc1c(nc(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6nc5O)O	P31749	Q9Y243	4.673664139071248	4.660151216962363	0.013512922108885661	Same Family
[P31749, Q9Y243]	CC(c1ccc(c(c1)OC)OC)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	5.923723744595782	5.5386515663520175	0.3850721782437647	Same Family
[P31749, Q9Y243]	CC(c1ccc(cc1)F)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.045757490560675	6.7544873321858505	1.2912701583748243	Same Family
[P31749, Q9Y243]	CC(c1ccc(cc1)S(=O)(=O)C)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	6.73754891026957	6.121478204498794	0.6160707057707766	Same Family
[P31749, Q9Y243]	CC(c1ccccc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	6.826813731587726	6.235077015350112	0.5917367162376141	Same Family
[P31749, Q9Y243]	CC(c1ccccn1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	5.56019378860667	5.09339562827502	0.46679816033165	Same Family
[P31749, Q9Y243]	CC(c1cccnc1)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	5.881735273910521	5.370590400897281	0.5111448730132402	Same Family
[P31749, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CN(C)C(C)C)c4ccc(cc4)Cl)O	P31749	Q9Y243	7.300856347321299	7.552841968657781	0.2519856213364813	Same Family
[P31749, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)(C)CO)c4ccc(c(c4)F)C(F)(F)F)O	P31749	Q9Y243	7.774875445840319	8.698970004336019	0.9240945584956997	Same Family
[P31749, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)(F)F	P31749	Q9Y243	5.500160487673064	5.380906669373258	0.11925381829980619	Same Family
[P31749, Q9Y243]	CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNCC(F)(F)F)c4ccc(cc4)Cl)O	P31749	Q9Y243	6.044793462458058	6.09799710864927	0.05320364619121243	Same Family
[P31749, Q9Y243]	CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.154901959985743	7.823908740944319	0.3309932190414244	Same Family
[P31749, Q9Y243]	CCNc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5ccccc5)N	P31749	Q9Y243	6.301029995663981	6.301029995663981	0.0	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2OC3CCNCC3)nc1c4c(non4)N	P31749	Q9Y243	7.102372908709558	6.400116927926312	0.7022559807832458	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2OCC3CCNCC3)nc1c4c(non4)N	P31749	Q9Y243	7.251811972993799	6.42021640338319	0.8315955696106094	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCC(C4)N	P31749	Q9Y243	6.480172006224281	5.889410289700751	0.5907617165235299	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)N4CCNCC4	P31749	Q9Y243	6.300162274132754	5.809948582240794	0.4902136918919604	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCCNC4	P31749	Q9Y243	6.199970640755866	5.519993057042849	0.6799775837130166	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NC4CCNCC4	P31749	Q9Y243	6.250263684430939	5.640164517660112	0.6100991667708273	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)C(=O)NCCNC	P31749	Q9Y243	6.8996294548824375	5.85078088734462	1.0488485675378172	Same Family
[P31749, Q9Y243]	CCn1c2c(cncc2nc1c3c(non3)N)CNC4CCNCC4	P31749	Q9Y243	6.698970004336019	6.189767482004916	0.509202522331103	Same Family
[P31749, Q9Y243]	CN(C)CCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.610924374808178	8.154901959985743	0.456022414822435	Same Family
[P31749, Q9Y243]	CN(C)CCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[P31749, Q9Y243]	COCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.0	7.0	1.0	Same Family
[P31749, Q9Y243]	CS(=O)(=O)NCCC(c1ccc(cc1)Cl)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N	P31749	Q9Y243	8.154901959985743	7.522878745280337	0.6320232147054057	Same Family
[P31749, Q9Y243]	Cc1c(=O)[nH]c(c(n1)c2ccccc2)c3ccc(cc3)CN4CCC(CC4)n5c6ccccc6[nH]c5=O	P31749	Q9Y243	5.998699066979582	4.480172006224281	1.518527060755301	Same Family
[P31749, Q9Y243]	Cc1c(cc(c(n1)c2ccoc2)c3cnc4c(n3)c(n[nH]4)C)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	8.522878745280337	8.0	0.5228787452803374	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4)C#N)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	8.0	7.721246399047171	0.27875360095282886	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C#N)N	P31749	Q9Y243	9.0	9.0	0.0	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5C(=O)N)N	P31749	Q9Y243	9.0	9.0	0.0	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c6ccccc6[nH]c5Cl)N	P31749	Q9Y243	9.0	8.698970004336019	0.30102999566398125	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	9.0	8.698970004336019	0.30102999566398125	Same Family
[P31749, Q9Y243]	Cc1c2c([nH]n1)ncc(n2)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5ccccc5)N	P31749	Q9Y243	8.221848749616356	8.221848749616356	0.0	Same Family
[P31749, Q9Y243]	Cc1c2cc(ccc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	8.522878745280337	9.0	0.4771212547196626	Same Family
[P31749, Q9Y243]	Cc1c2cc(cnc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	9.0	8.698970004336019	0.30102999566398125	Same Family
[P31749, Q9Y243]	Cc1c2cc(ncc2[nH]n1)c3cc(c(nc3c4ccoc4C)N)OCC(Cc5c[nH]c6c5cccc6)N	P31749	Q9Y243	9.0	8.522878745280337	0.4771212547196626	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(C(=O)N)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31749	Q9Y243	7.522878745280337	6.978810700930062	0.5440680443502757	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(C2CC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.301029995663981	7.619788758288394	0.6812412373755876	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.397940008672037	7.443697499232713	0.9542425094393243	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.301029995663981	8.0	0.30102999566398125	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCCN2CCOCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.301029995663981	7.823908740944319	0.4771212547196626	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31749	Q9Y243	8.221848749616356	7.657577319177793	0.5642714304385628	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCN2CCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.397940008672037	7.7447274948966935	0.653212513775344	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CCN2CCCCC2)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N)Cl	P31749	Q9Y243	8.397940008672037	8.221848749616356	0.17609125905568135	Same Family
[P31749, Q9Y243]	c1cc(ccc1C(CO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31749	Q9Y243	8.154901959985743	7.3979400086720375	0.7569619513137056	Same Family
[P31749, Q9Y243]	c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	P31749	Q9Y243	7.886056647693163	7.2441251443275085	0.6419315033656545	Same Family
[P31749, Q9Y243]	c1ccc(cc1)C(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31749	Q9Y243	7.3872161432802645	6.568636235841013	0.8185799074392515	Same Family
[P31749, Q9Y243]	c1ccc(cc1)CC(c2ccc(cc2)Cl)NC(=O)C3(CCN(CC3)c4c5cc[nH]c5ncn4)N	P31749	Q9Y243	7.508638306165727	6.823908740944319	0.6847295652214083	Same Family
[P31749, Q9Y243]	c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)O)c4ccc(cc4)CN5CCC(CC5)n6c7ccccc7[nH]c6=O	P31749	Q9Y243	6.779891911959945	5.494850021680094	1.2850418902798513	Same Family
[P31749, Q9Y243]	c1ccc(cc1)c2c(nc3cc(ccc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31749	Q9Y243	7.698970004336019	5.792365632611038	1.9066043717249803	Same Family
[P31749, Q9Y243]	c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31749	Q9Y243	7.236572006437063	5.665723181233499	1.570848825203564	Same Family
[P31749, Q9Y243]	c1ccc(cc1)c2c(nc3cc4cn[nH]c4cc3n2)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31749	Q9Y243	7.070581074285707	5.619788758288394	1.4507923159973135	Same Family
[P31749, Q9Y243]	c1ccc(cc1)c2c(nc3ccc(cc3n2)c4n[nH]nn4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O	P31749	Q9Y243	7.200659450546419	5.910801633194851	1.2898578173515673	Same Family
[P31749, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(c(nc3)Cl)c4ccc5cnccc5c4)N	P31749	Q9Y243	8.744727494896694	7.136677139879544	1.6080503550171494	Same Family
[P31749, Q9Y243]	c1ccc2c(c1)c(c[nH]2)CC(COc3cc(cnc3)c4ccc5cnc(cc5c4)N)N	P31749	Q9Y243	8.468521082957745	7.119186407719209	1.349334675238536	Same Family
[P31749, Q06187]	C1CN=C(N(C1)C(=N)NC(=NO)c2c(non2)N)N	P31749	Q06187	5.490797477668897	4.332453660488484	1.1583438171804135	Different Group
[P31749, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	P31749	Q06187	4.730954290342377	4.590574131328557	0.14038015901382028	Different Group
[P31749, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	P31749	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	P31749	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[P31749, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	P31749	Q06187	4.0	4.6020599913279625	0.6020599913279625	Different Group
[P31749, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	P31749	Q06187	5.508638306165727	6.022276394711152	0.5136380885454255	Different Group
[P31749, Q06187]	c1(c(non1)N)C(=NO)NC(=N)NC(=N)N	P31749	Q06187	5.732828271596986	4.962175249411658	0.7706530221853285	Different Group
[P31749, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	P31749	Q06187	5.154901959985743	6.236572006437063	1.08167004645132	Different Group
[P31749, Q06187]	c1ccc(c(c1)C(=N)NC(=NO)c2c(non2)N)N	P31749	Q06187	5.064996848546345	5.497572880015567	0.43257603146922197	Different Group
[O43781, Q92630]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	Q92630	O43781	7.3979400086720375	7.3979400086720375	0.0	Same Family
[O43781, Q92630]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q92630	O43781	5.769551078621726	5.920818753952375	0.151267675330649	Same Family
[O43781, Q92630]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	Q92630	O43781	5.761439372640169	5.853871964321762	0.09243259168159312	Same Family
[O43781, Q92630]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q92630	O43781	7.638272163982407	5.853871964321762	1.7844001996606451	Same Family
[O43781, Q92630]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	Q92630	O43781	5.096910013008056	5.638272163982407	0.5413621509743507	Same Family
[O43781, Q92630]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q92630	O43781	7.102372908709558	7.522878745280337	0.4205058365707792	Same Family
[O43781, Q92630]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	Q92630	O43781	6.823908740944319	6.698970004336019	0.1249387366082999	Same Family
[O43781, Q92630]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	Q92630	O43781	6.886056647693163	6.7447274948966935	0.14132915279646951	Same Family
[O43781, Q92630]	c1cc2c(cc1Br)c(cn2C(=O)N3CCOCC3)c4ccnc(n4)N	Q92630	O43781	5.853871964321762	5.657577319177793	0.19629464514396844	Same Family
[O43781, Q92630]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	Q92630	O43781	7.08339547156902	6.324875990832918	0.7585194807361013	Same Family
[Q92630, Q9Y463]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	Q92630	Q9Y463	7.3979400086720375	7.3979400086720375	0.0	Same Family
[Q92630, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	Q92630	Q9Y463	5.769551078621726	6.455931955649724	0.6863808770279984	Same Family
[Q92630, Q9Y463]	CC1CC(=Cc2ccc3c(c2)CCO3)C(=O)O1	Q92630	Q9Y463	6.366531544420414	5.578396073130169	0.7881354712902446	Same Family
[Q92630, Q9Y463]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	Q92630	Q9Y463	5.761439372640169	5.3872161432802645	0.37422322935990415	Same Family
[Q92630, Q9Y463]	COc1ccc(cc1)C=C2C(=O)SC(=O)N2	Q92630	Q9Y463	5.036212172654444	5.2839966563652006	0.24778448371075612	Same Family
[Q92630, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	Q92630	Q9Y463	7.638272163982407	6.638272163982407	1.0	Same Family
[Q92630, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Cl)C(=O)O	Q92630	Q9Y463	7.481486060122113	6.0	1.481486060122113	Same Family
[Q92630, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	Q92630	Q9Y463	5.096910013008056	5.522878745280337	0.42596873227228116	Same Family
[Q92630, Q9Y463]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	Q92630	Q9Y463	7.102372908709558	5.721246399047171	1.381126509662387	Same Family
[Q92630, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	Q92630	Q9Y463	6.823908740944319	6.958607314841775	0.134698573897456	Same Family
[Q92630, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	Q92630	Q9Y463	6.886056647693163	7.142667503568732	0.25661085587556887	Same Family
[Q92630, Q9Y463]	c1cc(cnc1)c2cc(sc2)c3cncs3	Q92630	Q9Y463	7.3979400086720375	7.154901959985743	0.24303804868629442	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2	Q92630	Q9Y463	7.0	7.096910013008056	0.09691001300805624	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)N3)scn2	Q92630	Q9Y463	5.823908740944319	6.045757490560675	0.22184874961635614	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)CCO2	Q92630	Q9Y463	6.0	6.522878745280337	0.5228787452803374	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3C(=O)NC(=S)S3)scn2	Q92630	Q9Y463	6.698970004336019	7.154901959985743	0.45593195564972433	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)CCO2	Q92630	Q9Y463	6.086186147616283	5.663540266151471	0.4226458814648124	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)OCCO2	Q92630	Q9Y463	5.690369832574102	5.367542707815276	0.3228271247588257	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)OCO2	Q92630	Q9Y463	6.00436480540245	5.580044251510242	0.42432055389220835	Same Family
[Q92630, Q9Y463]	c1cc2c(cc1C=C3CCOC3=O)scn2	Q92630	Q9Y463	7.221848749616356	5.978810700930062	1.2430380486862944	Same Family
[Q92630, Q9Y463]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	Q92630	Q9Y463	6.886056647693163	5.853871964321762	1.0321846833714012	Same Family
[Q92630, Q9Y463]	c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	Q92630	Q9Y463	6.657577319177793	5.309803919971486	1.3477733992063072	Same Family
[Q92630, Q9Y463]	c1cc2cc(ccc2nc1)C=C3C(=O)NC(=S)S3	Q92630	Q9Y463	7.221848749616356	7.221848749616356	0.0	Same Family
[Q92630, Q9Y463]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	Q92630	Q9Y463	7.08339547156902	7.235028299170665	0.1516328276016452	Same Family
[Q92630, Q9Y463]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Br)c(n2)C(=O)O	Q92630	Q9Y463	7.795880017344075	7.096910013008056	0.6989700043360187	Same Family
[Q92630, Q9Y463]	c1ccc2c(c1)c3c(c4cccc(c4[nH]3)Cl)c(n2)C(=O)O	Q92630	Q9Y463	7.3979400086720375	6.6777807052660805	0.720159303405957	Same Family
[P36896, P36897]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36897	P36896	5.16304326294045	5.0401004121340565	0.12294285080639344	Same Family
[P36896, P36897]	CN1CCN(CC1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6c5cccc6	P36897	P36896	7.1249387366083	6.73754891026957	0.38738982633872965	Same Family
[P36896, P36897]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P36897	P36896	4.47755576649368	5.735182176990463	1.2576264104967834	Same Family
[P36896, P36897]	Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccnc5c4cc(cc5)C(=O)N	P36897	P36896	7.158640529545145	6.701146923590294	0.4574936059548511	Same Family
[P36896, P36897]	Cc1cccc(n1)c2c(nc([nH]2)CNc3ccccc3F)c4ccc5ncnn5c4	P36897	P36896	7.983997180562944	7.886056647693163	0.09794053286978066	Same Family
[P36896, P36897]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P36897	P36896	5.402304814074488	5.388276691992658	0.014028122081829686	Same Family
[P36896, P36897]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P36897	P36896	5.478861916295964	5.465973893943865	0.012888022352099071	Same Family
[P36896, P36897]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P36897	P36896	4.962573502059376	5.226945306635737	0.2643718045763608	Same Family
[P36896, P36897]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	P36897	P36896	4.911815221982964	4.589391457431632	0.32242376455133215	Same Family
[P36896, P36897]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P36897	P36896	6.274490773922271	5.738737131207507	0.5357536427147647	Same Family
[P36896, P36897]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCOCC6	P36897	P36896	6.749579997691106	6.486782399932061	0.26279759775904576	Same Family
[P36896, P36897]	c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	P36897	P36896	8.721246399047171	7.508638306165727	1.2126080928814442	Same Family
[P36897, Q04771]	CC(C)Oc1cccc(c1)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	5.719449308175472	6.102372908709558	0.38292360053408636	Same Family
[P36897, Q04771]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36897	Q04771	5.16304326294045	4.99978290702777	0.16326035591267996	Same Family
[P36897, Q04771]	CN(C)CCCOc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P36897	Q04771	6.000438859087887	7.573814174755489	1.5733753156676018	Same Family
[P36897, Q04771]	COc1cc(cc(c1)OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	6.093543321678572	7.853871964321762	1.7603286426431897	Same Family
[P36897, Q04771]	COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4	P36897	Q04771	6.252922702990778	7.823908740944319	1.5709860379535403	Same Family
[P36897, Q04771]	COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	6.865243527891042	8.0	1.1347564721089576	Same Family
[P36897, Q04771]	COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)N4CCNCC4	P36897	Q04771	7.13420561740663	7.769551078621726	0.6353454612150955	Same Family
[P36897, Q04771]	COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)NS(=O)(=O)C	P36897	Q04771	6.664877073462938	8.221848749616356	1.5569716761534185	Same Family
[P36897, Q04771]	COc1cc(ccc1Cl)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	5.4777693195946675	7.200659450546419	1.7228901309517513	Same Family
[P36897, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P36897	Q04771	4.47755576649368	7.47755576649368	3.0	Same Family
[P36897, Q04771]	COc1ccc(cc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	5.0219398068034895	7.638272163982407	2.6163323571789174	Same Family
[P36897, Q04771]	COc1cccc(c1)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	5.165155645971896	7.0655015487564325	1.9003459027845366	Same Family
[P36897, Q04771]	Cc1c(cc(cn1)c2ccc(cc2)N3CCNCC3)c4cc(c(c(c4)OC)OC)OC	P36897	Q04771	5.159379381312206	7.594212497064703	2.4348331157524967	Same Family
[P36897, Q04771]	Cc1ccc(cc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	P36897	Q04771	4.563776176105494	6.958607314841775	2.394831138736281	Same Family
[P36897, Q04771]	Cn1cc(c2ccncc2c1=O)c3cc(c(c(c3)OC)CN(C)C)OC	P36897	Q04771	5.414539270491499	5.289882634888183	0.12465663560331564	Same Family
[P36897, Q04771]	Cn1cc(c2ccncc2c1=O)c3cc(c(cc3OC)CN(C)C)OC	P36897	Q04771	5.289036881004725	5.293282217663241	0.00424533665851623	Same Family
[P36897, Q04771]	c1cc(c2cccnc2c1)c3cc(cnc3N)c4ccc(cc4)N5CCNCC5	P36897	Q04771	4.231392780727935	6.568636235841013	2.337243455113078	Same Family
[P36897, Q04771]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P36897	Q04771	5.402304814074488	7.581698708680254	2.1793938946057665	Same Family
[P36897, Q04771]	c1cc(ccc1c2cc(c(nc2)N)c3ccc4c(c3)OCCO4)N5CCNCC5	P36897	Q04771	4.622062572163754	5.728158393463501	1.1060958212997472	Same Family
[P36897, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P36897	Q04771	5.478861916295964	7.366531544420414	1.88766962812445	Same Family
[P36897, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P36897	Q04771	4.962573502059376	7.272458742971444	2.3098852409120676	Same Family
[P36897, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	P36897	Q04771	4.911815221982964	7.000070584323883	2.0882553623409184	Same Family
[P36897, Q04771]	c1ccc(cc1)c2cnn3c2ncc(c3)c4ccc(cc4)N5CCNCC5	P36897	Q04771	6.247951552180561	7.390192230671298	1.1422406784907366	Same Family
[P36897, Q04771]	c1ccc2c(c1)c(ccn2)c3cc(cnc3N)c4ccc(cc4)N5CCNCC5	P36897	Q04771	5.022156124843248	6.920818753952375	1.8986626291091273	Same Family
[P36897, Q04771]	c1ccc2c(c1)c(ccn2)c3cc(cnc3N)c4cccc(c4)N5CCNCC5	P36897	Q04771	5.426935982160881	6.958607314841775	1.5316713326808937	Same Family
[P36897, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P36897	Q04771	6.274490773922271	7.39040559077478	1.1159148168525084	Same Family
[P36897, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)OCCN6CCOCC6	P36897	Q04771	5.801893001126598	7.368860749743189	1.566967748616591	Same Family
[P36897, Q04771]	c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	P36897	Q04771	8.721246399047171	8.920818753952375	0.19957235490520375	Same Family
[O14965, P23443]	C#Cc1cccc(c1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.950781977329818	6.0	0.04921802267018194	Different Group
[O14965, P23443]	CC(=O)NCC(c1ccccc1OC)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.756961951313706	8.721246399047171	1.9642844477334656	Different Group
[O14965, P23443]	CC(=O)Nc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)C(F)(F)F)Cl	P23443	O14965	6.85078088734462	5.443697499232713	1.4070833881119071	Different Group
[O14965, P23443]	CC(=O)Nc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccccc3	P23443	O14965	4.534617148551582	5.853871964321762	1.3192548157701802	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.795880017344075	8.428291168191313	0.6324111508472381	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0268721464003	8.130768280269024	0.10389613386872298	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.173925197299173	8.080921907623926	0.9069967103247532	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.045757490560675	8.657577319177793	0.6118198286171186	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.18045606445813	7.886056647693163	0.2943994167649677	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CC(c1cccc(c1)[N+](=O)[O-])Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.468521082957745	6.0	2.4685210829577446	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)N(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.42021640338319	9.0	1.5797835966168101	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)Nc1ccc(cc1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.300162274132754	5.1249387366083	0.1752235375244542	Different Group
[O14965, P23443]	CC(C)(C)OC(=O)Nc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.59176003468815	6.2441251443275085	0.34763489036064144	Different Group
[O14965, P23443]	CC(C)CNc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.1938200260161125	9.657577319177793	2.463757293161681	Different Group
[O14965, P23443]	CC(C)CNc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.036212172654444	9.318758762624412	2.282546589969968	Different Group
[O14965, P23443]	CC(C)N(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.7447274948966935	6.853871964321762	0.8908555305749317	Different Group
[O14965, P23443]	CC(C)N1CCC(CC1)C(=O)Nc2cccc(c2)CNC3=NC=NC4C3=CCC=C4C(=O)N	P23443	O14965	6.494850021680094	7.494850021680094	1.0	Different Group
[O14965, P23443]	CC(C)NC(=O)Nc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.847711655616943	6.795880017344075	0.0518316382728683	Different Group
[O14965, P23443]	CC(C)NCC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.585026652029182	6.096910013008056	1.4881166390211256	Different Group
[O14965, P23443]	CC(C)OC(=O)N(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4=CCCC(=c4ncn3)C(=O)N	P23443	O14965	7.0	8.229884705212898	1.229884705212898	Different Group
[O14965, P23443]	CC(C)Oc1cc2c(c(c1)C(=O)N)ncnc2NC(CN(C)C)c3cccc(c3)F	P23443	O14965	7.42021640338319	6.795880017344075	0.6243363860391149	Different Group
[O14965, P23443]	CC(C)c1cc([nH]n1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.010681525807762	10.372363747448347	2.361682221640585	Different Group
[O14965, P23443]	CC(C)c1csc(n1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.167491087293763	9.10790539730952	1.9404143100157558	Different Group
[O14965, P23443]	CC(C)n1cc(cn1)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	P23443	O14965	6.455931955649724	6.920818753952375	0.46488679830265056	Different Group
[O14965, P23443]	CC(C1=CC(=CCC1)NC(=O)C2(CCC2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.3979400086720375	8.795880017344075	2.3979400086720375	Different Group
[O14965, P23443]	CC(C1=CC(=CCC1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.0	7.853871964321762	1.8538719643217618	Different Group
[O14965, P23443]	CC(C1=CC(=CCC1)NC(=O)c2ccnc(c2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.494850021680094	9.275724130399212	1.780874108719118	Different Group
[O14965, P23443]	CC(CC(F)(F)F)C(=O)Nc1cccc(c1)C(C)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.3872161432802645	8.602059991327963	2.214843848047698	Different Group
[O14965, P23443]	CC(c1ccc(c(c1)NC(=O)c2ccc(c(c2)F)OC)F)Nc3c4cccc(c4ccn3)C(=O)N	P23443	O14965	7.619788758288394	9.920818753952375	2.3010299956639813	Different Group
[O14965, P23443]	CC(c1cccc(c1)N)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.920818753952375	7.698970004336019	0.7781512503836439	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C(C(F)(F)F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.050609993355088	8.744727494896694	2.694117501541606	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2(CC2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.537602002101044	9.065501548756432	2.5278995466553873	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2=CCC(C=C2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.18045606445813	9.585026652029182	1.404570587571051	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2=CCC(N=C2)Cl)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0	8.886056647693163	0.8860566476931631	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2=CN(CC=C2)O)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.292429823902063	7.356547323513813	0.06411749961174973	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2CC(=O)NC2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.161150909262744	7.455931955649724	1.29478104638698	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.568636235841013	9.065501548756432	2.4968653129154186	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2CC2(C)C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.795880017344075	9.1249387366083	2.329058719264225	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2CC2(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.721246399047171	10.071333751784366	3.3500873527371944	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)C2CCCC2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.236572006437063	9.920818753952375	2.684246747515312	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)CC(F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.522878745280337	8.508638306165727	1.9857595608853895	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)N2CCC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.050609993355087	9.142667503568731	2.0920575102136443	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)OC(C)(C)C)Nc2c3cc(cc(c3ncn2)C(=O)N)OCc4ccccc4	P23443	O14965	5.0	8.42021640338319	3.42021640338319	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)Oc2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.552841968657781	8.67778070526608	2.1249387366083	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cc(ccc2F)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.301029995663981	9.958607314841775	1.6575773191777934	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cc(n[nH]2)C(C)(C)C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.190557757502274	10.309894379144197	2.1193366216419225	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cc(n[nH]2)C(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.920818753952375	9.698970004336019	1.7781512503836439	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cc[n+](cc2)[O-])Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.356547323513813	7.769551078621726	0.4130037551079129	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.09151498112135	9.67778070526608	1.5862657241447309	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)C#N)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0268721464003	9.337242168318426	1.310370021918125	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.251811972993799	9.387216143280265	2.1354041702864652	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)Cl)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0	9.698970004336019	1.6989700043360187	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)O)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.337242168318426	8.0	1.6627578316815743	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.823908740944319	9.744727494896694	2.920818753952375	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)NC3=NC=NC4C3=CC(C=C4C(=O)N)Cl	P23443	O14965	6.522878745280337	9.522878745280337	3.0	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cc(cc(c4ncn3)C(=O)N)F	P23443	O14965	6.638272163982407	9.080921907623926	2.4426497436415193	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.432433674311612	9.744058319510563	2.3116246451989504	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cc(cc(c4ncn3)C(=O)N)OCc5ccccc5	P23443	O14965	5.259637310505756	8.045757490560675	2.786120180054919	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN(C)C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.259637310505756	8.508638306165727	2.249000995659971	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.0054976921507315	8.377243666092925	1.3717459739421933	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)N3CCN(CC3)C)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.2441251443275085	8.05551732784983	0.8113921835223223	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)N3CCOCC3)NC4=NC=NC5C4=CCC=C5C(=O)N	P23443	O14965	7.376750709602099	9.42021640338319	2.0434656937810907	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.221848749616356	9.275724130399212	2.0538753807828556	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(cc2F)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.568636235841012	9.602059991327963	1.0334237554869503	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)Nc3c4cc(cc(c4ncn3)C(=O)N)F	P23443	O14965	7.102372908709558	9.214670164989233	2.1122972562796747	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.932433674311612	9.916341332625912	1.9839076583142994	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc(nc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.258849116388278	10.077450979992872	1.8186018636045933	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCCO3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.809894379144197	8.958607314841775	1.1487129356975778	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccc3c(c2)OCO3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.334286351739628	7.823908740944319	0.5103776107953095	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cccc(c2)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.823908740944319	9.0268721464003	1.2029634054559821	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6777807052660805	9.040958607678906	1.3631779024128257	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cccn2C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.468521082957745	9.443697499232712	1.9751764162749677	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccnc(c2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.200659450546418	9.657577319177793	1.4569178686313755	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccoc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.3979400086720375	9.2518119729938	1.8538719643217618	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2ccoc2CN3CCOCC3)N	P23443	O14965	6.060480747381382	7.6020599913279625	1.5415792439465807	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cnc(nc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.585026652029182	9.602059991327963	2.0170333392987807	Different Group
[O14965, P23443]	CC(c1cccc(c1)NC(=O)c2cncnc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.229147988357856	8.920818753952375	1.6916707655945187	Different Group
[O14965, P23443]	CC(c1cccc(c1)Nc2c(cc(cn2)C(F)(F)F)Cl)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.318758762624412	8.638272163982407	2.3195134013579946	Different Group
[O14965, P23443]	CC(c1cccc(c1)Nc2cc(ccn2)C#N)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.698970004336019	10.096910013008056	2.3979400086720375	Different Group
[O14965, P23443]	CC(c1cccc(c1)Nc2cc(ccn2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.0	9.508638306165727	2.508638306165727	Different Group
[O14965, P23443]	CC(c1cccc(c1)Nc2ccc(cn2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.455931955649724	8.698970004336019	2.2430380486862944	Different Group
[O14965, P23443]	CC(c1cccc(c1)Nc2ccc(cn2)CN3CCOCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.119186407719209	8.207608310501746	2.088421902782537	Different Group
[O14965, P23443]	CC(c1cccc2c1cccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.375717904164332	9.18045606445813	1.804738160293799	Different Group
[O14965, P23443]	CC(c1ccccc1)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	7.31069114087638	7.481486060122113	0.17079491924573276	Different Group
[O14965, P23443]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P23443	O14965	9.0	8.160579629225387	0.8394203707746133	Different Group
[O14965, P23443]	CC1CC=C(C=C1F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.431798275933005	10.045757490560675	1.6139592146276698	Different Group
[O14965, P23443]	CC1CCCN1c2cc(ccn2)C(=O)Nc3cccc(c3)C(CN(C)C)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.67778070526608	8.958607314841775	0.28082660957569416	Different Group
[O14965, P23443]	CCC(C)C(=O)Nc1cccc(c1)C(C)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.481486060122113	8.958607314841775	2.4771212547196617	Different Group
[O14965, P23443]	CCC(C1=CC(=CCC1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.0	7.920818753952375	1.920818753952375	Different Group
[O14965, P23443]	CCC(c1cccc(c1)NC(=O)C2CC(C2)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.7447274948966935	8.744727494896694	2.0	Different Group
[O14965, P23443]	CCC(c1cccc(c1)NC(=O)C2CC2(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.886056647693163	8.602059991327963	1.7160033436347994	Different Group
[O14965, P23443]	CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.657577319177793	9.494850021680094	1.8372727025023003	Different Group
[O14965, P23443]	CCC(c1cccc(c1)NC(=O)c2ccc(nc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0268721464003	8.958607314841775	0.9317351684414739	Different Group
[O14965, P23443]	CCC(c1cccc(c1)NC(=O)c2ccc(nc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.397940008672037	9.481486060122112	1.0835460514500745	Different Group
[O14965, P23443]	CCCN(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.522878745280337	6.4089353929735005	1.113943352306837	Different Group
[O14965, P23443]	CCN(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.657577319177793	6.301029995663981	1.3565473235138121	Different Group
[O14965, P23443]	CCN(CC(C1CC=CC=C1)Nc2ccccc(cncn2)C(=O)N)C(C)C	P23443	O14965	7.267606240177032	7.251811972993799	0.015794267183232513	Different Group
[O14965, P23443]	CCN(CC)C1CCN(C1)c2cc(ccn2)C(=O)Nc3cccc(c3)C(CN(C)C)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.619788758288394	7.721246399047171	0.8985423592412225	Different Group
[O14965, P23443]	CCN(CC)CCNCc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(c4ccc(cc4)OC)O	P23443	O14965	5.301029995663981	8.154901959985743	2.853871964321762	Different Group
[O14965, P23443]	CCN(CC)CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	P23443	O14965	6.0	8.318758762624412	2.3187587626244124	Different Group
[O14965, P23443]	CCN(CC)c1ccc(cc1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.455931955649724	9.431798275933005	1.9758663202832807	Different Group
[O14965, P23443]	CCNC(=O)Nc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.1700533040583645	5.7447274948966935	1.425325809161671	Different Group
[O14965, P23443]	CCNCC(c1cccc(c1)F)Nc2c3=CCCC(=c3ncn2)C(=O)N	P23443	O14965	8.537602002101044	6.508638306165727	2.0289636959353174	Different Group
[O14965, P23443]	CCNCC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	8.022276394711152	6.2441251443275085	1.7781512503836439	Different Group
[O14965, P23443]	CCNCC(c1ccccc1)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	8.55284196865778	6.7447274948966935	1.808114473761087	Different Group
[O14965, P23443]	CCNCC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.130768280269024	6.173925197299173	1.9568430829698507	Different Group
[O14965, P23443]	CCOC(=O)N1CCN(CC1)CCOc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.405607449624573	6.036212172654444	0.6306047230298715	Different Group
[O14965, P23443]	CCOC(=O)Nc1cccc(c1)C(C)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.638272163982407	9.221848749616356	2.583576585633949	Different Group
[O14965, P23443]	CCOC(=O)c1ccc(cn1)C(=O)NC2=CCCC(=C2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.236572006437063	9.638272163982407	2.401700157545344	Different Group
[O14965, P23443]	CCOC(=O)c1coc(n1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.040958607678906	8.853871964321762	2.8129133566428557	Different Group
[O14965, P23443]	CCOc1cc(ccn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.2839966563652006	9.327902142064282	2.0439054856990815	Different Group
[O14965, P23443]	CCOc1cc2c(c(c1)C(=O)N)ncnc2NC(CN(C)C)c3cccc(c3)F	P23443	O14965	8.142667503568731	7.008773924307505	1.1338935792612261	Different Group
[O14965, P23443]	CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	P23443	O14965	7.928117992693875	9.200659450546418	1.272541457852543	Different Group
[O14965, P23443]	CCn1c(cc(n1)C(=O)Nc2ccccc2)C	P23443	O14965	7.251811972993799	8.886056647693163	1.6342446746993637	Different Group
[O14965, P23443]	CCn1c(cc(n1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.552841968657781	8.537602002101044	0.9847600334432638	Different Group
[O14965, P23443]	CN(C)CC(C1CC=CC=C1OC)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.187086643357144	6.086186147616283	1.100900495740861	Different Group
[O14965, P23443]	CN(C)CC(c1ccc(c(c1)Cl)Cl)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.102372908709558	6.853871964321762	2.2485009443877964	Different Group
[O14965, P23443]	CN(C)CC(c1ccc(cc1)C(F)(F)F)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.853871964321762	6.0	3.853871964321762	Different Group
[O14965, P23443]	CN(C)CC(c1ccc(cc1)Cl)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	8.853871964321762	6.42021640338319	2.433655560938572	Different Group
[O14965, P23443]	CN(C)CC(c1ccc(cc1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	7.7447274948966935	6.275724130399211	1.4690033644974827	Different Group
[O14965, P23443]	CN(C)CC(c1ccc(cc1)F)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.050609993355087	6.036212172654444	2.0143978207006423	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)Br)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.050609993355087	6.318758762624412	2.7318512307306744	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)Cl)Nc2c3cc(cc(c3ncn2)C(=O)N)O	P23443	O14965	7.823908740944319	6.481486060122113	1.3424226808222057	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)Cl)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.958607314841775	6.42021640338319	2.5383909114585848	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)O	P23443	O14965	7.795880017344075	6.795880017344075	1.0	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	8.55284196865778	6.958607314841775	1.594234653816006	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OC4CCC4	P23443	O14965	7.823908740944319	7.136677139879544	0.6872316010647745	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OCC4CC4	P23443	O14965	8.337242168318426	7.2441251443275085	1.0931170239909171	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OCCOC	P23443	O14965	7.7447274948966935	6.6777807052660805	1.066946789630613	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OCc4ccc(cc4)F	P23443	O14965	7.119186407719209	6.522878745280337	0.5963076624388712	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OCc4ccc(cc4)OC	P23443	O14965	7.920818753952375	7.568636235841013	0.3521825181113618	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)N)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.853871964321762	6.0	1.8538719643217618	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2cc(cnc2)N3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.958607314841775	9.075720713938118	0.11711339909634333	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4=CCCC(=c4ncn3)C(=O)N	P23443	O14965	8.585026652029182	8.886056647693163	0.30102999566398125	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.187086643357144	9.236572006437063	0.0494853630799188	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.259637310505756	9.585026652029182	0.3253893415234259	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.886056647693163	9.173925197299173	0.28786854960601005	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccc(cc2F)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.0	9.602059991327963	0.6020599913279625	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccccc2F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.236572006437063	9.119186407719209	0.11738559871785448	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)Cl)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.09151498112135	8.886056647693163	0.20545833342818653	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)N(C)C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.0	8.309803919971486	0.6901960800285138	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)N3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	9.167491087293763	9.568636235841012	0.4011451485472488	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	9.096910013008056	9.214670164989233	0.11776015198117662	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)NCc2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.508638306165727	8.086186147616283	0.5775478414505564	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)OC)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.167491087293763	6.2441251443275085	1.9233659429662548	Different Group
[O14965, P23443]	CN(C)CC(c1cccc(c1)[N+](=O)[O-])Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.356547323513812	6.0	2.356547323513812	Different Group
[O14965, P23443]	CN(C)CC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.455931955649724	6.886056647693163	1.5698753079565613	Different Group
[O14965, P23443]	CN(C)CC(c1ccccc1OC)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	7.0655015487564325	6.327902142064283	0.7375994066921496	Different Group
[O14965, P23443]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.568636235841013	8.958607314841775	1.3899710790007616	Different Group
[O14965, P23443]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6777807052660805	8.853871964321762	1.1760912590556813	Different Group
[O14965, P23443]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2cccc(c2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.886056647693163	8.4089353929735	0.5228787452803374	Different Group
[O14965, P23443]	CN(C)CCC(C1=CCCC(=C1)NC(=O)c2ccccc2F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6777807052660805	7.721246399047171	0.043465693781090664	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2cc(ccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.42021640338319	8.259637310505756	0.839420907122566	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.154901959985743	8.301029995663981	1.1461280356782382	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.292429823902063	9.920818753952375	1.6283889300503116	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.387216143280265	9.00436480540245	0.6171486621221849	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.657577319177793	9.3767507096021	1.7191733904243058	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.318758762624412	9.09151498112135	1.7727562184969372	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccc(cc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.4089353929735	8.638272163982407	0.22933677100890648	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.568636235841013	9.744727494896694	3.1760912590556805	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)NC(c2cc(n[nH]2)C3CC3)O)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.366531544420414	9.356547323513812	1.9900157790933983	Different Group
[O14965, P23443]	CN(C)CCC(c1cccc(c1)[N+](=O)[O-])Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.6020599913279625	5.795880017344075	1.8061799739838875	Different Group
[O14965, P23443]	CN(C)CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	P23443	O14965	6.0	8.958607314841775	2.9586073148417746	Different Group
[O14965, P23443]	CN(C)CCNC(=O)CC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.431798275933005	9.397940008672037	1.9661417327390325	Different Group
[O14965, P23443]	CN(C)CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	P23443	O14965	6.632644078973981	5.0	1.6326440789739811	Different Group
[O14965, P23443]	CN(C)CCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccnc(c4)N5CCCC5	P23443	O14965	6.040958607678906	8.10790539730952	2.066946789630613	Different Group
[O14965, P23443]	CN(C)CCOc1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.259637310505756	7.292429823902063	0.0327925133963074	Different Group
[O14965, P23443]	CN(C)CCOc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.585026652029182	7.3979400086720375	0.1870866433571443	Different Group
[O14965, P23443]	CN(C)CCOc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.782516055786093	5.795880017344075	0.013363961557981696	Different Group
[O14965, P23443]	CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.585026652029182	7.657577319177793	0.07255066714861158	Different Group
[O14965, P23443]	CN(C)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.91721462968355	8.823908740944319	0.9066941112607685	Different Group
[O14965, P23443]	CN(C)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.931814138253839	9.958607314841775	2.026793176587936	Different Group
[O14965, P23443]	CN(C)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.8297382846050425	9.013228265733755	1.1834899811287123	Different Group
[O14965, P23443]	CN(C)c1cccc(n1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.866461091629782	8.200659450546418	1.3341983589166357	Different Group
[O14965, P23443]	CN(CC(c1ccccc1)Nc2c3=CCCC(=c3ncn2)C(=O)N)C4CC4	P23443	O14965	7.180456064458132	6.823908740944319	0.356547323513813	Different Group
[O14965, P23443]	CN(CCC(C1=CC(=CCC1)[N+](=O)[O-])Nc2c3cccc(c3ncn2)C(=O)N)CC=C	P23443	O14965	7.154901959985743	5.823908740944319	1.3309932190414244	Different Group
[O14965, P23443]	CN(CCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N)CC=C	P23443	O14965	8.494850021680094	9.397940008672037	0.9030899869919438	Different Group
[O14965, P23443]	CN(CCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N)CC=C	P23443	O14965	7.795880017344075	9.795880017344075	2.0	Different Group
[O14965, P23443]	CN(CCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N)CC=C	P23443	O14965	7.6777807052660805	9.309803919971486	1.6320232147054057	Different Group
[O14965, P23443]	CN(CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F)CCO	P23443	O14965	6.540607512240769	5.958607314841775	0.5820001973989948	Different Group
[O14965, P23443]	CN(CCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F)CCOC	P23443	O14965	6.709965388637482	8.455931955649724	1.7459665670122426	Different Group
[O14965, P23443]	CN(CCO)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.301029995663981	8.769551078621726	0.46852108295774464	Different Group
[O14965, P23443]	CN(CCO)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6777807052660805	9.161150909262744	1.4833702039966639	Different Group
[O14965, P23443]	CN(CCOC)c1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.585026652029182	8.301029995663981	0.7160033436347994	Different Group
[O14965, P23443]	CN(CCOC)c1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.309803919971486	10.045757490560675	2.7359535705891886	Different Group
[O14965, P23443]	CN1CCN(CC1)CC2CC(=c3c(=C2)c(ncn3)NCc4cccc(c4)NC(=O)C5=CCC(C=C5)OC)C(=O)N	P23443	O14965	5.552841968657781	7.161150909262744	1.6083089406049638	Different Group
[O14965, P23443]	CN1CCN(CC1)CCCOc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	P23443	O14965	6.860120913598763	8.167491087293763	1.3073701736950003	Different Group
[O14965, P23443]	CN1CCN(CC1)CCOc2cccc(c2)NC(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.050609993355087	7.494850021680094	0.444240028325007	Different Group
[O14965, P23443]	CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.920818753952375	8.136677139879543	1.2158583859271683	Different Group
[O14965, P23443]	CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.481486060122113	7.3979400086720375	0.08354605145007543	Different Group
[O14965, P23443]	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)CNc4c5cccc(c5cnn4)C(=O)N	P23443	O14965	7.214670164989233	8.468521082957745	1.2538509179685118	Different Group
[O14965, P23443]	CN1CCN(CC1)c2ccc(cn2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.886056647693163	8.638272163982407	0.7522155162892439	Different Group
[O14965, P23443]	CNC(=O)c1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.7544873321858505	5.920818753952375	0.8336685782334756	Different Group
[O14965, P23443]	CNCC(Cc1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.136677139879544	6.0	1.136677139879544	Different Group
[O14965, P23443]	CNCC(c1ccc(c(c1)Cl)Cl)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.443697499232712	6.267606240177032	3.1760912590556805	Different Group
[O14965, P23443]	CNCC(c1ccc(cc1)OC)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.886056647693163	5.619788758288394	3.2662678894047694	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)Cl)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	9.420818753952375	6.6777807052660805	2.7430380486862944	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)Cl)Nc2c3cc(cc(c3ncn2)C(=O)N)OCc4ccccc4	P23443	O14965	8.309803919971486	6.522878745280337	1.7869251746911488	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)Cl)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.18045606445813	7.026872146400302	2.153583918057829	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OC	P23443	O14965	9.27212089844793	6.659379381312206	2.6127415171357242	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)F)Nc2c3cc(cc(c3ncn2)C(=O)N)OCCN(C)C	P23443	O14965	7.638272163982407	6.0	1.638272163982407	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)F)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.122062572163754	6.638272163982407	2.4837904081813473	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.075720713938118	9.0	0.07572071393811797	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.3767507096021	9.356547323513812	0.02020338608828709	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.00436480540245	8.958607314841775	0.045757490560674796	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.214670164989233	9.769551078621726	0.554880913632493	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4=CCCC(=c4ncn3)C(=O)N	P23443	O14965	8.397940008672037	9.207608310501746	0.8096683018297082	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3ccccc(cncn3)C(=O)N	P23443	O14965	8.853871964321762	9.769551078621726	0.9156791142999641	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.958607314841775	9.619788758288394	0.661181443446619	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.67778070526608	9.468521082957745	0.7907403776916642	Different Group
[O14965, P23443]	CNCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	9.086186147616283	9.130768280269024	0.04458213265274047	Different Group
[O14965, P23443]	CNCC(c1ccccc1)N=C2C3=CCC=CC3N=CN2	P23443	O14965	9.55284196865778	6.657577319177793	2.895264649479987	Different Group
[O14965, P23443]	CNCC(c1ccccc1)Nc2c3c(ccc(c3ncn2)C(=O)N)OC	P23443	O14965	8.886056647693163	6.173925197299173	2.71213145039399	Different Group
[O14965, P23443]	CNCC(c1ccccc1)Nc2c3cc(cc(c3ncn2)C(=O)N)O	P23443	O14965	7.958607314841775	6.251811972993799	1.7067953418479753	Different Group
[O14965, P23443]	CNCC(c1ccccc1)Nc2c3cc(cc(c3ncn2)C(=O)N)OCCCN(C)C	P23443	O14965	7.113509274827518	6.0	1.1135092748275177	Different Group
[O14965, P23443]	CNCC(c1ccccc1)Nc2c3cc(cc(c3ncn2)C(=O)N)OCc4ccccc4	P23443	O14965	7.552841968657781	6.3979400086720375	1.154901959985743	Different Group
[O14965, P23443]	CNCC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.122062572163754	5.974423738776309	2.147638833387445	Different Group
[O14965, P23443]	CNCCC(c1cccc(c1)[N+](=O)[O-])Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.031517051446064	6.0	2.0315170514460643	Different Group
[O14965, P23443]	CNCCOc1cccc(c1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.443697499232713	7.698970004336019	0.25527250510330557	Different Group
[O14965, P23443]	CNCc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	P23443	O14965	5.638272163982407	8.698970004336019	3.060697840353612	Different Group
[O14965, P23443]	CNc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.721246399047171	9.823908740944319	2.1026623418971475	Different Group
[O14965, P23443]	CNc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.180456064458132	9.161150909262744	1.9806948448046127	Different Group
[O14965, P23443]	COCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.795880017344075	9.013228265733755	1.2173482483896798	Different Group
[O14965, P23443]	COCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.09151498112135	9.4089353929735	1.3174204118521509	Different Group
[O14965, P23443]	COCC(c1cccc(c1)[N+](=C)[O-])Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.508638306165727	6.259637310505756	1.249000995659971	Different Group
[O14965, P23443]	COCC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.5968794788241825	5.6020599913279625	0.99481948749622	Different Group
[O14965, P23443]	COCC1CCCN1CCCOc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	P23443	O14965	6.892790030352131	5.1249387366083	1.7678512937438313	Different Group
[O14965, P23443]	COCCC(C1=CCCC(=C1)NC(=O)c2cc(ccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.823908740944319	9.200659450546418	1.3767507096020992	Different Group
[O14965, P23443]	COCCC(C1=CCCC(=C1)NC(=O)c2ccc(cc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.356547323513812	9.2839966563652	0.9274493328513884	Different Group
[O14965, P23443]	COCCC(C1=CCCC(=C1)NC(=O)c2ccccc2F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6020599913279625	9.00436480540245	1.402304814074487	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2c(cccc2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.154901959985743	9.397940008672037	1.2430380486862944	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2cc(n[nH]2)C3CC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.522878745280337	9.522878745280337	2.0	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.698970004336019	9.698970004336019	2.0	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(c(c2)F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.080921907623926	9.431798275933005	2.3508763683090788	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)Br)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.823908740944319	10.301029995663981	2.4771212547196626	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.045757490560675	9.744727494896694	1.6989700043360187	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.2839966563652006	10.301029995663981	3.0170333392987807	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccc(cc2F)OC)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.522878745280337	9.744727494896694	2.221848749616356	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2cccc(c2F)F)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.0	8.920818753952375	0.9208187539523749	Different Group
[O14965, P23443]	COCCC(c1cccc(c1)NC(=O)c2ccccc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.638272163982407	9.42021640338319	1.781944239400783	Different Group
[O14965, P23443]	COCCCNC(=O)Nc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.341035157335565	5.013228265733755	1.32780689160181	Different Group
[O14965, P23443]	COCCCOC1CC=CC(=C1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.443697499232713	8.346787486224656	0.9030899869919429	Different Group
[O14965, P23443]	COCCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	P23443	O14965	7.623423042943488	7.107905397309519	0.5155176456339685	Different Group
[O14965, P23443]	COCCNCC(c1ccccc1)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.721246399047171	6.102372908709558	1.618873490337613	Different Group
[O14965, P23443]	COCCNc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.0655015487564325	8.148741651280925	1.0832401025244929	Different Group
[O14965, P23443]	COCCNc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.045757490560675	9.18045606445813	2.134698573897456	Different Group
[O14965, P23443]	COCCOc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)OC	P23443	O14965	6.0	10.221848749616356	4.221848749616356	Different Group
[O14965, P23443]	COCCOc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.185086818724926	5.2076083105017466	0.9774785082231796	Different Group
[O14965, P23443]	COc1cc(cc(c1)OC)CNc2cncc3c2cccc3C(=O)N	P23443	O14965	6.954677021213342	8.142667503568731	1.1879904823553886	Different Group
[O14965, P23443]	COc1cc(ccn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.494850021680094	9.031517051446064	1.5366670297659706	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NC(CN)c3ccccc3	P23443	O14965	9.4089353929735	7.318758762624412	2.090176630349088	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)C(F)(F)F)Cl	P23443	O14965	8.744727494896694	6.422508200162775	2.3222192947339186	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)Cl)Cl	P23443	O14965	8.568636235841012	6.657577319177793	1.9110589166632188	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	P23443	O14965	8.337242168318426	6.229147988357856	2.1080941799605695	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)C(F)(F)F	P23443	O14965	8.508638306165727	6.698970004336019	1.8096683018297082	Different Group
[O14965, P23443]	COc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)NC(=O)c4ccc(cc4)F	P23443	O14965	8.769551078621726	9.397940008672037	0.6283889300503116	Different Group
[O14965, P23443]	COc1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)OC	P23443	O14965	7.473660722610156	6.467245621007502	1.006415101602654	Different Group
[O14965, P23443]	COc1ccc(c(c1)OC)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.142667503568732	9.113509274827518	1.9708417712587858	Different Group
[O14965, P23443]	COc1ccc(c2c1c(ncn2)NCc3cccc(c3)F)C(=O)N	P23443	O14965	7.455931955649724	6.221848749616356	1.2340832060333682	Different Group
[O14965, P23443]	COc1ccc(c2c1c(ncn2)NCc3ccccc3)C(=O)N	P23443	O14965	7.130768280269024	6.522878745280337	0.6078895349886864	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2ccc3c(c2)CN(CC3)c4c5cccc(c5ncn4)C(=O)N	P23443	O14965	5.853871964321762	7.721246399047171	1.8673744347254093	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.6777807052660805	8.229147988357855	1.5513672830917749	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.631403678647631	9.110707336068518	2.4793036574208873	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.456109291095229	9.113106777509403	2.6569974864141734	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)C(CCO)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.769551078621726	10.045757490560675	2.276206411938949	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CCCCO	P23443	O14965	6.508638306165727	9.698970004336019	3.190331698170292	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CN5CCOCC5	P23443	O14965	5.00436480540245	7.568636235841013	2.5642714304385628	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cc(cc(c4ncn3)C(=O)N)CO	P23443	O14965	5.508638306165727	9.236572006437063	3.727933700271336	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncc3C(=O)N)C(=O)N	P23443	O14965	5.552841968657781	7.443697499232713	1.8908555305749326	Different Group
[O14965, P23443]	COc1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.694648630553377	9.537602002101044	1.8429533715476678	Different Group
[O14965, P23443]	COc1ccc(cc1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.154901959985743	5.698970004336019	3.4559319556497243	Different Group
[O14965, P23443]	COc1ccc(cc1)CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.4723700991286615	5.6777807052660805	1.794589393862581	Different Group
[O14965, P23443]	COc1ccc(cc1)CCNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.616184634019569	5.0	1.616184634019569	Different Group
[O14965, P23443]	COc1ccc(cc1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.522878745280337	6.638272163982407	0.8846065812979305	Different Group
[O14965, P23443]	COc1ccc(cc1C(F)(F)F)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.0	9.920818753952375	2.920818753952375	Different Group
[O14965, P23443]	COc1ccc(cc1F)C(=O)Nc2cccc(c2)CNc3ccnc4c3cccc4C(=O)N	P23443	O14965	7.070581074285707	9.136677139879545	2.066096065593838	Different Group
[O14965, P23443]	COc1ccc(cc1OC)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.301029995663981	5.309803919971486	3.991226075692495	Different Group
[O14965, P23443]	COc1ccc(cn1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.468521082957745	9.18045606445813	1.7119349815003861	Different Group
[O14965, P23443]	COc1cccc(c1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.468521082957745	6.113509274827518	2.355011808130227	Different Group
[O14965, P23443]	COc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.6252516539898965	6.455931955649724	1.1693196983401721	Different Group
[O14965, P23443]	COc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.010550182333308	6.142667503568732	0.8678826787645759	Different Group
[O14965, P23443]	COc1ccccc1C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.244125144327509	5.823908740944319	2.42021640338319	Different Group
[O14965, P23443]	COc1ccccc1C(CNS(=O)(=O)C)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.0	6.040958607678906	1.0409586076789061	Different Group
[O14965, P23443]	COc1ccccc1CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.73754891026957	7.494850021680094	0.7573011114105235	Different Group
[O14965, P23443]	COc1ccccc1NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.806875401645539	8.585026652029182	1.778151250383643	Different Group
[O14965, P23443]	CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.275724130399211	8.853871964321762	1.578147833922551	Different Group
[O14965, P23443]	CS(=O)(=O)c1ccc(cc1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.863279432843593	6.236572006437063	1.6267074264065302	Different Group
[O14965, P23443]	Cc1[nH]c2c(n1)ccnc2Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.886056647693163	8.065501548756432	1.1794449010632686	Different Group
[O14965, P23443]	Cc1c(cco1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6777807052660805	9.0268721464003	1.3490914411342203	Different Group
[O14965, P23443]	Cc1c(sc(n1)C)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.017728766960431	9.136677139879545	1.1189483729191139	Different Group
[O14965, P23443]	Cc1cc(c(o1)C(F)(F)F)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.337242168318426	8.795880017344075	1.4586378490256493	Different Group
[O14965, P23443]	Cc1cc(ccc1Cl)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.148741651280925	9.42021640338319	1.2714747521022645	Different Group
[O14965, P23443]	Cc1cc(ccc1N2CCOCC2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.6777807052660805	9.522878745280337	2.845098040014257	Different Group
[O14965, P23443]	Cc1cc(ccc1OC)C(N=C2CC(CC=C2)CNc3c4cccc(c4ncn3)C(=O)N)O	P23443	O14965	7.522878745280337	9.698970004336019	2.1760912590556813	Different Group
[O14965, P23443]	Cc1cc(nn1CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)C(F)(F)F	P23443	O14965	6.301029995663981	7.721246399047171	1.4202164033831899	Different Group
[O14965, P23443]	Cc1cc2c(c(c1)C(=O)N)ncnc2NC(C)c3cccc(c3)NC(=O)c4ccc(c(c4)F)OC	P23443	O14965	6.0	8.619788758288394	2.6197887582883936	Different Group
[O14965, P23443]	Cc1cc2c(c(c1)C(=O)N)ncnc2NCc3cccc(c3)F	P23443	O14965	5.1911141326401875	5.886056647693163	0.6949425150529756	Different Group
[O14965, P23443]	Cc1ccc(cc1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.221848749616356	6.180456064458132	3.0413926851582245	Different Group
[O14965, P23443]	Cc1ccc(cc1C)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.318758762624412	9.568636235841012	1.2498774732165998	Different Group
[O14965, P23443]	Cc1ccc(cc1Cl)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.795880017344075	9.2518119729938	1.4559319556497243	Different Group
[O14965, P23443]	Cc1ccc(cn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cc(cc(c4ncn3)C(=O)N)Cl	P23443	O14965	6.823908740944319	9.065501548756432	2.241592807812113	Different Group
[O14965, P23443]	Cc1ccc(cn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.154017448616319	9.296729909783021	1.1427124611667026	Different Group
[O14965, P23443]	Cc1cccc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.272458742971444	7.0	0.7275412570285562	Different Group
[O14965, P23443]	Cc1cccc(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.080921907623926	8.67778070526608	1.5968587976421542	Different Group
[O14965, P23443]	Cc1ccccc1CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.493494967595128	5.055517327849832	1.437977639745296	Different Group
[O14965, P23443]	Cc1ccnc(c1)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.4089353929735005	9.070581074285707	2.6616456813122067	Different Group
[O14965, P23443]	Cc1cnc(cn1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.56656109283125	8.47616790269922	0.9096068098679702	Different Group
[O14965, P23443]	Cc1ncc(s1)C(=O)Nc2cccc(c2)C(C)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.958607314841775	9.455931955649724	1.4973246408079497	Different Group
[O14965, P23443]	Cn1cnc2c1ccnc2Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.42021640338319	8.292429823902063	0.8722134205188734	Different Group
[O14965, P23443]	c1c(cc(c2c1c(ncn2)NC3CCCNC3)C(=O)N)C4=CCC(C=C4)C(=O)N	P23443	O14965	6.055517327849832	6.1938200260161125	0.1383026981662807	Different Group
[O14965, P23443]	c1cc(c(c(c1)F)F)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.4089353929735005	5.721246399047171	1.6876889939263293	Different Group
[O14965, P23443]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)N)C(F)(F)F)Cl	P23443	O14965	7.140861702705469	8.309803919971486	1.168942217266017	Different Group
[O14965, P23443]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)NC(=O)c4ccncc4)C(F)(F)F)Cl	P23443	O14965	6.448550002027125	6.022276394711152	0.42627360731597275	Different Group
[O14965, P23443]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)NC(=O)c4ccno4)C(F)(F)F)Cl	P23443	O14965	5.255707016877324	6.468521082957745	1.212814066080421	Different Group
[O14965, P23443]	c1cc(c(cc1CNc2c3cc(cc(c3ncn2)C(=O)N)[N+](=O)[O-])C(F)(F)F)Cl	P23443	O14965	4.609064892896621	5.0	0.3909351071033793	Different Group
[O14965, P23443]	c1cc(cc(c1)Br)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.950781977329818	6.721246399047171	1.229535578282647	Different Group
[O14965, P23443]	c1cc(cc(c1)Br)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.1732774798310075	5.8297382846050425	0.343539195225965	Different Group
[O14965, P23443]	c1cc(cc(c1)C(=O)N)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.31695296176115	7.886056647693163	0.5691036859320127	Different Group
[O14965, P23443]	c1cc(cc(c1)C(=O)N)c2cc3c(c(c2)C(=O)N)ncnc3NC4CCCNC4	P23443	O14965	5.0	6.130768280269024	1.1307682802690238	Different Group
[O14965, P23443]	c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccc(cc2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.882728704344236	6.6777807052660805	0.7950520009218449	Different Group
[O14965, P23443]	c1cc(cc(c1)C(F)(F)F)CNc2c3cc(cc(c3ncn2)C(=O)N)N	P23443	O14965	6.430626090384954	5.920818753952375	0.509807336432579	Different Group
[O14965, P23443]	c1cc(cc(c1)C(F)(F)F)CNc2c3cc(cc(c3ncn2)C(=O)N)[N+](=O)[O-]	P23443	O14965	4.774690718274138	5.229147988357856	0.4544572700837186	Different Group
[O14965, P23443]	c1cc(cc(c1)C(F)(F)F)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.780089006787998	6.236572006437063	1.5435170003509349	Different Group
[O14965, P23443]	c1cc(cc(c1)C(F)(F)F)CNc2ccnc3c2cccc3C(=O)N	P23443	O14965	6.87942606879415	8.4089353929735	1.52950932417935	Different Group
[O14965, P23443]	c1cc(cc(c1)F)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.301029995663981	6.552841968657781	2.7481880270062007	Different Group
[O14965, P23443]	c1cc(cc(c1)F)CNc2c3c(ccc(c3ncn2)C(=O)N)OCCN	P23443	O14965	7.0	6.0	1.0	Different Group
[O14965, P23443]	c1cc(cc(c1)F)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.5003129173815966	6.119186407719209	1.381126509662388	Different Group
[O14965, P23443]	c1cc(cc(c1)N)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.607303046740334	5.7447274948966935	0.8625755518436407	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)C2=C(C=CCC2F)F)C(CCN3CCCC3)NC4=NC=NC=CCCC=C4	P23443	O14965	7.481486060122113	8.443697499232712	0.9622114391105994	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)C2=CC(C(C=C2)Cl)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.823908740944319	9.455931955649724	1.6320232147054057	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Cc2ccc(cc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.037630664329979	8.075720713938118	1.0380900496081393	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)N2CCCCC2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.7594507517174005	8.075720713938118	1.3162699622207175	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)N2CCOCC2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.920818753952375	5.455931955649724	0.46488679830265056	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)NCCN2CCOCC2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.077793722560983	5.769551078621726	0.3082426439392574	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.826813731587726	6.142667503568732	0.684146228018994	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2ccc(cc2)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.701146923590294	5.309803919971486	1.3913430036188075	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.721246399047171	5.107905397309519	1.613341001737652	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.8696662315049934	6.0	0.8696662315049934	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.252588192113577	8.958607314841775	1.7060191227281978	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)Nc2cccc(c2)OCCN3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.055517327849832	8.113509274827518	1.057991946977686	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2c(cccc2F)F)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.568636235841013	8.508638306165727	0.9400020703247138	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.346787486224656	9.468521082957745	1.1217335967330886	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cc(cnc2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.721246399047171	8.356547323513812	0.635300924466641	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cc(n[nH]2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.42021640338319	9.657577319177793	2.2373609157946035	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)C(F)(F)F)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.6777807052660805	8.853871964321762	2.1760912590556813	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.619788758288394	9.537602002101044	1.9178132438126507	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)F)F)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.468521082957745	9.214670164989233	1.7461490820314882	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)F)F)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.1249387366083	8.853871964321762	1.728933227713462	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(c(c2)F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.835647144215563	8.958607314841775	1.1229601706262118	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.795880017344075	9.236572006437063	1.4406919890929881	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	P23443	O14965	7.6777807052660805	9.0	1.3222192947339195	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.142667503568732	9.3767507096021	2.2340832060333673	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)Br)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.045757490560675	9.187086643357144	1.1413291527964695	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)CN3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.102372908709558	8.130768280269024	1.0283953715594656	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)F)C(CN)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.872363747448347	8.920818753952375	0.04845500650402812	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.844663962534939	6.236572006437063	1.6080919560978755	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)OC(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.954677021213342	5.721246399047171	1.2334306221661713	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2)SC(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.910094888560602	9.4089353929735	2.4988405044128985	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2Cl)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.397940008672037	9.920818753952375	1.5228787452803374	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)C(F)(F)F)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.508638306165727	8.214670164989233	0.7060318588235059	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)F)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.886056647693163	8.4089353929735	0.5228787452803374	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)F)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.5376020021010435	8.096910013008056	0.5593080109070128	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(cc2F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	8.455931955649724	9.795880017344075	1.3399480616943507	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(nc2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.939302159646388	9.187086643357144	1.2477844837107561	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(nc2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.481486060122113	9.397940008672037	2.9164539485499246	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc(nc2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.040958607678906	9.318758762624412	2.2778001549455063	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)CCO3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.568636235841013	9.638272163982407	2.069635928141394	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccc3c(c2)OCO3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	8.013228265733755	9.292429823902063	1.2792015581683085	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.512861624522814	5.920818753952375	1.592042870570439	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cccc(c2)CN3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.335358024443875	6.698970004336019	0.636388020107856	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cccc(c2)OCCCO)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.585026652029182	8.568636235841012	0.9836095838118304	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cccc(c2)OCCO)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.5376020021010435	8.301029995663981	0.7634279935629378	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cccc(n2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.701146923590294	8.301029995663981	1.5998830720736876	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)Cl)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.6020599913279625	7.5376020021010435	0.06445798922691903	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCC3)CNc4c5cc(cc(c5ncn4)C(=O)N)O	P23443	O14965	7.376750709602099	8.638272163982407	1.2615214543803077	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCC3)CNc4c5cc(cc(c5ncn4)C(=O)N)OCCN6CCOCC6	P23443	O14965	6.0	7.920818753952375	1.920818753952375	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.6777807052660805	8.744727494896694	1.066946789630613	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCCCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.3872161432802645	9.050609993355087	1.6633938500748222	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)N3CCOCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.619788758288394	8.958607314841775	1.338818556553381	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2ccnc(c2)NCCO)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.187086643357144	8.356547323513812	1.1694606801566678	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2cnn3c2CNCC3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.761953896871205	8.045757490560675	1.2838035936894698	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(=O)c2csc(n2)N)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.119186407719209	7.920818753952375	0.8016323462331663	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(c2cc(ccc2F)C(F)(F)F)O)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.769551078621726	9.769551078621726	2.0	Different Group
[O14965, P23443]	c1cc(cc(c1)NC(c2ccc(cc2)Br)O)C(CO)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.0	7.214670164989233	0.21467016498923286	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2c3c(nc[nH]3)ncn2)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.619788758288394	8.154901959985743	1.5351132016973494	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)C4CCCNC4	P23443	O14965	5.795880017344075	7.3979400086720375	1.6020599913279625	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2c3cccc(c3ncn2)C(=O)N)CNC(=O)c4ccc(cc4)C(F)(F)F	P23443	O14965	6.795880017344075	8.3767507096021	1.5808706922580242	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2cc(ccn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.180456064458132	8.638272163982407	2.4578160995242753	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2ccc(cn2)CC#N)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.552841968657781	9.0	2.4471580313422194	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2ncc(s2)CN)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.0	9.657577319177793	3.6575773191777934	Different Group
[O14965, P23443]	c1cc(cc(c1)Nc2ncccn2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.301029995663981	7.958607314841775	1.6575773191777934	Different Group
[O14965, P23443]	c1cc(cc(c1)O)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.614393726401688	5.721246399047171	1.8931473273545167	Different Group
[O14965, P23443]	c1cc(cc(c1)OCCN(CCO)CCO)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.920818753952375	7.236572006437063	1.3157532524846882	Different Group
[O14965, P23443]	c1cc(cc(c1)OCCN2CCOCC2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.230622673923862	5.886056647693163	0.6554339737693011	Different Group
[O14965, P23443]	c1cc(cc(c1)[N+](=O)[O-])C(CCO)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.468521082957745	6.2839966563652006	1.184524426592544	Different Group
[O14965, P23443]	c1cc(ccc1C(=O)Nc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl)S(=O)(=O)F	P23443	O14965	5.350665141287858	6.958607314841775	1.6079421735539166	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)O)C(F)(F)F	P23443	O14965	7.636388020107856	9.494850021680094	1.8584620015722377	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN)C(F)(F)F	P23443	O14965	6.705533773838407	5.119186407719209	1.586347366119198	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCC(C4)O)C(F)(F)F	P23443	O14965	6.728158393463501	5.886056647693163	0.8421017457703384	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCCC4CO)C(F)(F)F	P23443	O14965	6.690369832574102	8.173925197299173	1.4835553647250714	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCCCC4)C(F)(F)F	P23443	O14965	6.896196279044043	9.744727494896694	2.848531215852651	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCN(CC4)CCO)C(F)(F)F	P23443	O14965	6.841637507904751	8.468521082957745	1.626883575052994	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCN4CCOCC4)C(F)(F)F	P23443	O14965	6.6020599913279625	7.055517327849832	0.45345733652186926	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCCNCCO)C(F)(F)F	P23443	O14965	7.221125527997261	8.236572006437063	1.0154464784398023	Different Group
[O14965, P23443]	c1cc(ccc1CNc2c3cc(cc(c3ncn2)C(=O)N)OCCN4CCOCC4)C(F)(F)F	P23443	O14965	6.266802734893431	6.443697499232713	0.17689476433928242	Different Group
[O14965, P23443]	c1cc(sc1)CC(=O)Nc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl	P23443	O14965	5.600326278518962	5.136677139879544	0.4636491386394175	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncc(c2NC3CCCNC3)C(=O)O	P23443	O14965	6.661543506395395	5.886056647693163	0.7754868587022319	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2N3CCC(CC3)(CN)c4ccc(cc4)OC(F)(F)F	P23443	O14965	4.673664139071248	5.259637310505756	0.5859731714345076	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2N3CCOCC3	P23443	O14965	5.137868620686963	5.130768280269024	0.007100340417939499	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2N3CCc4ccc(cc4C3)[N+](=O)[O-]	P23443	O14965	7.481486060122113	6.161150909262744	1.3203351508593686	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NC(CN)c3ccc(c(c3)Cl)Cl	P23443	O14965	9.301029995663981	6.366531544420414	2.9344984512435675	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NC3CCCNC3	P23443	O14965	7.260021696050807	5.2768090938887795	1.9832126021620278	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NC3CCNCC3	P23443	O14965	5.406713932979542	5.0	0.4067139329795424	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCC(c3ccc(c(c3)C(F)(F)F)Cl)N	P23443	O14965	7.536107011014093	6.0	1.536107011014093	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3=CC(=CCC3)Cl	P23443	O14965	7.619788758288394	6.853871964321762	0.7659167939666318	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CC(=CC=C3)NC=O	P23443	O14965	7.376750709602099	9.309803919971486	1.933053210369387	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CCCO3	P23443	O14965	5.3655227298392685	5.236572006437063	0.12895072340220537	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCC3CCNCC3	P23443	O14965	5.58838029403677	6.0	0.41161970596323005	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(c(c(c3)F)F)F	P23443	O14965	7.0	5.795880017344075	1.204119982655925	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F	P23443	O14965	6.5718652059712115	5.823908740944319	0.7479564650268928	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(cc(c3)Cl)F	P23443	O14965	7.376750709602099	6.1249387366083	1.2518119729937993	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cc(cc(c3)F)F	P23443	O14965	7.035269078946371	9.065501548756432	2.030232469810061	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)C(F)(F)F)Cl	P23443	O14965	8.920818753952375	6.130768280269024	2.790050473683351	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)Cl)Cl	P23443	O14965	8.795880017344075	6.886056647693163	1.909823369650912	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)F)F	P23443	O14965	7.508638306165727	6.366531544420414	1.1421067617453131	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)Br)F	P23443	O14965	7.853871964321762	9.136677139879545	1.2828051755577832	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(c(c3)NC(=O)c4ccc(cc4)OC(F)(F)F)F	P23443	O14965	6.698970004336019	9.657577319177793	2.9586073148417746	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)Br	P23443	O14965	8.18045606445813	6.638272163982407	1.5421839004757238	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(=O)N	P23443	O14965	6.404503778174426	5.0	1.4045037781744263	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)C(F)(F)F	P23443	O14965	8.602059991327963	6.259637310505756	2.3424226808222066	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)F	P23443	O14965	7.3655227298392685	7.036212172654444	0.32931055718482405	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)N	P23443	O14965	6.6777807052660805	5.031517051446065	1.6462636538200153	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)NC(=O)c4cc(n[nH]4)C(F)(F)F	P23443	O14965	7.142667503568732	9.244125144327509	2.1014576407587766	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)NC(=O)c4ccc(cc4)F	P23443	O14965	5.777283528852417	5.769551078621726	0.007732450230690802	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3)O	P23443	O14965	7.114073660198569	6.236572006437063	0.8775016537615059	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc(cc3F)F	P23443	O14965	6.995678626217358	8.657577319177793	1.6618986929604356	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc4c(c3)CCO4	P23443	O14965	7.87942606879415	6.180456064458132	1.6989700043360187	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3ccc4c(c3)OCO4	P23443	O14965	7.565431095965801	9.431798275933005	1.8663671799672041	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2NCc3cccs3	P23443	O14965	6.838631997765025	5.585026652029182	1.253605345735843	Different Group
[O14965, P23443]	c1cc2c(c(c1)C(=O)N)ncnc2Nc3ccc(c(c3)Cl)F	P23443	O14965	5.458420756053419	5.221848749616356	0.2365720064370631	Different Group
[O14965, P23443]	c1cc2c(ccnc2c(c1)C(=O)N)NCc3ccc4c(c3)OCO4	P23443	O14965	6.151195298948196	5.2839966563652006	0.8671986425829958	Different Group
[O14965, P23443]	c1ccc(c(c1)C(F)(F)F)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.328827157284917	8.327902142064282	0.999074984779365	Different Group
[O14965, P23443]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)Br	P23443	O14965	6.610833915635467	5.823908740944319	0.7869251746911488	Different Group
[O14965, P23443]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)C(F)(F)F	P23443	O14965	6.328827157284917	8.09151498112135	1.7626878238364325	Different Group
[O14965, P23443]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)Cl	P23443	O14965	6.614393726401688	6.130768280269024	0.4836254461326641	Different Group
[O14965, P23443]	c1ccc(c(c1)CNc2c3cccc(c3ncn2)C(=O)N)F	P23443	O14965	6.995678626217358	6.0	0.9956786262173578	Different Group
[O14965, P23443]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)Cl	P23443	O14965	7.040958607678906	6.886056647693163	0.15490195998574308	Different Group
[O14965, P23443]	c1ccc(c(c1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N)F	P23443	O14965	7.106238237942057	6.508638306165727	0.5975999317763296	Different Group
[O14965, P23443]	c1ccc(cc1)C(=O)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.958607314841775	6.080921907623926	0.8776854072178484	Different Group
[O14965, P23443]	c1ccc(cc1)C(=O)NC2=CC(=CCC2)C(CCO)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.657577319177793	8.744727494896694	1.0871501757189002	Different Group
[O14965, P23443]	c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.181774106386045	6.229147988357856	0.04737388197181147	Different Group
[O14965, P23443]	c1ccc(cc1)C(=O)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5=CCCC(=c5ncn4)C(=O)N	P23443	O14965	7.031517051446065	7.920818753952375	0.8893017025063097	Different Group
[O14965, P23443]	c1ccc(cc1)C(C(=O)O)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.06949041765054	5.2839966563652006	0.21450623871466057	Different Group
[O14965, P23443]	c1ccc(cc1)C(CC#N)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.508638306165727	6.552841968657781	1.9557963375079463	Different Group
[O14965, P23443]	c1ccc(cc1)C(CCN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.060480747381382	6.958607314841775	1.1018734325396071	Different Group
[O14965, P23443]	c1ccc(cc1)C(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	9.221848749616356	6.508638306165727	2.7132104434506292	Different Group
[O14965, P23443]	c1ccc(cc1)C(CN2CCCC2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.075720713938118	6.161150909262744	0.9145698046753736	Different Group
[O14965, P23443]	c1ccc(cc1)C(CN=[N+]=N)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.339134521996131	6.346787486224656	0.9923470357714752	Different Group
[O14965, P23443]	c1ccc(cc1)C(CNC2CC2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.552841968657781	6.337242168318426	1.2155998003393549	Different Group
[O14965, P23443]	c1ccc(cc1)C(CNCCS)Nc2ccccc(cncn2)C(=O)N	P23443	O14965	7.795880017344075	6.481486060122113	1.314393957221962	Different Group
[O14965, P23443]	c1ccc(cc1)C(CNc2c3cccc(c3ncn2)C(=O)N)O	P23443	O14965	7.2020403562628035	6.309803919971486	0.8922364362913173	Different Group
[O14965, P23443]	c1ccc(cc1)C(Cn2ccnc2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.259637310505756	6.522878745280337	0.7367585652254185	Different Group
[O14965, P23443]	c1ccc(cc1)C(Cn2ccnn2)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.534617148551582	5.376750709602099	2.1578664389494824	Different Group
[O14965, P23443]	c1ccc(cc1)C(Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N)O	P23443	O14965	6.721246399047171	8.1249387366083	1.4036923375611288	Different Group
[O14965, P23443]	c1ccc(cc1)CC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.087777943467585	8.585026652029182	1.4972487085615969	Different Group
[O14965, P23443]	c1ccc(cc1)CC(CN)Nc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	8.022878745280337	7.093543321678572	0.9293354236017652	Different Group
[O14965, P23443]	c1ccc(cc1)CCC(=O)Nc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl	P23443	O14965	4.790484985457369	5.468521082957745	0.6780360975003754	Different Group
[O14965, P23443]	c1ccc(cc1)CNCCNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	6.047691990337875	7.5376020021010435	1.4899100117631683	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2c3cc(cc(c3ncn2)C(=O)N)N	P23443	O14965	5.494850021680094	6.853871964321762	1.359021942641668	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2c3cc(cc(c3ncn2)C(=O)N)NCc4[nH]ccn4	P23443	O14965	5.075720713938118	6.154901959985743	1.079181246047625	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2c3cc(cc(c3ncn2)C(=O)N)NCc4cccnc4	P23443	O14965	5.570247719997592	5.161150909262744	0.40909681073484805	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	7.211124884224583	5.366531544420414	1.8445933398041694	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl	P23443	O14965	5.782516055786093	5.920818753952375	0.1383026981662816	Different Group
[O14965, P23443]	c1ccc(cc1)CNc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccccc4	P23443	O14965	5.522878745280337	6.468521082957745	0.9456423376774072	Different Group
[O14965, P23443]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(cc4)C(F)(F)F	P23443	O14965	6.364516253185088	5.585026652029182	0.7794896011559063	Different Group
[O14965, P23443]	c1ccc(cc1)COc2cc3c(c(c2)C(=O)N)ncnc3NCc4cccc(c4)NC(=O)c5ccnc(c5)N6CCCC6	P23443	O14965	5.0	7.619788758288394	2.6197887582883936	Different Group
[O14965, P23443]	c1ccc(cc1)NC(=O)Nc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl	P23443	O14965	4.438898616350944	5.167491087293763	0.7285924709428198	Different Group
[O14965, P23443]	c1ccc(cc1)NC(=O)Nc2ccc(cc2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	4.732828271596986	6.3872161432802645	1.6543878716832783	Different Group
[O14965, P23443]	c1ccc(cc1)NC(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.818156412055227	8.795880017344075	1.9777236052888476	Different Group
[O14965, P23443]	c1ccc(cc1)NC(=O)c2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.882728704344236	5.040958607678906	1.8417700966653294	Different Group
[O14965, P23443]	c1ccc(cc1)Oc2ccc(cc2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.638272163982407	5.356547323513812	1.2817248404685948	Different Group
[O14965, P23443]	c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2)C(=O)N)ncnc3NCc4ccc(c(c4)C(F)(F)F)Cl	P23443	O14965	5.504455662453552	5.468521082957745	0.03593457949580703	Different Group
[O14965, P23443]	c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.54515513999149	5.376750709602099	1.1684044303893906	Different Group
[O14965, P23443]	c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.280668713016273	5.309803919971486	0.9708647930447869	Different Group
[O14965, P23443]	c1ccc2c(c1)CC(C2Nc3c4cccc(c4ncn3)C(=O)N)O	P23443	O14965	5.510041520575165	5.337242168318426	0.1727993522567397	Different Group
[O14965, P23443]	c1ccc2c(c1)CCC2Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.703334809738469	5.366531544420414	0.33680326531805527	Different Group
[O14965, P23443]	c1ccc2c(c1)CCCC2Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	5.895631561442797	5.449126463026817	0.4465050984159804	Different Group
[O14965, P23443]	c1ccc2c(c1)c(=O)n(c(=O)[nH]2)c3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.853871964321762	7.5376020021010435	0.6837300377792817	Different Group
[O14965, P23443]	c1ccc2c(c1)c(c[nH]2)C(=O)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	7.102372908709558	8.468521082957745	1.3661481742481865	Different Group
[O14965, P23443]	c1ccc2c(c1)ccc(n2)Nc3cccc(c3)CNc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.0	7.468521082957745	1.4685210829577446	Different Group
[O14965, P23443]	c1ccc2c(c1)cccc2CNc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	7.211124884224583	6.468521082957745	0.7426038012668386	Different Group
[O14965, P23443]	c1ccc2c(c1)ncc(n2)C(=O)Nc3cc4c(c(c3)C(=O)N)ncnc4NCc5ccc(c(c5)C(F)(F)F)Cl	P23443	O14965	4.655607726314889	5.0	0.34439227368511105	Different Group
[O14965, P23443]	c1ccnc(c1)CNc2c3cccc(c3ncn2)C(=O)N	P23443	O14965	5.610833915635467	5.0	0.6108339156354674	Different Group
[O14965, P23443]	c1ccnc(c1)COc2ccc(cc2Cl)Nc3c4cccc(c4ncn3)C(=O)N	P23443	O14965	6.08196966321512	6.0	0.08196966321512011	Different Group
[O14965, P23443]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.167491087293763	7.5376020021010435	1.37011091480728	Different Group
[O14965, P23443]	c1ccnc(c1)Nc2cccc(c2)C(CCN3CCCCC3)Nc4c5cccc(c5ncn4)C(=O)N	P23443	O14965	6.1249387366083	7.823908740944319	1.6989700043360187	Different Group
[Q86V86, Q9P1W9]	C=C1CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F	Q9P1W9	Q86V86	8.0	8.397940008672037	0.3979400086720375	Same Family
[Q86V86, Q9P1W9]	CC(=O)Nc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.301029995663981	5.932557157223619	0.6315271615596378	Same Family
[Q86V86, Q9P1W9]	CC(=O)OC1CCC(CC1N)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.154901959985743	8.301029995663981	0.14612803567823818	Same Family
[Q86V86, Q9P1W9]	CC(=O)c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)CN4CCN(CC4)C	Q9P1W9	Q86V86	6.2076083105017466	6.6020599913279625	0.39445168082621596	Same Family
[Q86V86, Q9P1W9]	CC(C)(C)OC(=O)NC1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	4.823908740944319	5.494850021680094	0.6709412807357751	Same Family
[Q86V86, Q9P1W9]	CC(C)NC(=O)c1ccc(c(c1)c2nc(cs2)C(=O)Nc3cnccc3N4CCCC(C4)N)F	Q9P1W9	Q86V86	7.076755981369724	8.080921907623926	1.0041659262542026	Same Family
[Q86V86, Q9P1W9]	CC(C)Oc1cnc(cn1)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	Q9P1W9	Q86V86	5.889410289700751	6.732828271596986	0.8434179818962351	Same Family
[Q86V86, Q9P1W9]	CC(C)c1ccccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	5.301029995663981	6.0915149811213505	0.7904849854573692	Same Family
[Q86V86, Q9P1W9]	CC(c1[nH]c(=O)c2c(n1)c3cc(ccc3o2)Br)N4CCN(CC4)C	Q9P1W9	Q86V86	6.298432014944073	7.455931955649724	1.1574999407056517	Same Family
[Q86V86, Q9P1W9]	CC1(CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)O)F)F)C	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1(CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F)C	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1(CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F)C	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1(CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccc(cc4F)O)F)C	Q9P1W9	Q86V86	7.920818753952375	8.221848749616356	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1(CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F)C	Q9P1W9	Q86V86	7.795880017344075	8.522878745280337	0.7269987279362624	Same Family
[Q86V86, Q9P1W9]	CC1(CCNCC1Oc2cncc(n2)c3c4cc(ccc4[nH]n3)c5c(cccc5F)F)C	Q9P1W9	Q86V86	7.795880017344075	8.522878745280337	0.7269987279362624	Same Family
[Q86V86, Q9P1W9]	CC1CC(C=C(C1)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cccc4F)F)N)O	Q9P1W9	Q86V86	8.221848749616356	8.397940008672037	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(C=C(C1)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F)O	Q9P1W9	Q86V86	7.698970004336019	8.154901959985743	0.45593195564972433	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	8.548455006504028	8.577450979992872	0.02899597348884342	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cc(cc4F)O)F)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)O)F	Q9P1W9	Q86V86	8.221848749616356	8.698970004336019	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccc(cc4F)O)F	Q9P1W9	Q86V86	7.552841968657781	7.920818753952375	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)C4CCC(CC4)O)F	Q9P1W9	Q86V86	7.771816983435478	7.5713337517843655	0.2004832316511127	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)C4CCCCC4)F	Q9P1W9	Q86V86	7.920818753952375	7.6777807052660805	0.24303804868629442	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)O)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(ccc(c4F)F)F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(ccc(c4F)O)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cc(ccc4F)F)F	Q9P1W9	Q86V86	8.221848749616356	8.397940008672037	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cc(ccc4F)O)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cc(ccc4F)OC)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccc(cc4F)F)F	Q9P1W9	Q86V86	7.886056647693163	8.522878745280337	0.6368220975871743	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccc(cc4F)O)F	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cccc(c4F)F)F	Q9P1W9	Q86V86	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccccc4F)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3cccc(n3)c4c(cc(cc4F)O)F	Q9P1W9	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3cccc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3cccc(n3)c4cc(ccc4F)O	Q9P1W9	Q86V86	8.221848749616356	8.522878745280337	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3cccc(n3)c4ccc(cc4F)O	Q9P1W9	Q86V86	8.154901959985743	8.301029995663981	0.14612803567823818	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3cccc(n3)c4ccccc4F	Q9P1W9	Q86V86	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)C4CCCCC4	Q9P1W9	Q86V86	7.013228265733755	6.962573502059376	0.0506547636743786	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(cc(cc4F)O)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(ccc(c4F)Cl)F	Q9P1W9	Q86V86	7.920818753952375	8.522878745280337	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(ccc(c4F)F)F	Q9P1W9	Q86V86	7.823908740944319	8.301029995663981	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(ccc(c4F)OC(C)C)F	Q9P1W9	Q86V86	7.698970004336019	8.522878745280337	0.8239087409443187	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(ccc(c4F)OC)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)O)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.301029995663981	8.397940008672037	0.09691001300805624	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)O)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.7447274948966935	8.221848749616356	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1)O)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.045757490560675	8.096910013008056	1.0511525224473814	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1=NO)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.166852888087215	7.958607314841775	0.20824557324544024	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1=NOC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.055468542498902	8.048414837979927	0.007053704518975579	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1=O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.477425367308824	7.708631149548418	0.2312057822395941	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1C#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.527695503005054	7.468898318693299	0.0587971843117554	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1F)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.301029995663981	8.397940008672037	0.09691001300805624	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1F)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.327902142064283	7.7447274948966935	0.4168253528324106	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)C(C)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.3060972589339395	7.515273195701338	0.20917593676739887	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)COC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.521866571899483	7.8035474582966105	0.28168088639712785	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC(C)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.226432951073941	7.7500682433658055	0.5236352922918641	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	8.667561540084394	8.598599459218455	0.0689620808659388	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.284832642151542	7.737786294523583	0.5470463476279592	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	8.216811308924742	7.900664722314042	0.3161465866106994	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	7.629486910401408	7.606600304706898	0.0228866056945094	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)O)F)F	Q9P1W9	Q86V86	7.82564940252062	7.597738617545319	0.22791078497530037	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5COC5)F)F	Q9P1W9	Q86V86	7.426780172885578	7.525055664534612	0.09827549164903449	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC(C)C)F)F	Q9P1W9	Q86V86	8.051587034221399	8.098541678603887	0.0469546443824882	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	7.565750547603525	8.012780770091995	0.44703022248847013	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	7.858863909879261	8.006123085058789	0.1472591751795278	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OCCOC)F)F	Q9P1W9	Q86V86	7.61261017366127	7.776504059037605	0.16389388537633476	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	8.227965977824862	8.159379381312206	0.06858659651265597	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3c(ccc(n3)C4CCCCC4)N	Q9P1W9	Q86V86	8.0	7.920818753952375	0.07918124604762511	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.274636246981439	8.22592690175536	0.04870934522607939	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)C4CCCCC4)F	Q9P1W9	Q86V86	7.6777807052660805	7.5376020021010435	0.140178703165037	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)O)F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(ccc(c4F)OC)F)F	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cc(ccc4F)C(F)(F)F)F	Q9P1W9	Q86V86	7.167491087293763	7.769551078621726	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cc(ccc4F)O)F	Q9P1W9	Q86V86	7.698970004336019	8.045757490560675	0.34678748622465605	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cccc(c4F)C(F)(F)F)F	Q9P1W9	Q86V86	6.882728704344236	7.568636235841013	0.6859075314967775	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccccc4F)F	Q9P1W9	Q86V86	8.096910013008056	8.522878745280337	0.42596873227228116	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3cccc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.452939202079719	7.9604093769761874	0.5074701748964685	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)O)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.0	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1O)O)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.784318117920506	8.460409376976187	0.6760912590556813	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.045757490560675	9.050609993355087	0.004852502794411961	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.59176003468815	8.10902040301031	0.4827396316778394	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3c(cnc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.280341549491748	8.178775654273405	0.10156589521834292	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	9.06971122437779	9.446395015176066	0.37668379079827474	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C(C)(C)O)F)F	Q9P1W9	Q86V86	8.876148359032914	8.657577319177793	0.21857103985512083	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C(C)C)F)F	Q9P1W9	Q86V86	8.860120913598763	8.844663962534938	0.015456951063825386	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	8.839055861208852	8.694861603541174	0.14419425766767802	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	8.659759721879018	8.320407749394352	0.33935197248466586	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)O)F)F	Q9P1W9	Q86V86	8.8153085691824	8.508638306165727	0.30667026301667377	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5CCOCC5)F)F	Q9P1W9	Q86V86	8.96657624451305	8.903089986991944	0.06348625752110593	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5CCS(=O)(=O)CC5)F)F	Q9P1W9	Q86V86	8.628932137728263	8.554395796726402	0.07453634100186157	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC(C)C)F)F	Q9P1W9	Q86V86	8.811903206557858	8.949556372573204	0.13765316601534572	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	8.51999305704285	8.66354026615147	0.14354720910862007	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	8.987162775294827	9.031517051446064	0.044354276151237215	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OCCOC)F)F	Q9P1W9	Q86V86	8.414423567592685	8.710245390644847	0.29582182305216165	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3ccnc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.1604591070310315	7.446238301609996	0.2857791945789643	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OC)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.711982072861806	8.131736016986173	0.4197539441243663	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.397940008672037	9.443697499232712	0.045757490560674796	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	9.130768280269024	8.85078088734462	0.27998739292440433	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	8.6903698325741	9.045757490560675	0.355387657986574	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	9.130768280269024	8.838631997765026	0.29213628250399815	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	8.94692155651658	9.022276394711152	0.07535483819457234	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	8.511449283499555	9.1249387366083	0.6134894531087447	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCC(=O)O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	6.538936886296449	6.6517925233143735	0.11285563701792434	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.327902142064282	9.4089353929735	0.08103325090921842	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.91721462968355	8.386158178123932	0.5310564515596177	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	9.10790539730952	9.585026652029182	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	8.906578314837764	8.809668301829708	0.09691001300805624	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	8.60906489289662	8.26440110030182	0.34466379259480107	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)O)F)F	Q9P1W9	Q86V86	8.906578314837764	8.7594507517174	0.1471275631203639	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC(C)C)F)F	Q9P1W9	Q86V86	8.931814138253838	8.906578314837764	0.025235823416073444	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	8.730487055782083	8.910094888560602	0.17960783277851888	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	8.570247719997592	8.872895201635192	0.30264748163759947	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OCCOC)F)F	Q9P1W9	Q86V86	8.595166283380062	8.769551078621726	0.1743847952416644	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OCCS(=O)(=O)C)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	7.542723813938674	7.978810700930062	0.4360868869913874	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OP(=O)(C)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.42582683962366	7.510282223629012	0.08445538400535213	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1OS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	7.799152257444694	8.057991946977687	0.2588396895329925	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.79317412396815	7.951946826884391	0.8412272970837593	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.605548319173783	8.84163750790475	0.23608918873096663	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	8.630784142589857	8.23582386760967	0.39496027498018726	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	7.983802646487561	7.746904414150968	0.23689823233659268	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)O)F)F	Q9P1W9	Q86V86	8.226945306635738	7.981715691573469	0.2452296150622688	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	8.132532512140948	8.381951903287908	0.24941939114695977	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	8.114073660198569	8.266000713461613	0.15192705326304434	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OCCOC)F)F	Q9P1W9	Q86V86	8.042392712939904	8.279840696594043	0.237447983654139	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3ccnc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	6.869023308394383	6.703510317714954	0.16551299067942882	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)C)N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	6.833895655158384	7.170567566382402	0.33667191122401796	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)CCO)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.448550002027124	8.684029654543082	0.23547965251595748	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1S(=O)(=O)CCOC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.175223537524454	8.168770306132936	0.006453231391517988	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2cc(nn2)C(=C)C)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.554395796726402	8.692503962086787	0.13810816536038573	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2cc(nn2)C3CC3)N)c4ccncc4NC(=O)c5ccc(c(n5)c6c(cccc6F)F)F	Q9P1W9	Q86V86	8.39254497678533	8.542118103266008	0.14957312648067678	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccccc2=O)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	5.167491087293763	5.337242168318426	0.1697510810246623	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(cc(c(n4)c5c(cccc5F)F)F)N	Q9P1W9	Q86V86	9.113509274827518	9.075720713938118	0.03778856088939975	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(ccc(n4)c5cc(ccc5F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.585026652029182	8.161150909262744	0.42387574276643747	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(sc(n4)c5c(cccc5F)F)N	Q9P1W9	Q86V86	8.98296666070122	9.130768280269024	0.14780161956780447	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)C6(CCC6)O)F)F	Q9P1W9	Q86V86	8.772113295386326	8.5654310959658	0.20668219942052524	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)C6(CCOCC6)F)F)F	Q9P1W9	Q86V86	7.862013267276469	7.846795099915716	0.015218167360752766	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)C6(CCOCC6)O)F)F	Q9P1W9	Q86V86	8.496209316942819	8.287350298372788	0.2088590185700312	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)OC)F)F	Q9P1W9	Q86V86	8.354577730650908	8.67778070526608	0.3232029746151728	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)OC6CCOCC6)F)F	Q9P1W9	Q86V86	7.99225222199926	8.600326278518962	0.6080740565197011	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)OCCOC)F)F	Q9P1W9	Q86V86	8.556768738341777	8.838270816575266	0.2815020782334887	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.596879478824182	8.598599459218455	0.0017199803942737901	Same Family
[Q86V86, Q9P1W9]	CC1CC(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4csc(n4)c5c(cccc5F)F	Q9P1W9	Q86V86	7.182699121606679	7.6522797829659615	0.46958066135928256	Same Family
[Q86V86, Q9P1W9]	CC1CC(CN(C1)c2ccncc2NC(=O)c3csc(n3)C4CCCCC4)N	Q9P1W9	Q86V86	7.7447274948966935	7.795880017344075	0.05115252244738144	Same Family
[Q86V86, Q9P1W9]	CC1CC(CN(C1)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.548455006504028	8.5	0.04845500650402812	Same Family
[Q86V86, Q9P1W9]	CC1CCN(CC1N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.096910013008056	8.301029995663981	0.20411998265592501	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1C#N)N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.329754146925875	8.7594507517174	0.42969660479152516	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1C#N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.1890957193313	8.243363891754152	0.054268172422851535	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1N(C)C(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	5.552841968657781	5.958607314841775	0.40576534618399407	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1N(C)C(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.97061622231479	9.309803919971486	0.3391876976566959	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	9.065501548756432	9.00436480540245	0.061136743353982226	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1N=[N+]=N)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	9.130768280269024	9.167491087293763	0.03672280702473962	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.115771230367397	9.036212172654444	0.9204409422870476	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.187086643357144	9.387216143280265	0.20012949992312024	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3c(ccc(n3)c4cc(ccc4F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.661543506395395	8.515700160653214	0.14584334574218083	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	9.080921907623926	9.366531544420413	0.28560963679648665	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCC5)O)F)F	Q9P1W9	Q86V86	9.09151498112135	8.87942606879415	0.21208891232720006	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)F)F)F	Q9P1W9	Q86V86	8.55129368009492	8.448550002027124	0.10274367806779594	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)C5(CCOCC5)O)F)F	Q9P1W9	Q86V86	8.723538195826755	8.528708288941061	0.19482990688569402	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC(C)C)F)F	Q9P1W9	Q86V86	9.102372908709558	9.259637310505756	0.15726440179619772	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC)F)F	Q9P1W9	Q86V86	8.573488738635424	8.87942606879415	0.3059373301587254	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OC5CCOCC5)F)F	Q9P1W9	Q86V86	8.962573502059376	9.1249387366083	0.1623652345489237	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)OCCOC)F)F	Q9P1W9	Q86V86	8.42712839779952	8.79317412396815	0.36604572616863074	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NC(=O)OC)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	9.050609993355087	9.130768280269024	0.080158286913937	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1NS(=O)(=O)C)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.586700235918748	8.493494967595128	0.09320526832362042	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3c(cc(c(n3)c4c(cccc4F)F)F)N	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	8.698970004336019	9.0	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3c(ccc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.096910013008056	8.397940008672037	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)C4CCCCC4)F	Q9P1W9	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cc(cc4F)O)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccccc4F)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4cccnc4)F	Q9P1W9	Q86V86	7.5376020021010435	8.045757490560675	0.5081554884596313	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccncc4)F	Q9P1W9	Q86V86	7.7447274948966935	8.154901959985743	0.41017446508904953	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4ccncc4F)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3cccc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)N)c2ccncc2NC(=O)c3cccc(n3)c4ccccc4F	Q9P1W9	Q86V86	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)O)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)O)c2ccncc2NC(=O)c3ccc(c(n3)c4ccccc4F)F	Q9P1W9	Q86V86	8.522878745280337	9.0	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1O)O)c2ccncc2NC(=O)c3cccc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	8.698970004336019	9.0	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2cc(nn2)CO)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.928117992693874	9.136677139879545	0.20855914718567092	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2cc(nn2)COC)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.76447155309245	8.991399828238082	0.22692827514563163	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2cc(nn2)c3ccsc3)N)c4ccncc4NC(=O)c5ccc(c(n5)c6c(cccc6F)F)F	Q9P1W9	Q86V86	8.368556230986828	8.812479279163536	0.4439230481767087	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(cc(c(n4)c5c(cccc5F)F)F)N	Q9P1W9	Q86V86	8.812479279163536	8.931814138253838	0.11933485909030139	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(ccc(n4)c5cc(ccc5F)C(=O)NC(C)C)N	Q9P1W9	Q86V86	8.288192770958808	8.679853713888946	0.3916609429301374	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4c(sc(n4)c5c(cccc5F)F)N	Q9P1W9	Q86V86	9.113509274827518	9.096910013008056	0.016599261819461475	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)C6(CCOCC6)F)F)F	Q9P1W9	Q86V86	8.6903698325741	8.661543506395395	0.02882632617870584	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)C6(CCOCC6)O)F)F	Q9P1W9	Q86V86	8.721246399047171	8.653647025549361	0.06759937349780998	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)OC(C)C)F)F	Q9P1W9	Q86V86	8.772113295386326	8.987162775294827	0.21504947990850098	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cc(cc5F)OC)F)F	Q9P1W9	Q86V86	8.747146969020108	9.207608310501746	0.4604613414816381	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.906578314837764	9.193820026016112	0.28724171117834807	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2ccnn2)N)c3ccncc3NC(=O)c4csc(n4)c5c(cccc5F)F	Q9P1W9	Q86V86	8.593459819566045	8.826813731587725	0.23335391202168054	Same Family
[Q86V86, Q9P1W9]	CC1CN(CC(C1n2cncn2)N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F	Q9P1W9	Q86V86	8.821023052706831	9.207608310501746	0.3865852577949145	Same Family
[Q86V86, Q9P1W9]	CCC1CC(CN(C1)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[Q86V86, Q9P1W9]	CCCOc1ccc(c(c1)c2c(cc(c(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)N)F)F	Q9P1W9	Q86V86	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	CCCOc1ccc(c(c1)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F)F	Q9P1W9	Q86V86	7.119186407719209	8.301029995663981	1.1818435879447726	Same Family
[Q86V86, Q9P1W9]	CCCOc1ccc(c(c1)c2ccc(c(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)N)F	Q9P1W9	Q86V86	8.096910013008056	8.397940008672037	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	CCCOc1ccc(c(c1)c2cccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	6.787812395596042	8.154901959985743	1.3670895643897012	Same Family
[Q86V86, Q9P1W9]	CCN(CC)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.036212172654444	7.519993057042849	1.4837808843884046	Same Family
[Q86V86, Q9P1W9]	CCN(CC)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.180456064458132	7.254144804826271	1.073688740368139	Same Family
[Q86V86, Q9P1W9]	CCN(CC)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.508638306165727	8.00436480540245	1.4957264992367225	Same Family
[Q86V86, Q9P1W9]	CCN(CC)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.229147988357856	7.522878745280337	1.2937307569224812	Same Family
[Q86V86, Q9P1W9]	CCOC(=O)NC1C(CC(CC1N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F)C	Q9P1W9	Q86V86	7.688246138944246	7.846795099915716	0.1585489609714701	Same Family
[Q86V86, Q9P1W9]	CCOC1C(CC(CC1N)c2ccncc2NC(=O)c3c(sc(n3)c4c(cccc4F)F)N)C	Q9P1W9	Q86V86	8.769551078621726	9.267606240177031	0.49805516155530505	Same Family
[Q86V86, Q9P1W9]	CCOC1CC(CN(C1)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	7.070581074285707	7.0655015487564325	0.005079525529274598	Same Family
[Q86V86, Q9P1W9]	CCOC1CC(CN(C1)c2ccncc2Nc3cccc4c3nc(nc4)c5c(cccc5F)F)N	Q9P1W9	Q86V86	6.337242168318426	5.6777807052660805	0.6594614630523452	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)NC(=O)OC)C)F)F	Q9P1W9	Q86V86	7.7920964696139485	7.706195640080663	0.08590082953328526	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)OC)C)F)F	Q9P1W9	Q86V86	8.657084362686968	8.516045910547788	0.14103845213917943	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)OCCS(=O)(=O)C)C)F)F	Q9P1W9	Q86V86	8.747146969020108	8.621602099051863	0.12554486996824465	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)S(=O)(=O)C)C)F)F	Q9P1W9	Q86V86	8.23807216157947	7.91721462968355	0.32085753189592037	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)n5ccnn5)C)F)F	Q9P1W9	Q86V86	8.657577319177793	8.317854923626168	0.3397223955516253	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)NC(=O)OC)C)F)F	Q9P1W9	Q86V86	8.777283528852417	8.818156412055227	0.040872883202810684	Same Family
[Q86V86, Q9P1W9]	CCOCc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)n5ccnn5)C)F)F	Q9P1W9	Q86V86	8.920818753952375	8.823908740944319	0.09691001300805624	Same Family
[Q86V86, Q9P1W9]	CCOc1cc(ccc1O)C=C2C(=O)NC(=O)S2	Q9P1W9	Q86V86	6.795880017344075	6.4089353929735005	0.38694462437057453	Same Family
[Q86V86, Q9P1W9]	CCOc1ccc(c(c1F)c2nc(cs2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C)F	Q9P1W9	Q86V86	8.045757490560675	8.522878745280337	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	CCOc1cccc(c1N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	6.795880017344075	8.221848749616356	1.4259687322722812	Same Family
[Q86V86, Q9P1W9]	CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.130768280269024	7.293282217663242	1.162513937394218	Same Family
[Q86V86, Q9P1W9]	CCc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)O)C)F	Q9P1W9	Q86V86	7.727346441767088	8.261439372640169	0.5340929308730811	Same Family
[Q86V86, Q9P1W9]	CCc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C)F	Q9P1W9	Q86V86	7.886056647693163	8.221848749616356	0.3357921019231931	Same Family
[Q86V86, Q9P1W9]	CCc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	7.2076083105017466	8.154901959985743	0.9472936494839965	Same Family
[Q86V86, Q9P1W9]	CCc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	7.267606240177032	8.154901959985743	0.8872957198087112	Same Family
[Q86V86, Q9P1W9]	CN(C)C1CCN(C1)c2ccccc2C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	6.301029995663981	6.958607314841775	0.6575773191777934	Same Family
[Q86V86, Q9P1W9]	CN(C)CCCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.200659450546418	7.504455662453552	1.3037962119071338	Same Family
[Q86V86, Q9P1W9]	CN(C)CCCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.267606240177032	7.688246138944246	1.420639898767214	Same Family
[Q86V86, Q9P1W9]	CN(C)CCN(C)c1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.7447274948966935	8.10790539730952	1.3631779024128257	Same Family
[Q86V86, Q9P1W9]	CN(C)CCNc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.958607314841775	8.187086643357144	1.2284793285153697	Same Family
[Q86V86, Q9P1W9]	CN(C)CCOc1cncc(n1)c2ccc3c(c2)c(c[nH]3)c4ccnc(n4)N	Q9P1W9	Q86V86	6.42021640338319	7.663540266151471	1.243323862768281	Same Family
[Q86V86, Q9P1W9]	CN1CC2CC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	Q9P1W9	Q86V86	6.958607314841775	8.045757490560675	1.0871501757189002	Same Family
[Q86V86, Q9P1W9]	CN1CC2CCC1CN2Cc3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	Q9P1W9	Q86V86	6.790484985457369	7.7447274948966935	0.9542425094393243	Same Family
[Q86V86, Q9P1W9]	CN1CCCC(C1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	6.272458742971444	7.508638306165727	1.2361795631942831	Same Family
[Q86V86, Q9P1W9]	CN1CCN(CC1)CC(C2CCCCC2)NC(=O)CC3CNC(=O)c4n3cc(c4)c5cccc(c5)Cl	Q9P1W9	Q86V86	7.136677139879544	7.920818753952375	0.7841416140728308	Same Family
[Q86V86, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	6.705533773838407	7.958607314841775	1.253073541003368	Same Family
[Q86V86, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5	Q9P1W9	Q86V86	6.075720713938118	6.795880017344075	0.720159303405957	Same Family
[Q86V86, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl	Q9P1W9	Q86V86	6.318758762624412	7.468521082957745	1.1497623203333323	Same Family
[Q86V86, Q9P1W9]	CN1CCN(CC1)Cc2[nH]c(=O)c3c(n2)c4cc(ccc4o3)I	Q9P1W9	Q86V86	6.853871964321762	7.958607314841775	1.1047353505200128	Same Family
[Q86V86, Q9P1W9]	CNc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.301029995663981	5.9051796196452	0.6041496239812192	Same Family
[Q86V86, Q9P1W9]	CNc1nnc(s1)c2ccc3c(c2)c(c[nH]3)c4cc5ccccc5nc4	Q9P1W9	Q86V86	5.787812395596042	6.7423214251308154	0.9545090295347736	Same Family
[Q86V86, Q9P1W9]	COC1CC(CN(C1)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F)N	Q9P1W9	Q86V86	6.8798751842406	7.33889035263304	0.4590151683924404	Same Family
[Q86V86, Q9P1W9]	COC1CCN(CC1N)c2ccncc2NC(=O)c3csc(n3)c4c(cccc4F)F	Q9P1W9	Q86V86	6.614393726401688	7.7447274948966935	1.1303337684950057	Same Family
[Q86V86, Q9P1W9]	COc1cc(c(c(c1)F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C(F)(F)F)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	COc1ccc(cc1OC)C=C2C(=O)NC(=O)S2	Q9P1W9	Q86V86	5.6020599913279625	6.552841968657781	0.9507819773298181	Same Family
[Q86V86, Q9P1W9]	COc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.838332587562264	7.508638306165727	1.6703057186034629	Same Family
[Q86V86, Q9P1W9]	COc1ccc2c(c1)oc3c2nc([nH]c3=O)c4ccccc4Cl	Q9P1W9	Q86V86	5.301029995663981	5.301029995663981	0.0	Same Family
[Q86V86, Q9P1W9]	COc1cccc(c1Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	5.759201228882668	7.6777807052660805	1.918579476383412	Same Family
[Q86V86, Q9P1W9]	COc1cccc2c1c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.301029995663981	6.070581074285707	0.7695510786217259	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)NC(=O)OC)C)F)F	Q9P1W9	Q86V86	8.126679398184601	8.175223537524454	0.04854413933985313	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)S(=O)(=O)C)C)F)F	Q9P1W9	Q86V86	8.414539270491499	8.415668775632469	0.0011295051409696555	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)n5ccnn5)C)F)F	Q9P1W9	Q86V86	8.67778070526608	8.756961951313706	0.07918124604762511	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)C#N)C)F)F	Q9P1W9	Q86V86	7.951558196449596	8.201349354554731	0.2497911581051353	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)N(C)C(=O)OC)C)F)F	Q9P1W9	Q86V86	8.821023052706831	9.309803919971486	0.488780867264655	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)NC(=O)OC)C)F)F	Q9P1W9	Q86V86	9.086186147616283	9.102372908709558	0.016186761093274882	Same Family
[Q86V86, Q9P1W9]	Cc1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)n5ccnn5)C)F)F	Q9P1W9	Q86V86	9.060480747381382	9.119186407719209	0.05870566033782687	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)O)C)F)F	Q9P1W9	Q86V86	8.096910013008056	8.397940008672037	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C)F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1)c2cccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)O)C)F	Q9P1W9	Q86V86	7.769551078621726	8.397940008672037	0.6283889300503116	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C(F)(F)F)F	Q9P1W9	Q86V86	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C)F	Q9P1W9	Q86V86	8.096910013008056	8.522878745280337	0.42596873227228116	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)O)C)F)F	Q9P1W9	Q86V86	8.610924374808178	8.698970004336019	0.08804562952784067	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)(C)C)N)F)F	Q9P1W9	Q86V86	8.301029995663981	8.397940008672037	0.09691001300805624	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C)F)F	Q9P1W9	Q86V86	8.522878745280337	8.698970004336019	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2c(ccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)O)C)F)F	Q9P1W9	Q86V86	8.698970004336019	8.522878745280337	0.17609125905568135	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(C(C(C4)N)O)C)F	Q9P1W9	Q86V86	8.037860356969059	8.397940008672037	0.3600796517029785	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)(C)C)N)F	Q9P1W9	Q86V86	8.0	8.397940008672037	0.3979400086720375	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)N)F	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	7.568636235841013	8.301029995663981	0.7323937598229682	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	7.958607314841775	8.698970004336019	0.7403626894942441	Same Family
[Q86V86, Q9P1W9]	Cc1ccc(c(c1F)c2cccc(n2)C(=O)Nc3cnccc3N4CC(C(C(C4)N)O)C)F	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	Cc1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.405165644416682	6.982966660701219	1.5778010162845373	Same Family
[Q86V86, Q9P1W9]	Cc1cn(nn1)C2C(CN(CC2N)c3ccncc3NC(=O)c4ccc(c(n4)c5c(cccc5F)F)F)C	Q9P1W9	Q86V86	8.856985199745905	9.065501548756432	0.20851634901052662	Same Family
[Q86V86, Q9P1W9]	Cc1nnc(o1)c2cccc(c2)c3cnn4c3nc(cc4)NCCN	Q9P1W9	Q86V86	8.136677139879543	8.744727494896694	0.6080503550171503	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)Br)N2CCCC(C2)N)C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	6.823908740944319	8.0	1.1760912590556813	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	6.223298816011589	8.096910013008056	1.8736111969964675	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)Cl)N2CCNCC2)C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	7.086186147616283	7.585026652029182	0.4988405044128985	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)F	Q9P1W9	Q86V86	5.9714287473074625	7.638272163982407	1.6668434166749444	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C5CC5)F	Q9P1W9	Q86V86	5.47755576649368	6.779891911959945	1.3023361454662652	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	7.698970004336019	8.522878745280337	0.8239087409443187	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c(cc(c(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C(F)(F)F)N)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c(cc(c(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)N)F)F	Q9P1W9	Q86V86	8.27642098432889	8.372363747448347	0.09594276311945649	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c(cc(c(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)N)F)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F)F	Q9P1W9	Q86V86	7.958607314841775	8.301029995663981	0.3424226808222066	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	8.301029995663981	8.522878745280337	0.22184874961635614	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2c[nH]c3c2cc(cc3)c4nnc(s4)N)F	Q9P1W9	Q86V86	6.458420756053419	7.013228265733755	0.5548075096803355	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc(c(n2)C(=O)Nc3cnccc3C4=CC(C(CC4)O)N)N)F	Q9P1W9	Q86V86	8.071333751784366	8.301029995663981	0.22969624387961574	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc(c(n2)C(=O)Nc3cnccc3C4=CC(CCC4)N)N)F	Q9P1W9	Q86V86	8.154901959985743	8.221848749616356	0.06694678963061307	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc(c(n2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C(F)(F)F)N)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc(c(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)N)F	Q9P1W9	Q86V86	8.1419983281826	8.34948500216801	0.2074866739854091	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc(c(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	7.356547323513813	8.154901959985743	0.7983546364719301	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(C5)N)F	Q9P1W9	Q86V86	7.1487416512809245	8.221848749616356	1.0731070983354316	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)N)F	Q9P1W9	Q86V86	8.045757490560675	9.0	0.9542425094393252	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCC(CC5)O)F	Q9P1W9	Q86V86	6.441291429466834	7.6777807052660805	1.2364892757992463	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCC(C5)N)F	Q9P1W9	Q86V86	7.154901959985743	8.397940008672037	1.2430380486862944	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCCC5)F	Q9P1W9	Q86V86	5.522878745280337	6.847711655616943	1.3248329103366059	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCCNCC5)F	Q9P1W9	Q86V86	7.229147988357856	8.154901959985743	0.9257539716278869	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)N5CCNCC5)F	Q9P1W9	Q86V86	7.5376020021010435	8.221848749616356	0.6842467475153127	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCCNC5)F	Q9P1W9	Q86V86	7.823908740944319	8.698970004336019	0.8750612633917001	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNC5)F	Q9P1W9	Q86V86	7.7447274948966935	8.522878745280337	0.7781512503836439	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CCNCC5)F	Q9P1W9	Q86V86	8.221848749616356	9.154901959985743	0.9330532103693869	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)NC5CNC5)F	Q9P1W9	Q86V86	7.259637310505756	8.221848749616356	0.9622114391106003	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCCNC5)F	Q9P1W9	Q86V86	7.795880017344075	8.301029995663981	0.5051499783199063	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CCNCC5)F	Q9P1W9	Q86V86	7.481486060122113	8.698970004336019	1.2174839442139058	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2cccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	7.823908740944319	8.522878745280337	0.6989700043360187	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2cccc(n2)C(=O)Nc3cnccc3OC4CCNCC4)F	Q9P1W9	Q86V86	6.823908740944319	9.0	2.1760912590556813	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	8.522878745280337	8.522878745280337	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3N4CCC(CC4)F)F	Q9P1W9	Q86V86	7.259637310505756	8.522878745280337	1.2632414347745815	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3N4CCCC(C4)N)F	Q9P1W9	Q86V86	8.698970004336019	8.698970004336019	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(c(s2)N)C(=O)Nc3cnccc3OC4CCNC4)F	Q9P1W9	Q86V86	9.0	9.0	0.0	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	7.015525159509329	7.939713034397075	0.9241878748877461	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	7.5376020021010435	8.397940008672037	0.860338006570994	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CC(CC(C4)(F)F)N)F	Q9P1W9	Q86V86	7.42021640338319	8.397940008672037	0.9777236052888476	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CC(CC(C4)F)N)F	Q9P1W9	Q86V86	7.2072696352457495	8.096910013008056	0.8896403777623068	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CC(CC(C4)N)CF)F	Q9P1W9	Q86V86	8.522878745280337	8.397940008672037	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CC(CC(C4)N)CO)F	Q9P1W9	Q86V86	7.236572006437063	7.619788758288394	0.38321675185133053	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CCC(C(C4)N)Cl)F	Q9P1W9	Q86V86	7.267606240177032	7.920818753952375	0.6532125137753431	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CCC(C(C4)N)F)F	Q9P1W9	Q86V86	7.638272163982407	8.301029995663981	0.6627578316815743	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	8.240743030061056	8.698970004336019	0.45822697427496273	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3N4CCCC(C4)N)F	Q9P1W9	Q86V86	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCC(CC4)O)F	Q9P1W9	Q86V86	7.443697499232713	8.698970004336019	1.2552725051033056	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCCCC4)F	Q9P1W9	Q86V86	6.6020599913279625	7.958607314841775	1.3565473235138121	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCNCC4)F	Q9P1W9	Q86V86	7.7447274948966935	9.0	1.2552725051033065	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OC4CCOCC4)F	Q9P1W9	Q86V86	6.3979400086720375	8.301029995663981	1.9030899869919438	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3OCC4CCOCC4)F	Q9P1W9	Q86V86	7.251811972993799	8.154901959985743	0.9030899869919438	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1)F)c2nc(cs2)c3ccc4c(c3)c(ccn4)N5CCNCC5)F	Q9P1W9	Q86V86	6.721246399047171	8.301029995663981	1.5797835966168101	Same Family
[Q86V86, Q9P1W9]	c1cc(c(c(c1O)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	8.698970004336019	9.0	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1C(=O)NCCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	Q9P1W9	Q86V86	6.872895201635193	7.698970004336019	0.826074802700826	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1CN)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	7.060480747381382	8.096910013008056	1.0364292656266745	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1CNC2CCNCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	Q9P1W9	Q86V86	7.5376020021010435	8.096910013008056	0.5593080109070128	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1Cl)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	6.533132379645891	7.769551078621726	1.236418698975835	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1Cl)N2CCC(C2)N)C=C3C(=O)NC(=O)S3	Q9P1W9	Q86V86	7.102372908709558	8.301029995663981	1.198657086954423	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1F)Cl)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br	Q9P1W9	Q86V86	6.070581074285707	7.638272163982407	1.5676910896966998	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1F)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	7.096910013008056	8.045757490560675	0.9488474775526186	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1F)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	Q9P1W9	Q86V86	6.185086818724926	7.886056647693163	1.700969828968237	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	7.6020599913279625	8.301029995663981	0.6989700043360187	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1NC(=O)CCN2CCCCC2)Cl)c3[nH]c(=O)c4c(n3)c5cc(ccc5o4)Br	Q9P1W9	Q86V86	7.167491087293763	8.301029995663981	1.1335389083702179	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1O)F)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F	Q9P1W9	Q86V86	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1O)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	8.045757490560675	8.522878745280337	0.4771212547196626	Same Family
[Q86V86, Q9P1W9]	c1cc(c(cc1O)c2ccc(c(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)F)F	Q9P1W9	Q86V86	7.173925197299173	8.221848749616356	1.047923552317183	Same Family
[Q86V86, Q9P1W9]	c1cc(c2c(c1)sc(n2)c3c(cccc3F)F)Nc4cnccc4OC5CCNC5	Q9P1W9	Q86V86	6.7447274948966935	8.0	1.2552725051033065	Same Family
[Q86V86, Q9P1W9]	c1cc(cc(c1)c2nccs2)c3ncc4cccc(c4n3)Nc5cnccc5N6CCCC(C6)N	Q9P1W9	Q86V86	5.698970004336019	7.022276394711152	1.3233063903751336	Same Family
[Q86V86, Q9P1W9]	c1cc(ccc1c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)NCC5CCNCC5	Q9P1W9	Q86V86	7.5376020021010435	8.096910013008056	0.5593080109070128	Same Family
[Q86V86, Q9P1W9]	c1cc(ccc1c2c[nH]c3c2c(ncn3)NCCO)C(=O)N	Q9P1W9	Q86V86	5.721246399047171	7.585026652029182	1.8637802529820107	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)C(=O)Nc2cnccc2C3CCCC(C3)N)c4c(cc(cc4F)O)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)C(=O)Nc2cnccc2C3CCCC(C3)N)c4cc(cc(c4F)F)F	Q9P1W9	Q86V86	7.119186407719209	8.045757490560675	0.9265710828414662	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)C(=O)Nc2cnccc2C3CCCC(C3)N)c4cc(ccc4F)O	Q9P1W9	Q86V86	8.096910013008056	8.698970004336019	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)C(=O)Nc2cnccc2C3CCCC(C3)N)c4ccc(cc4F)O	Q9P1W9	Q86V86	7.920818753952375	8.522878745280337	0.6020599913279625	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)N)c2c[nH]c3c2cc(cc3)c4nnc(s4)N	Q9P1W9	Q86V86	6.010105436281227	6.730487055782084	0.7203816195008566	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)N2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	Q9P1W9	Q86V86	6.982966660701219	7.823908740944319	0.8409420802430994	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)NC2CCCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	Q9P1W9	Q86V86	6.6439741428068775	7.657577319177793	1.013603176370916	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)OC2CCCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	Q9P1W9	Q86V86	6.943095148663527	7.7447274948966935	0.8016323462331663	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1)c2c(cccc2F)F)CNc3cnccc3OC4CCNCC4	Q9P1W9	Q86V86	5.376750709602099	6.6020599913279625	1.2253092817258633	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1F)C2CCC(CC2)O)C(=O)Nc3cnccc3C4CCCC(C4)N	Q9P1W9	Q86V86	6.959164356354538	7.089243235797613	0.13007887944307495	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1F)C2CCCCC2)C(=O)Nc3cnccc3C4CC(CC(C4)N)C(F)(F)F	Q9P1W9	Q86V86	8.301029995663981	7.958607314841775	0.3424226808222066	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1F)c2c(cc(cc2F)O)F)C(=O)Nc3cnccc3C4CCCC(C4)N	Q9P1W9	Q86V86	8.397940008672037	8.522878745280337	0.1249387366082999	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1F)c2cc(cc(c2F)F)F)C(=O)Nc3cnccc3C4CCCC(C4)N	Q9P1W9	Q86V86	7.3979400086720375	7.920818753952375	0.5228787452803374	Same Family
[Q86V86, Q9P1W9]	c1cc(nc(c1N)C(=O)Nc2cnccc2C3CCCC(C3)N)C4CCCCC4	Q9P1W9	Q86V86	7.657577319177793	7.853871964321762	0.19629464514396844	Same Family
[Q86V86, Q9P1W9]	c1cc2c(c3ccc4c(c[nH]c4c3[nH]2)C=O)c(c1)Br	Q9P1W9	Q86V86	6.882728704344236	7.906578314837765	1.0238496104935297	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CC(C4)O	Q9P1W9	Q86V86	6.847711655616943	7.958607314841775	1.1108956592248314	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)N	Q9P1W9	Q86V86	7.226235711770109	8.090228032229065	0.8639923204589568	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC(C4)O	Q9P1W9	Q86V86	7.042352858488657	8.198970004336019	1.1566171458473615	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCC4	Q9P1W9	Q86V86	7.167491087293763	8.0	0.8325089127062366	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCC4	Q9P1W9	Q86V86	6.7121982700697735	7.920818753952375	1.2086204838826013	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1Br)c3c(o2)c(=O)[nH]c(n3)CN4CCCCC4	Q9P1W9	Q86V86	6.136677139879544	7.3872161432802645	1.2505390034007204	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O)Br)C(N2)O	Q9P1W9	Q86V86	7.154901959985743	7.0	0.15490195998574308	Same Family
[Q86V86, Q9P1W9]	c1cc2c(cc1c3nnc(s3)N)c(c[nH]2)c4cncc(n4)N	Q9P1W9	Q86V86	6.716698771296451	7.5376020021010435	0.8209032308045927	Same Family
[Q86V86, Q9P1W9]	c1cc2ccc(nc2c(c1)Nc3cnccc3N4CC(CC(C4)N)CO)c5c(cccc5F)F	Q9P1W9	Q86V86	6.543633966870957	6.533132379645891	0.010501587225066444	Same Family
[Q86V86, Q9P1W9]	c1cc2ccc(nc2c(c1)Nc3cnccc3N4CC(CC(C4)O)N)c5c(cccc5F)F	Q9P1W9	Q86V86	6.29073003902417	7.214670164989233	0.9239401259650633	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3C4=CC(CCC4)N)c5c(cccc5F)F	Q9P1W9	Q86V86	6.406713932979542	7.107905397309519	0.7011914643299768	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3N4CC(CC(C4)N)CF)c5c(cccc5F)F	Q9P1W9	Q86V86	7.698970004336019	7.309803919971486	0.3891660843645326	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3N4CC(CC(C4)N)N)c5c(cccc5F)F	Q9P1W9	Q86V86	5.6020599913279625	6.609064892896621	1.0070049015686582	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3N4CCC(C(C4)N)F)c5c(cccc5F)F	Q9P1W9	Q86V86	6.302770657240282	6.534423680738353	0.2316530234980707	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3N4CCC(C(C4)N)O)c5c(cccc5F)F	Q9P1W9	Q86V86	6.842014827271541	7.459326346097933	0.6173115188263925	Same Family
[Q86V86, Q9P1W9]	c1cc2cnc(nc2c(c1)Nc3cnccc3N4CCCC(C4)N)c5nccs5	Q9P1W9	Q86V86	5.721246399047171	6.826813731587726	1.1055673325405548	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCC(C3)N	Q9P1W9	Q86V86	6.6020599913279625	7.376750709602099	0.7746907182741367	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)C=C2C(=O)NC(=O)S2)N3CCNCC3	Q9P1W9	Q86V86	6.7447274948966935	7.443697499232713	0.6989700043360196	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Br)Cl	Q9P1W9	Q86V86	6.1073489661227	7.7447274948966935	1.6373785287739935	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C#N)Cl	Q9P1W9	Q86V86	5.464832514885056	6.690369832574102	1.2255373176890458	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)C(F)(F)F)Cl	Q9P1W9	Q86V86	5.632644078973981	6.991399828238082	1.358755749264101	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)Cl)Cl	Q9P1W9	Q86V86	6.066512712151295	7.522878745280337	1.4563660331290427	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)N)Cl	Q9P1W9	Q86V86	5.301029995663981	5.35723879673468	0.05620880107069848	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)O)Cl	Q9P1W9	Q86V86	5.425390058659813	6.97469413473523	1.5493040760754164	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4cc(ccc4o3)OC(F)(F)F)Cl	Q9P1W9	Q86V86	5.301029995663981	6.543633966870957	1.242603971206976	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2[nH]c(=O)c3c(n2)c4ccc(cc4o3)O)Cl	Q9P1W9	Q86V86	5.62397081827182	7.1487416512809245	1.5247708330091045	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2c(cc(c(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)N)F)F	Q9P1W9	Q86V86	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2c(ccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F)F	Q9P1W9	Q86V86	7.455931955649724	8.301029995663981	0.8450980400142569	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2cccc(n2)C(=O)Nc3cnccc3C4CCC(C(C4)N)O)F	Q9P1W9	Q86V86	7.318758762624412	8.301029995663981	0.9822712330395689	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2cccc(n2)CNc3cnccc3OC4CCNCC4)F	Q9P1W9	Q86V86	5.443697499232713	7.327902142064283	1.8842046428315697	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2nc(cs2)C(=O)Nc3cnccc3N4CCCC(C4)N)F	Q9P1W9	Q86V86	8.00436480540245	8.3767507096021	0.3723859041996498	Same Family
[Q86V86, Q9P1W9]	c1ccc(c(c1)c2ncc3cccc(c3n2)Nc4cnccc4N5CCCC(C5)N)F	Q9P1W9	Q86V86	6.882728704344236	7.7447274948966935	0.861998790552458	Same Family
[Q86V86, Q9P1W9]	c1ccc(cc1)C(=O)OC2CC(CN(C2)c3ccncc3NC(=O)c4csc(n4)c5c(cccc5F)F)N	Q9P1W9	Q86V86	6.319664486585437	6.492144128304169	0.17247964171873154	Same Family
[Q86V86, Q9P1W9]	c1ccc(cc1)C=C2C(=O)NC(=O)S2	Q9P1W9	Q86V86	5.327902142064283	6.136677139879544	0.8087749978152612	Same Family
[Q86V86, Q9P1W9]	c1ccc(cc1)c2ccc3c(c2)c4c(o3)c(=O)[nH]c(n4)c5ccccc5Cl	Q9P1W9	Q86V86	5.301029995663981	7.055517327849832	1.7544873321858505	Same Family
[Q86V86, Q9P1W9]	c1ccc(cc1)c2nc(cs2)C(=O)Nc3cnccc3N4CCCC(C4)N	Q9P1W9	Q86V86	7.752026733638194	8.638272163982407	0.8862454303442133	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)c3c(o2)c(=O)[nH]c(n3)c4ccccc4Cl	Q9P1W9	Q86V86	5.301029995663981	5.301029995663981	0.0	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)c3c4cn[nH]c4c5c6ccccc6[nH]c5c3[nH]2	Q9P1W9	Q86V86	6.229147988357856	7.657577319177793	1.4284293308199372	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	Q9P1W9	Q86V86	6.292429823902063	8.0	1.7075701760979367	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)c3ccc4c(cn5c4c3n2CCCC5)C=O	Q9P1W9	Q86V86	6.455931955649724	7.886056647693163	1.4301246920434387	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)cc(cn2)c3c4cc(ccc4[nH]n3)c5cnc(s5)N	Q9P1W9	Q86V86	7.508638306165727	8.154901959985743	0.6462636538200162	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)cc(cn2)c3c[nH]c4c3cc(cc4)c5cnc(s5)N	Q9P1W9	Q86V86	5.567030709125595	6.573488738635425	1.0064580295098304	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)cc(cn2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	Q9P1W9	Q86V86	5.995678626217358	6.749579997691106	0.7539013714737486	Same Family
[Q86V86, Q9P1W9]	c1ccc2c(c1)nc3n2c(=O)c4cccc5c4c3ccc5C(=O)O	Q9P1W9	Q86V86	6.958607314841775	7.080921907623926	0.12231459278215162	Same Family
[Q86V86, Q9P1W9]	c1cncc(c1C2CC(C(C(C2)N)O)N)NC(=O)c3csc(n3)C4CCCCC4	Q9P1W9	Q86V86	6.6020599913279625	6.667561540084395	0.06550154875643255	Same Family
[Q86V86, Q9P1W9]	c1cncc(c1N2CC(CC(C2)N)C(F)(F)F)NC(=O)c3csc(n3)C4CCCCC4	Q9P1W9	Q86V86	7.6777807052660805	7.698970004336019	0.021189299069938272	Same Family
[Q86V86, Q9P1W9]	c1cncc(c1N2CCCC(C2)N)NC(=O)c3csc(n3)C4CCCCC4	Q9P1W9	Q86V86	6.681936665037238	7.346787486224656	0.664850821187418	Same Family
[Q86V86, Q9P1W9]	c1cncc(c1c2c(cc(c(n2)C(=O)Nc3cnccc3C4CCCC(C4)N)N)F)F	Q9P1W9	Q86V86	7.619788758288394	8.045757490560675	0.42596873227228116	Same Family
[O43781, Q9Y463]	CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	O43781	Q9Y463	7.3979400086720375	7.3979400086720375	0.0	Same Family
[O43781, Q9Y463]	CC1(C=Cc2c(cc(c3c2[nH]c4c(c3=O)ccc(c4OC)O)O)O1)C	O43781	Q9Y463	5.920818753952375	6.455931955649724	0.5351132016973494	Same Family
[O43781, Q9Y463]	CN1C(=O)C(=Cc2ccc3c(c2)OCO3)N=C1N	O43781	Q9Y463	5.853871964321762	5.3872161432802645	0.4666558210414973	Same Family
[O43781, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4Br)C(=O)O	O43781	Q9Y463	5.853871964321762	6.638272163982407	0.7844001996606451	Same Family
[O43781, Q9Y463]	COc1ccc2c(c1)nc(c3c2[nH]c4c3cccc4F)C(=O)O	O43781	Q9Y463	5.638272163982407	5.522878745280337	0.11539341870206954	Same Family
[O43781, Q9Y463]	COc1cccc(c1)c2ccc3c(c2)c4c(c5cccc(c5[nH]4)Cl)c(n3)C(=O)O	O43781	Q9Y463	7.522878745280337	5.721246399047171	1.8016323462331663	Same Family
[O43781, Q9Y463]	Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC	O43781	Q9Y463	6.387345359137068	7.025820458504806	0.6384750993677377	Same Family
[O43781, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCN	O43781	Q9Y463	6.698970004336019	6.958607314841775	0.2596373105057559	Same Family
[O43781, Q9Y463]	c1cc(ccc1NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2)OCCOCCOCCOCCN	O43781	Q9Y463	6.7447274948966935	7.142667503568732	0.3979400086720384	Same Family
[O43781, Q9Y463]	c1ccc(cc1)NC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2	O43781	Q9Y463	6.324875990832918	7.235028299170665	0.9101523083377465	Same Family
[O14757, O14965]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O14757	O14965	8.540291951309868	8.160579629225387	0.37971232208448136	Different Group
[O14757, O14965]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14757	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, O14965]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O14757	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, O14965]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O14757	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, O14965]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O14757	O14965	4.522878745280337	4.522878745280337	0.0	Different Group
[O14757, O14965]	COc1ccc2c(c1)nc([nH]2)c3c(c4cc(sc4[nH]c3=O)Cl)NC5CCCNC5	O14757	O14965	8.63264407897398	6.483861423282925	2.148782655691055	Different Group
[O14757, O14965]	COc1ccc2c(c1)nc([nH]2)c3c(c4cc(sc4[nH]c3=O)Cl)NC5CN6CCC5CC6	O14757	O14965	8.27083521030723	5.853766505609911	2.4170687046973187	Different Group
[O14757, O14965]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14757	O14965	5.863279432843593	5.809668301829708	0.05361113101388515	Different Group
[O14757, O14965]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	O14757	O14965	4.7447274948966935	5.107905397309519	0.36317790241282566	Different Group
[O14757, O14965]	c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	O14757	O14965	5.7447274948966935	5.008773924307505	0.7359535705891886	Different Group
[O14757, O14965]	c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O	O14757	O14965	8.207608310501746	5.092051478387727	3.1155568321140183	Different Group
[O14757, O14965]	c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO	O14757	O14965	4.679853713888946	6.5638373529592435	1.8839836390702978	Different Group
[O14757, O14965]	c1ccc2c(c1)[nH]c(n2)c3c(c4c(ccs4)[nH]c3=O)NC5CCCNC5	O14757	O14965	8.122628654130226	6.694949731082777	1.4276789230474494	Different Group
[O14757, O14965]	c1ccc2c(c1)[nH]c(n2)c3c(c4cc(sc4[nH]c3=O)Br)NC5CCCNC5	O14757	O14965	8.316052869248487	5.798152426409905	2.5179004428385827	Different Group
[O14757, O14965]	c1ccc2c(c1)[nH]c(n2)c3c(c4cc(sc4[nH]c3=O)Cl)NC5CCCNC5	O14757	O14965	8.422385135698754	5.978186592759716	2.444198542939038	Different Group
[O14757, O14965]	c1ccc2c(c1)[nH]c(n2)c3c(c4ccsc4[nH]c3=O)NC5CCCNC5	O14757	O14965	8.044602449321637	6.203599917613271	1.8410025317083658	Different Group
[O14757, P30291]	CC(=O)c1ccccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.958607314841775	6.080461938329954	0.8781453765118208	Different Group
[O14757, P30291]	CC(C)CCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	4.619788758288394	6.821948810943301	2.202160052654907	Different Group
[O14757, P30291]	CC(C)n1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	4.568636235841013	7.277865152015803	2.70922891617479	Different Group
[O14757, P30291]	CCCCCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	4.356547323513813	6.7697811210384575	2.4132337975246445	Different Group
[O14757, P30291]	CCCCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	4.455931955649724	7.229590093514207	2.7736581378644827	Different Group
[O14757, P30291]	CCCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	6.346787486224656	7.200315045651142	0.8535275594264862	Different Group
[O14757, P30291]	CCOc1ccccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.42021640338319	6.5875129697428605	1.1672965663596706	Different Group
[O14757, P30291]	CCc1c(c2c(c3c1[nH]c4c3cc(cc4)O)C(=O)NC2=O)c5ccccc5	O14757	P30291	6.366531544420414	5.79294002170761	0.5735915227128041	Different Group
[O14757, P30291]	CCc1ccccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	4.721246399047171	6.291215497938437	1.5699690988912662	Different Group
[O14757, P30291]	CCn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	6.920818753952375	7.300509466670935	0.3796907127185598	Different Group
[O14757, P30291]	COc1cc(ccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)N	O14757	P30291	5.327902142064283	7.720675709517767	2.3927735674534842	Different Group
[O14757, P30291]	COc1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.886056647693163	4.910409448005003	0.9756471996881597	Different Group
[O14757, P30291]	COc1ccc2c(c1)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5ccccc5Cl	O14757	P30291	5.494850021680094	6.1919114353269595	0.6970614136468658	Different Group
[O14757, P30291]	COc1cccc(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.657577319177793	6.208802395055629	0.5512250758778352	Different Group
[O14757, P30291]	COc1cccc(c1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Cl	O14757	P30291	6.221848749616356	7.821891432890132	1.6000426832737755	Different Group
[O14757, P30291]	COc1cccc(c1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)F	O14757	P30291	6.1487416512809245	7.538803373026826	1.3900617217459015	Different Group
[O14757, P30291]	COc1cccc(c1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)OC	O14757	P30291	5.275724130399211	7.569280590144537	2.293556459745326	Different Group
[O14757, P30291]	COc1ccccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.301029995663981	7.619879255160281	1.3188492594963002	Different Group
[O14757, P30291]	C[S+](c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)[O-]	O14757	P30291	5.0	5.958607314841775	0.9586073148417746	Different Group
[O14757, P30291]	Cc1c(c2c(c3c1[nH]c4c3cc(cc4)O)C(=O)NC2=O)c5ccccc5	O14757	P30291	6.619788758288394	6.888036676436635	0.26824791814824156	Different Group
[O14757, P30291]	Cc1c(c2c(c3cc(ccc3[nH]2)O)c4c1C(=O)NC4=O)c5ccccc5	O14757	P30291	7.494850021680094	5.011614181964424	2.48323583971567	Different Group
[O14757, P30291]	Cc1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.552841968657781	5.480743109726218	0.07209885893156276	Different Group
[O14757, P30291]	Cc1cccc(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.2076083105017466	6.639133015876654	0.4315247053749074	Different Group
[O14757, P30291]	Cc1cccc(c1C)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.1487416512809245	6.569320925844654	1.4205792745637291	Different Group
[O14757, P30291]	Cc1ccccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.522878745280337	6.821948810943301	0.29907006566296346	Different Group
[O14757, P30291]	Cn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5)O	O14757	P30291	7.251811972993799	6.67629930126916	0.5755126717246393	Different Group
[O14757, P30291]	Cn1c2ccc(cc2c3c1cc(c4c3C(=O)NC4=O)c5ccccc5Cl)O	O14757	P30291	6.657577319177793	7.242077643386601	0.5845003242088076	Different Group
[O14757, P30291]	c1cc([nH]c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.795880017344075	6.742363849907403	0.05351616743667176	Different Group
[O14757, P30291]	c1cc(c(c(c1)Br)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Br	O14757	P30291	5.154901959985743	7.457989056996664	2.3030870970109207	Different Group
[O14757, P30291]	c1cc(c(c(c1)Cl)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.619788758288394	7.551450489942221	0.9316617316538274	Different Group
[O14757, P30291]	c1cc(c(c(c1)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Cl	O14757	P30291	5.920818753952375	7.551450489942221	1.6306317359898461	Different Group
[O14757, P30291]	c1cc(c(c(c1)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)O	O14757	P30291	6.102372908709558	7.348385766876408	1.24601285816685	Different Group
[O14757, P30291]	c1cc(c(c(c1)N)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.318758762624412	7.79893811879968	1.4801793561752676	Different Group
[O14757, P30291]	c1cc(c(c(c1)O)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.013228265733755	7.735438882589518	1.7222106168557634	Different Group
[O14757, P30291]	c1cc(c(cc1N)Br)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.657577319177793	7.699513552156626	1.0419362329788324	Different Group
[O14757, P30291]	c1cc(c(cc1N)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.638272163982407	7.619788758288394	0.9815165943059867	Different Group
[O14757, P30291]	c1cc(c(cc1N)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Cl	O14757	P30291	5.275724130399211	7.699513552156626	2.423789421757415	Different Group
[O14757, P30291]	c1cc(c(cc1O)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.886056647693163	7.639123537396505	0.7530668897033417	Different Group
[O14757, P30291]	c1cc(cc(c1)Cl)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.481486060122113	7.259834806873123	0.7783487467510097	Different Group
[O14757, P30291]	c1cc(cc(c1)F)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	7.136677139879544	6.6587848505905605	0.47789228928898364	Different Group
[O14757, P30291]	c1cc(cc(c1)N)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.795880017344075	7.152465023828446	1.3565850064843712	Different Group
[O14757, P30291]	c1cc(cc(c1)O)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.585026652029182	7.050293043415881	0.4652663913866988	Different Group
[O14757, P30291]	c1cc(cc(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)C#N	O14757	P30291	5.376750709602099	6.742363849907403	1.365613140305304	Different Group
[O14757, P30291]	c1cc(cc(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)CN	O14757	P30291	4.638272163982407	5.35327346348848	0.7150012995060733	Different Group
[O14757, P30291]	c1cc(cc(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)CO	O14757	P30291	6.013228265733755	6.060241268734609	0.047013003000854425	Different Group
[O14757, P30291]	c1cc(ccc1C#N)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.920818753952375	5.742363849907403	1.1784549040449717	Different Group
[O14757, P30291]	c1cc(ccc1CO)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.468521082957745	5.920410177937011	0.5481109050207333	Different Group
[O14757, P30291]	c1cc(ccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)F	O14757	P30291	5.552841968657781	4.797940035041261	0.7549019336165195	Different Group
[O14757, P30291]	c1cc(ccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)N	O14757	P30291	7.6777807052660805	6.821948810943301	0.8558318943227796	Different Group
[O14757, P30291]	c1cc(ccc1c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)O	O14757	P30291	7.6777807052660805	7.171957130681528	0.5058235745845527	Different Group
[O14757, P30291]	c1cc(cnc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	5.638272163982407	6.238285979572167	0.6000138155897599	Different Group
[O14757, P30291]	c1cc(sc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.920818753952375	6.851941753915143	0.06887700003723207	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)C5CCNC5	O14757	P30291	4.619788758288394	4.886056647693163	0.2662678894047694	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)I	O14757	P30291	7.42021640338319	5.634135972253645	1.7860804311295446	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5c(cc(cc5Cl)O)Cl	O14757	P30291	5.886056647693163	7.309892569591396	1.4238359218982328	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5c(ccc(c5Cl)O)Cl	O14757	P30291	5.619788758288394	7.742328053455809	2.1225392951674156	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5cc(ccc5Cl)O	O14757	P30291	5.958607314841775	7.378359407237901	1.4197520923961262	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5cc[nH]c5	O14757	P30291	7.585026652029182	7.420102145426883	0.16492450660229885	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5ccncc5	O14757	P30291	6.508638306165727	6.088093211701151	0.42054509446457633	Different Group
[O14757, P30291]	c1cc2c(cc1O)c3c([nH]2)cc(c4c3C(=O)NC4=O)c5ccsc5	O14757	P30291	7.769551078621726	7.378359407237901	0.39119167138382505	Different Group
[O14757, P30291]	c1ccc(c(c1)C#N)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	7.494850021680094	6.720618722969492	0.7742312987106015	Different Group
[O14757, P30291]	c1ccc(c(c1)CO)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.346787486224656	6.348395489379307	0.0016080031546508167	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Br	O14757	P30291	6.823908740944319	7.639123537396505	0.8152147964521861	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)C(=O)N	O14757	P30291	5.619788758288394	6.795880017344075	1.1760912590556813	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)C(F)(F)F	O14757	P30291	5.0	6.238285979572167	1.2382859795721668	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)Cl	O14757	P30291	6.356547323513812	7.9593983803467125	1.6028510568329004	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)F	O14757	P30291	7.113509274827518	6.480743765501632	0.6327655093258855	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)I	O14757	P30291	6.2076083105017466	7.888070392334685	1.680462081832938	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)N	O14757	P30291	6.102372908709558	6.678889950500676	0.5765170417911181	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)O	O14757	P30291	5.920818753952375	7.220909811139508	1.3000910571871334	Different Group
[O14757, P30291]	c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)[N+](=O)[O-]	O14757	P30291	5.3979400086720375	7.328967386077889	1.9310273774058517	Different Group
[O14757, P30291]	c1ccc(cc1)c2c(c3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O)c6ccccc6	O14757	P30291	6.431798275933005	5.634135972253645	0.7976623036793598	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4c2[nH]c5c4cc(cc5)O)C(=O)NC3=O	O14757	P30291	6.481486060122113	5.393970152414903	1.0875159077072096	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)N(C5=O)N	O14757	P30291	5.236572006437063	5.40446778951504	0.16789578307797726	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	7.327902142064283	7.011622403716178	0.3162797383481051	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(NC5=O)O	O14757	P30291	7.130768280269024	5.552841968657781	1.5779263116112432	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4cc(ccc4s3)O)c5c2C(=O)NC5=O	O14757	P30291	6.6777807052660805	7.108965879452762	0.43118517418668123	Different Group
[O14757, P30291]	c1ccc(cc1)c2cc3c(c4ccc(cc4[nH]3)O)c5c2C(=O)NC5=O	O14757	P30291	6.522878745280337	6.509318832137387	0.013559913142950464	Different Group
[O14757, P30291]	c1ccc(cc1)c2cccc(c2)c3cc4c(c5cc(ccc5[nH]4)O)c6c3C(=O)NC6=O	O14757	P30291	4.356547323513813	4.3979400086720375	0.041392685158224474	Different Group
[O14757, P30291]	c1ccc(cc1)c2ccccc2c3cc4c(c5cc(ccc5[nH]4)O)c6c3C(=O)NC6=O	O14757	P30291	6.6777807052660805	6.2420625485173895	0.43571815674869097	Different Group
[O14965, Q06187]	CC(C)Cn1c2ccc(cc2c3c1c4c(c5c3CNC5=O)-c6cn(nc6CC4)C)Nc7ncccn7	O14965	Q06187	7.376750709602099	7.031517051446065	0.345233658156034	Different Group
[O14965, Q06187]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O14965	Q06187	8.160579629225387	7.187086643357144	0.9734929858682424	Different Group
[O14965, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14965	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4cc(ccc4Cl)Cl	O14965	Q06187	4.522878745280337	4.590574131328557	0.06769538604821967	Different Group
[O14965, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3CCCC3)NCc4ccccc4OC	O14965	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, Q06187]	CN1CCC(CC1)NC(=O)c2cnc(nc2NC3COCC3O)Nc4cc(cc(c4)Cl)Cl	O14965	Q06187	4.522878745280337	4.522878745280337	0.0	Different Group
[O14965, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5cccc(c5F)NC(=O)c6ccc(cc6)N(C)C	O14965	Q06187	6.30715308072277	8.522878745280337	2.215725664557567	Different Group
[O14965, Q06187]	CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5F	O14965	Q06187	6.35261702988538	7.823908740944319	1.4712917110589387	Different Group
[O14965, Q06187]	CNc1ncnc(n1)c2cccnc2Oc3ccc(c(c3)C(=O)Nc4cc(ccc4N(C)CCCN(C)C)C(F)(F)F)F	O14965	Q06187	4.6020599913279625	4.6020599913279625	0.0	Different Group
[O14965, Q06187]	Cc1cc(on1)c2cnc(nc2NC3CCC(CC3)N(C)C)Nc4cc(cc(c4)Cl)Cl	O14965	Q06187	5.809668301829708	6.022276394711152	0.21260809288144422	Different Group
[O14965, Q06187]	c1cc(cc(c1)O)c2cn(c3c2c(ncn3)N)C4CC(C4)CN5CCC5	O14965	Q06187	5.508638306165727	6.236572006437063	0.7279337002713362	Different Group
[O14965, O60285]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	O14965	O60285	8.160579629225387	8.096910013008056	0.06366961621733047	Different Group
[O14965, O60285]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O14965	O60285	5.494850021680094	5.7447274948966935	0.2498774732165998	Different Group
[O14965, O60285]	COc1cc(cc(c1OC)OC)C2=C(C(=O)NC2=O)c3c[nH]c4c3cccc4	O14965	O60285	5.135985522789741	4.366531544420414	0.7694539783693273	Different Group
[O14965, O60285]	COc1cc(cc(c1OC)OC)C2=C(CNC2=O)c3cn(c4c3cccc4)CC(CO)O	O14965	O60285	4.327902142064283	4.468521082957745	0.14061894089346172	Different Group
[O14965, O60285]	COc1ccc(cc1)C2=C(C(=O)NC2)c3c[nH]c4c3cccc4	O14965	O60285	4.795880017344075	5.698970004336019	0.9030899869919438	Different Group
[O14965, O60285]	Cn1cc(c2c1cccc2)C3=C(CNC3=O)c4cc(c(c(c4)OC)OC)OC	O14965	O60285	5.494850021680094	5.309803919971486	0.18504610170860758	Different Group
[O14965, O60285]	c1c2c3c4c(cc(c(c4oc2=O)O)O)c(=O)oc3c(c1O)O	O14965	O60285	5.605548319173784	6.292429823902063	0.6868815047282792	Different Group
[O14965, O60285]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)O)Br)O	O14965	O60285	7.0	5.7447274948966935	1.2552725051033065	Different Group
[O14965, O60285]	c1cc(c(cc1CCNC(=O)C(=NO)Cc2cc(c(c(c2)Br)O)c3cc(cc(c3O)Br)CC(=NO)C(=O)NCCc4ccc(c(c4)Br)Oc5cc(cc(c5O)Br)CC(=NO)C(=O)NCCc6ccc(c(c6)Br)O)Br)O	O14965	O60285	5.585026652029182	5.769551078621726	0.1845244265925441	Different Group
[O14965, O60285]	c1cc2c(cc1CC(=NO)C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)C=CNC(=O)C(=NO)Cc5cc(c(c(c5)Br)O)O2)Br	O14965	O60285	5.4089353929735005	5.494850021680094	0.08591462870659328	Different Group
[P30530, Q06418]	CC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	5.721246399047171	5.769551078621726	0.048304679574554754	Same Family
[P30530, Q06418]	CC1(c2cc(ccc2C(=O)c3c1[nH]c4c3ccc(c4)C#N)C5CCN(CC5)CC6CCOCC6)C	P30530	Q06418	6.769551078621726	7.1432711096171175	0.37372003099539164	Same Family
[P30530, Q06418]	CCCC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	5.094743951251549	6.431798275933005	1.3370543246814561	Same Family
[P30530, Q06418]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	5.958607314841775	4.6595558851598815	1.2990514296818931	Same Family
[P30530, Q06418]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	6.187086643357144	6.356547323513812	0.16946068015666782	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CC(C2)O)c3ccccn3	P30530	Q06418	5.554395796726403	5.872895201635193	0.31849940490879014	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(C2)O)c3ccccn3	P30530	Q06418	5.431798275933005	5.863279432843593	0.4314811569105883	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)CN)c3ccccn3	P30530	Q06418	6.7447274948966935	7.236572006437063	0.49184451154036957	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	6.3979400086720375	6.3979400086720375	0.0	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)c3ccccn3	P30530	Q06418	6.259637310505756	7.075720713938118	0.8160834034323621	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCCCC3	P30530	Q06418	6.431798275933005	6.431798275933005	0.0	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)C(C)C	P30530	Q06418	6.366531544420414	6.721246399047171	0.35471485462675734	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)c4ncccn4	P30530	Q06418	6.251811972993799	6.318758762624412	0.06694678963061307	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCNCC3	P30530	Q06418	6.318758762624412	6.275724130399211	0.04303463222520154	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCOCC3	P30530	Q06418	6.236572006437063	6.267606240177032	0.03103423373996872	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCCCC	P30530	Q06418	5.522878745280337	5.173925197299174	0.3489535479811634	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)F	P30530	Q06418	6.102372908709558	6.2441251443275085	0.14175223561795036	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	P30530	Q06418	6.585026652029182	6.552841968657781	0.032184683371401235	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)n4ccnc4	P30530	Q06418	6.443697499232713	6.6020599913279625	0.15836249209524933	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)C(F)(F)F	P30530	Q06418	4.779891911959945	4.747146969020107	0.03274494293983832	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)CN4CCOCC4	P30530	Q06418	6.431798275933005	6.619788758288394	0.18799048235538862	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)F	P30530	Q06418	5.769551078621726	5.657577319177793	0.11197375944393251	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)N4CCOCC4	P30530	Q06418	6.2441251443275085	6.346787486224656	0.10266234189714751	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)OC	P30530	Q06418	6.055517327849832	6.180456064458132	0.1249387366082999	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	6.275724130399211	6.154901959985743	0.12082217041346777	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3cccc(c3)OC	P30530	Q06418	5.769551078621726	6.080921907623926	0.31137082900220037	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccccc3OC	P30530	Q06418	5.42021640338319	5.823908740944319	0.40369233756112877	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cc(ccn3)CN4CCOCC4	P30530	Q06418	6.031517051446065	6.0915149811213505	0.05999792967528528	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)C(=O)NC4CCN(CC4)C	P30530	Q06418	7.214670164989233	7.619788758288394	0.4051185932991608	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN(C)C	P30530	Q06418	7.200659450546419	7.6777807052660805	0.4771212547196617	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCC(CC4)(F)F	P30530	Q06418	6.886056647693163	7.443697499232713	0.5576408515395501	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCN(CC4)C	P30530	Q06418	6.585026652029182	6.958607314841775	0.37358066281259283	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCOCC4	P30530	Q06418	6.568636235841013	7.0	0.4313637641589869	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CC4	P30530	Q06418	7.075720713938118	7.481486060122113	0.40576534618399496	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CCCCC4	P30530	Q06418	7.42021640338319	7.619788758288394	0.19957235490520375	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNCCO	P30530	Q06418	7.154901959985743	7.6777807052660805	0.5228787452803374	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)F	P30530	Q06418	6.337242168318426	6.568636235841013	0.2313940675225874	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)N4CCN(CC4)C	P30530	Q06418	6.7447274948966935	7.055517327849832	0.3107898329531382	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)NC(=O)C4CCN(CC4)C	P30530	Q06418	6.769551078621726	7.026872146400302	0.2573210677785758	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)S(=O)(=O)N4CCOCC4	P30530	Q06418	7.142667503568732	7.552841968657781	0.41017446508904865	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	5.94692155651658	6.200659450546418	0.2537378940298378	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cccnc3	P30530	Q06418	4.790484985457369	4.931814138253839	0.14132915279646951	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	4.8996294548824375	5.20446769648675	0.3048382416043127	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	4.97061622231479	5.698970004336019	0.7283537820212285	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NC2CCNCC2)c3ccccn3	P30530	Q06418	5.801342913045578	6.366531544420414	0.565188631374836	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)C(=O)Nc3ccc(cc3)F	P30530	Q06418	5.698970004336019	6.045757490560675	0.34678748622465605	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)c3ccccn3	P30530	Q06418	6.167491087293763	6.769551078621726	0.6020599913279625	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCC2CCCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	4.853871964321762	5.795880017344075	0.9420080530223132	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	5.327902142064283	6.2076083105017466	0.8797061684374636	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCC2CCNCC2)c3ccccn3	P30530	Q06418	5.892790030352131	6.4089353929735005	0.5161453626213692	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCCCCO)c2ccccn2	P30530	Q06418	4.681936665037238	5.391473966422806	0.7095373013855681	Same Family
[P30530, Q06418]	CCCCNc1ncc(c(n1)NCCCO)c2ccccn2	P30530	Q06418	5.004803708402821	5.308918507877031	0.3041147994742106	Same Family
[P30530, Q06418]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(c(c4)F)S(=O)(=O)N5CCN(CC5)C	P30530	Q06418	7.657577319177793	7.481486060122113	0.17609125905568046	Same Family
[P30530, Q06418]	CCCCNc1ncc2c(nn(c2n1)C3CCC(CC3)O)c4ccc(cc4)S(=O)(=O)N5CCOCC5	P30530	Q06418	7.070581074285707	7.221848749616356	0.151267675330649	Same Family
[P30530, Q06418]	CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F	P30530	Q06418	7.431798275933005	7.318758762624412	0.11303951330859263	Same Family
[P30530, Q06418]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	6.214670164989233	5.920818753952375	0.29385141103685797	Same Family
[P30530, Q06418]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	5.209011524911184	5.798602875679548	0.5895913507683641	Same Family
[P30530, Q06418]	CCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q06418	6.107905397309519	4.790484985457369	1.31742041185215	Same Family
[P30530, Q06418]	CCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	5.452225294612178	5.58838029403677	0.1361549994245923	Same Family
[P30530, Q06418]	CN1CCN(CC1)Cc2ccc(cc2)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P30530	Q06418	7.823908740944319	7.769551078621726	0.05435766232259276	Same Family
[P30530, Q06418]	CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2)F)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P30530	Q06418	7.494850021680094	7.346787486224656	0.14806253545543768	Same Family
[P30530, Q06418]	CNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q06418	5.406713932979542	5.164309428507575	0.24240450447196782	Same Family
[P30530, Q06418]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P30530	Q06418	7.214670164989233	6.568636235841013	0.6460339291482198	Same Family
[P30530, Q06418]	COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P30530	Q06418	5.2441251443275085	6.3979400086720375	1.153814864344529	Same Family
[P30530, Q06418]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P30530	Q06418	5.494850021680094	6.4467345730888095	0.9518845514087158	Same Family
[P30530, Q06418]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P30530	Q06418	5.399027104313252	7.154901959985743	1.7558748556724915	Same Family
[P30530, Q06418]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4)S(=O)(=O)N5CCOCC5	P30530	Q06418	5.045757490560675	5.366531544420414	0.320774053859739	Same Family
[P30530, Q06418]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCOCC4)S(=O)(=O)N5CCOCC5	P30530	Q06418	5.130768280269024	5.638272163982407	0.5075038837133832	Same Family
[P30530, Q06418]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCC4CC4)S(=O)(=O)N5CCOCC5	P30530	Q06418	6.522878745280337	6.026872146400302	0.49600659888003573	Same Family
[P30530, Q06418]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCC(F)(F)F)S(=O)(=O)N4CCOCC4	P30530	Q06418	5.2441251443275085	5.292429823902063	0.048304679574554754	Same Family
[P30530, Q06418]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCO)S(=O)(=O)N4CCOCC4	P30530	Q06418	5.366531544420414	5.173925197299174	0.1926063471212398	Same Family
[P30530, Q06418]	c1ccc(cc1)CCNc2ncc(c(n2)NC3CCC(CC3)O)c4ccccn4	P30530	Q06418	6.366531544420414	7.096910013008056	0.7303784685876424	Same Family
[P30530, Q06418]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4	P30530	Q06418	4.692503962086787	5.935542010773082	1.2430380486862944	Same Family
[P30530, Q06418]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCCO	P30530	Q06418	5.460923901207224	5.533132379645891	0.07220847843866718	Same Family
[P30530, Q06418]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCO	P30530	Q06418	4.823908740944319	5.211831628858833	0.387922887914514	Same Family
[P30530, Q06418]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCO	P30530	Q06418	4.732828271596986	5.048662481204082	0.31583420960709585	Same Family
[P30530, Q12866]	CC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.721246399047171	7.619788758288394	1.8985423592412225	Same Family
[P30530, Q12866]	CCCC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	5.094743951251549	7.356547323513813	2.261803372262264	Same Family
[P30530, Q12866]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.958607314841775	7.568636235841013	1.6100289209992384	Same Family
[P30530, Q12866]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	6.187086643357144	7.721246399047171	1.5341597556900268	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CC(C2)O)c3ccccn3	P30530	Q12866	5.554395796726403	6.698970004336019	1.1445742076096161	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(C2)O)c3ccccn3	P30530	Q12866	5.431798275933005	6.795880017344075	1.36408174141107	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)CN)c3ccccn3	P30530	Q12866	6.7447274948966935	8.346787486224656	1.6020599913279625	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	6.3979400086720375	8.67778070526608	2.279840696594043	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)c3ccccn3	P30530	Q12866	6.259637310505756	8.744727494896694	2.4850901843909377	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCCCC3	P30530	Q12866	6.431798275933005	8.096910013008056	1.6651117370750512	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)C(C)C	P30530	Q12866	6.366531544420414	8.075720713938118	1.7091891695177042	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)c4ncccn4	P30530	Q12866	6.251811972993799	8.387216143280265	2.1354041702864652	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCNCC3	P30530	Q12866	6.318758762624412	8.045757490560675	1.7269987279362624	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCOCC3	P30530	Q12866	6.236572006437063	7.886056647693163	1.6494846412561	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCCCC	P30530	Q12866	5.522878745280337	7.173925197299173	1.6510464520188357	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)F	P30530	Q12866	6.102372908709558	7.853871964321762	1.7514990556122036	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	P30530	Q12866	6.585026652029182	8.2839966563652	1.6989700043360187	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)n4ccnc4	P30530	Q12866	6.443697499232713	8.012054431799104	1.5683569325663909	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)C(F)(F)F	P30530	Q12866	4.779891911959945	6.638272163982407	1.858380252022462	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)CN4CCOCC4	P30530	Q12866	6.431798275933005	8.173925197299173	1.742126921366168	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)F	P30530	Q12866	5.769551078621726	7.638272163982407	1.868721085360681	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)N4CCOCC4	P30530	Q12866	6.2441251443275085	7.853871964321762	1.6097468199942533	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)OC	P30530	Q12866	6.055517327849832	7.823908740944319	1.7683914130944869	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	6.275724130399211	8.200659450546418	1.924935320147207	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3cccc(c3)OC	P30530	Q12866	5.769551078621726	7.5376020021010435	1.7680509234793176	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccccc3OC	P30530	Q12866	5.42021640338319	7.4089353929735005	1.9887189895903106	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cc(ccn3)CN4CCOCC4	P30530	Q12866	6.031517051446065	7.920818753952375	1.8893017025063097	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cc3)F	P30530	Q12866	4.5376020021010435	6.022276394711152	1.484674392610109	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)C(=O)NC4CCN(CC4)C	P30530	Q12866	7.214670164989233	9.161150909262744	1.9464807442735115	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN(C)C	P30530	Q12866	7.200659450546419	8.769551078621726	1.5688916280753071	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCC(CC4)(F)F	P30530	Q12866	6.886056647693163	8.958607314841775	2.0725506671486116	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCN(CC4)C	P30530	Q12866	6.585026652029182	8.4089353929735	1.8239087409443187	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCOCC4	P30530	Q12866	6.568636235841013	8.389162501464615	1.8205262656236014	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CC4	P30530	Q12866	7.075720713938118	8.886056647693163	1.810335933755045	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CCCCC4	P30530	Q12866	7.42021640338319	9.161150909262744	1.7409345058795545	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNCCO	P30530	Q12866	7.154901959985743	9.09151498112135	1.9366130211356065	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)F	P30530	Q12866	6.337242168318426	8.200659450546418	1.8634172822279922	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)N4CCN(CC4)C	P30530	Q12866	6.7447274948966935	8.55284196865778	1.808114473761087	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)NC(=O)C4CCN(CC4)C	P30530	Q12866	6.769551078621726	8.468521082957745	1.6989700043360187	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)S(=O)(=O)N4CCOCC4	P30530	Q12866	7.142667503568732	9.154901959985743	2.012234456417011	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	5.94692155651658	7.769551078621726	1.8226295221051458	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cccnc3	P30530	Q12866	4.790484985457369	6.2441251443275085	1.4536401588701393	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	4.8996294548824375	6.479303657420887	1.5796742025384498	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	4.97061622231479	7.2076083105017466	2.2369920881869563	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NC2CCNCC2)c3ccccn3	P30530	Q12866	5.801342913045578	7.468521082957745	1.6671781699121668	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)C(=O)Nc3ccc(cc3)F	P30530	Q12866	5.698970004336019	7.3979400086720375	1.6989700043360187	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)c3ccccn3	P30530	Q12866	6.167491087293763	7.7447274948966935	1.5772364076029302	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCC2CCCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	4.853871964321762	6.853871964321762	2.0	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.327902142064283	7.431798275933005	2.103896133868722	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCC2CCNCC2)c3ccccn3	P30530	Q12866	5.892790030352131	7.142667503568732	1.2498774732166007	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCCCCO)c2ccccn2	P30530	Q12866	4.681936665037238	6.221848749616356	1.539912084579118	Same Family
[P30530, Q12866]	CCCCNc1ncc(c(n1)NCCCO)c2ccccn2	P30530	Q12866	5.004803708402821	5.94692155651658	0.9421178481137593	Same Family
[P30530, Q12866]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(c(c4)F)S(=O)(=O)N5CCN(CC5)C	P30530	Q12866	7.657577319177793	9.244125144327509	1.5865478251497152	Same Family
[P30530, Q12866]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	P30530	Q12866	7.383756066823507	8.849702258055018	1.4659461912315113	Same Family
[P30530, Q12866]	CCCCNc1ncc2c(nn(c2n1)C3CCC(CC3)O)c4ccc(cc4)S(=O)(=O)N5CCOCC5	P30530	Q12866	7.070581074285707	8.958607314841775	1.8880262405560675	Same Family
[P30530, Q12866]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	6.214670164989233	7.958607314841775	1.7439371498525418	Same Family
[P30530, Q12866]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	5.209011524911184	7.301029995663981	2.092018470752797	Same Family
[P30530, Q12866]	CCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	6.107905397309519	7.431798275933005	1.3238928786234858	Same Family
[P30530, Q12866]	CCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	5.452225294612178	6.769551078621726	1.3173257840095483	Same Family
[P30530, Q12866]	CN1CCN(CC1)Cc2ccc(cc2)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P30530	Q12866	7.823908740944319	8.886056647693163	1.0621479067488444	Same Family
[P30530, Q12866]	CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2)F)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	P30530	Q12866	7.494850021680094	8.795880017344075	1.3010299956639813	Same Family
[P30530, Q12866]	CNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.920818753952375	6.823908740944319	0.9030899869919438	Same Family
[P30530, Q12866]	CNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	P30530	Q12866	5.406713932979542	6.267606240177032	0.8608923071974894	Same Family
[P30530, Q12866]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P30530	Q12866	7.214670164989233	6.8996294548824375	0.31504071010679535	Same Family
[P30530, Q12866]	COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	P30530	Q12866	5.2441251443275085	5.329754146925876	0.0856290025983677	Same Family
[P30530, Q12866]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	P30530	Q12866	5.494850021680094	5.716698771296451	0.22184874961635703	Same Family
[P30530, Q12866]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	P30530	Q12866	5.399027104313252	6.110698297493689	0.7116711931804378	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)N)S(=O)(=O)N4CCOCC4	P30530	Q12866	4.779891911959945	5.619788758288394	0.8398968463284486	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4)S(=O)(=O)N5CCOCC5	P30530	Q12866	5.045757490560675	7.327902142064283	2.282144651503608	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCOCC4)S(=O)(=O)N5CCOCC5	P30530	Q12866	5.130768280269024	6.7447274948966935	1.6139592146276698	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCC4CC4)S(=O)(=O)N5CCOCC5	P30530	Q12866	6.522878745280337	8.136677139879543	1.6137983945992058	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCC(F)(F)F)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.2441251443275085	7.0655015487564325	1.821376404428924	Same Family
[P30530, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCO)S(=O)(=O)N4CCOCC4	P30530	Q12866	5.366531544420414	7.229147988357856	1.8626164439374424	Same Family
[P30530, Q12866]	c1ccc(cc1)CCNc2ncc(c(n2)NC3CCC(CC3)O)c4ccccn4	P30530	Q12866	6.366531544420414	7.853871964321762	1.487340419901348	Same Family
[P30530, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4	P30530	Q12866	4.692503962086787	7.080921907623926	2.388417945537139	Same Family
[P30530, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCCO	P30530	Q12866	5.460923901207224	7.356547323513813	1.8956234223065893	Same Family
[P30530, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCO	P30530	Q12866	4.823908740944319	6.657577319177793	1.8336685782334747	Same Family
[P30530, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCO	P30530	Q12866	4.732828271596986	6.494850021680094	1.7620217500831075	Same Family
[Q16288, Q16620]	CN(Cc1ccccc1)c2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q16620	Q16288	6.886056647693163	7.698970004336019	0.8129133566428557	Same Family
[Q16288, Q16620]	CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	Q16620	Q16288	8.522878745280337	8.41195437047216	0.11092437480817807	Same Family
[Q16288, Q16620]	COc1ccccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q16620	Q16288	6.920818753952375	7.1249387366083	0.20411998265592501	Same Family
[Q16288, Q16620]	Cc1c(sc(n1)C(C)(CO)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F	Q16620	Q16288	8.397940008672037	7.7447274948966935	0.653212513775344	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)C2CCCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	Q16620	Q16288	7.301029995663981	7.958607314841775	0.6575773191777934	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5cccc(n5)N6CCC(CC6)O	Q16620	Q16288	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	Q16620	Q16288	8.397940008672037	8.698970004336019	0.30102999566398125	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)C2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	Q16620	Q16288	7.327902142064283	7.721246399047171	0.3933442569828882	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q16620	Q16288	7.6777807052660805	8.221848749616356	0.5440680443502757	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)CO	Q16620	Q16288	7.568636235841013	7.3979400086720375	0.1706962271689756	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)NC(=O)C5CCOCC5	Q16620	Q16288	8.154901959985743	8.522878745280337	0.3679767852945943	Same Family
[Q16288, Q16620]	c1cc(cc(c1)F)CNc2ccc3ncc(n3n2)c4ccc(cc4)S(=O)(=O)N	Q16620	Q16288	7.886056647693163	8.397940008672037	0.5118833609788744	Same Family
[Q16288, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	Q16620	Q16288	6.82477907173247	7.0	0.17522092826752989	Same Family
[Q16288, Q16620]	c1ccc(cc1)CNc2ccc3ncc(n3n2)c4cccc(c4)C#N	Q16620	Q16288	6.698970004336019	6.638272163982407	0.06069784035361181	Same Family
[Q16288, Q16620]	c1ccnc(c1)c2cnc3n2nc(cc3)N4CCCC4c5cccc(c5)F	Q16620	Q16288	9.0	9.0	0.0	Same Family
[Q08345, Q16832]	CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	Q16832	Q08345	8.133803120088515	7.4089353929735005	0.724867727115015	Same Family
[Q08345, Q16832]	CCc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	Q16832	Q08345	6.993962045002683	8.166789119717391	1.172827074714708	Same Family
[Q08345, Q16832]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3ccc(c(c3)C#Cc4cnc5ccnn5c4)Cl)C(F)(F)F	Q16832	Q08345	6.762833417314527	7.997833938243493	1.235000520928966	Same Family
[Q08345, Q16832]	CN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc(c3)C#Cc4cnc5ccnn5c4)C(F)(F)F	Q16832	Q08345	7.0284922182887435	8.153662887870194	1.1251706695814505	Same Family
[Q08345, Q16832]	Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4	Q16832	Q08345	7.454166521202158	7.167491087293763	0.28667543390839434	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCCC5	Q16832	Q08345	6.881536860224634	7.904133546521457	1.022596686296823	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCCCC5	Q16832	Q08345	6.669586226650809	7.425043224235493	0.7554569975846839	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	Q16832	Q08345	6.9975747353220985	8.049148541111453	1.0515738057893547	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCOCC5	Q16832	Q08345	6.110194248131915	7.757210190521324	1.6470159423894088	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)C)C	Q16832	Q08345	6.935542010773082	8.197910742118268	1.2623687313451857	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)CN5CCN(CC5)C)C	Q16832	Q08345	7.430626090384954	8.173277479831007	0.7426513894460536	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)Cl)CN5CCN(CC5)C	Q16832	Q08345	6.987162775294828	7.855737226238009	0.8685744509431812	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cc(cc(c4)OC)CN5CCN(CC5)C	Q16832	Q08345	6.903089986991944	7.876148359032914	0.9730583720409705	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)C(F)(F)F	Q16832	Q08345	7.131708311982145	8.211831628858832	1.080123316876687	Same Family
[Q08345, Q16832]	Cc1ccc(cc1C#Cc2cnc3ccnn3c2)C(=O)Nc4cccc(c4)n5cc(nc5)C	Q16832	Q08345	5.6439741428068775	6.412850501745656	0.7688763589387788	Same Family
[Q08345, Q16832]	Cc1ccc(cc1N)Nc2ncc(c(n2)NC)C(=O)Nc3cc(ccc3C)NC(=O)c4cccc(c4)C(F)(F)F	Q16832	Q08345	6.34008379993015	6.534617148551582	0.194533348621432	Same Family
[Q08345, Q16832]	Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	Q16832	Q08345	6.170696227168975	6.4723700991286615	0.30167387195968676	Same Family
[Q08345, Q16832]	c1ccc(cc1)NC(=O)NCc2cccc(c2)NC(=O)c3cnc4n3cccc4	Q16832	Q08345	6.552841968657781	6.823908740944319	0.2710667722865381	Same Family
[P15056, Q59H18]	CC(C)Cc1c[nH]c2c1c(ncn2)Nc3cccc(c3)S(=O)(=O)NC	P15056	Q59H18	7.3979400086720375	6.8996294548824375	0.4983105537896	Different Family
[P15056, Q59H18]	CC(C)Oc1cc2c(cc1OC)c(ncn2)Nc3cc(ccc3OCC(F)(F)F)S(=O)(=O)NC	P15056	Q59H18	4.494850021680094	6.886056647693163	2.3912066260130693	Different Family
[P15056, Q59H18]	CC(C)c1c[nH]c2c1c(ncn2)Nc3cccc(c3)S(=O)(=O)NC	P15056	Q59H18	7.102372908709558	6.8996294548824375	0.20274345382712067	Different Family
[P15056, Q59H18]	CCOc1cc2c(cc1OC)c(ncn2)Nc3cc(ccc3OCC(F)(F)F)S(=O)(=O)NC	P15056	Q59H18	7.0	7.593543321678572	0.5935433216785722	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N(C)C	P15056	Q59H18	9.698970004336019	9.154901959985743	0.5440680443502757	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4	P15056	Q59H18	9.301029995663981	8.200659450546418	1.1003705451175634	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(cc(c(c3OC)OC)OC)ncn2)OCC(F)(F)F	P15056	Q59H18	7.102372908709558	7.200659450546419	0.09828654183686059	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(cc(cc3OC)OC)ncn2)N(C)C	P15056	Q59H18	7.102372908709558	8.0	0.8976270912904418	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(cc(cc3OC)OC)ncn2)OCC(F)(F)F	P15056	Q59H18	7.301029995663981	7.886056647693163	0.5850266520291818	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(ccn3C)ncn2)N(C)C	P15056	Q59H18	6.886056647693163	7.548455006504028	0.6623983588108651	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(ccs3)ncn2)N(C)C	P15056	Q59H18	6.0	6.698970004336019	0.6989700043360187	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc([nH]c3ncn2)Br)N(C)C	P15056	Q59H18	8.200659450546418	7.3979400086720375	0.8027194418743804	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc([nH]c3ncn2)Br)N4CCOCC4	P15056	Q59H18	8.096910013008056	6.6498731914043745	1.4470368216036817	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc([nH]c3ncn2)c4cccc(c4)C(F)(F)F)N(C)C	P15056	Q59H18	9.221848749616356	7.840968332518619	1.3808804170977371	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc([nH]c3ncn2)c4cccc(c4)C(F)(F)F)N5CCOCC5	P15056	Q59H18	8.886056647693163	7.8979400086720375	0.9881166390211256	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc(c(cc3ncn2)OC)OC)N(C)C	P15056	Q59H18	6.0	7.301029995663981	1.3010299956639813	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc(c(cc3ncn2)OC)OC)OCC(F)(F)F	P15056	Q59H18	6.886056647693163	7.198970004336019	0.3129133566428557	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc(ccc3ncn2)N)N(C)C	P15056	Q59H18	6.200659450546418	7.494850021680094	1.2941905711336759	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc(ccc3ncn2)OC)N(C)C	P15056	Q59H18	6.0	7.102372908709558	1.1023729087095582	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc[nH]c3ncn2)Cl	P15056	Q59H18	7.494850021680094	7.698970004336019	0.20411998265592501	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc[nH]c3ncn2)N(C)C	P15056	Q59H18	8.221848749616356	7.301029995663981	0.9208187539523749	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3cc[nH]c3ncn2)N4CCOCC4	P15056	Q59H18	8.096910013008056	7.198970004336019	0.8979400086720375	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3ccc(cc3ncn2)N)N(C)C	P15056	Q59H18	5.3979400086720375	7.200659450546419	1.8027194418743813	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3ccc(cc3ncn2)OCCCN4CCOCC4)N(C)C	P15056	Q59H18	5.6020599913279625	7.6020599913279625	2.0	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3ccc(cc3ncn2)OCCCN4CCOCC4)OCC(F)(F)F	P15056	Q59H18	5.886056647693163	7.494214778201361	1.6081581305081976	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3ccc(cc3ncn2)OCCCOC)N(C)C	P15056	Q59H18	6.096910013008056	7.6020599913279625	1.5051499783199063	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1ccc(c(c1)Nc2c3ccccc3ncn2)N(C)C	P15056	Q59H18	6.6020599913279625	6.698970004336019	0.09691001300805624	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2	P15056	Q59H18	7.494850021680094	6.301029995663981	1.1938200260161125	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)Br	P15056	Q59H18	8.301029995663981	7.494850021680094	0.8061799739838875	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)Cl	P15056	Q59H18	7.886056647693163	7.494850021680094	0.3912066260130693	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)F	P15056	Q59H18	7.102372908709558	6.8928430512878	0.20952985742175834	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccc(cc4)C(=O)O	P15056	Q59H18	7.795880017344075	7.0	0.795880017344075	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccc(cc4)CN	P15056	Q59H18	8.221848749616356	7.494850021680094	0.7269987279362624	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccc(cc4)Cl	P15056	Q59H18	8.397940008672037	7.0	1.3979400086720375	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccc(cc4)OC	P15056	Q59H18	8.397940008672037	7.301029995663981	1.0969100130080562	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4cccc(c4)Cl	P15056	Q59H18	9.0	7.200659450546419	1.7993405494535812	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccccc4	P15056	Q59H18	8.397940008672037	7.3979400086720375	1.0	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccccc4Cl	P15056	Q59H18	8.0	7.3979400086720375	0.6020599913279625	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c(c[nH]c3ncn2)c4ccncc4	P15056	Q59H18	7.494850021680094	7.0	0.49485002168009373	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3c4ccccc4[nH]c3ncn2	P15056	Q59H18	7.3979400086720375	7.0	0.3979400086720375	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)Br	P15056	Q59H18	7.795880017344075	7.301029995663981	0.49485002168009373	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)C(=O)O	P15056	Q59H18	7.3979400086720375	6.795880017344075	0.6020599913279625	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)c4ccc(cc4)O	P15056	Q59H18	9.0	7.886056647693163	1.113943352306837	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)c4cccc(c4)C(F)(F)F	P15056	Q59H18	8.221848749616356	7.200659450546419	1.0211892990699374	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)c4ccccc4	P15056	Q59H18	9.0	7.6020599913279625	1.3979400086720375	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc([nH]c3ncn2)c4ccncc4	P15056	Q59H18	9.0	7.698970004336019	1.3010299956639813	Different Family
[P15056, Q59H18]	CNS(=O)(=O)c1cccc(c1)Nc2c3cc[nH]c3ncn2	P15056	Q59H18	7.301029995663981	7.096910013008056	0.20411998265592501	Different Family
[P15056, Q59H18]	CNc1ccc(cc1Nc2c3cc[nH]c3ncn2)S(=O)(=O)NC	P15056	Q59H18	6.0	5.200659450546418	0.7993405494535821	Different Family
[P15056, Q59H18]	CNc1ccc2c(c1)c(ncn2)Nc3cc(ccc3N(C)C)S(=O)(=O)NC	P15056	Q59H18	6.0	7.301029995663981	1.3010299956639813	Different Family
[P15056, Q59H18]	CNc1ccc2c(c1)ncnc2Nc3cc(ccc3N(C)C)S(=O)(=O)NC	P15056	Q59H18	5.0	7.3979400086720375	2.3979400086720375	Different Family
[P15056, Q59H18]	Cc1c[nH]c2c1c(ncn2)Nc3cc(ccc3N(C)C)S(=O)(=O)NC	P15056	Q59H18	9.301029995663981	8.795880017344075	0.5051499783199063	Different Family
[P15056, Q59H18]	Cc1c[nH]c2c1c(ncn2)Nc3cc(ccc3N4CCOCC4)S(=O)(=O)NC	P15056	Q59H18	8.886056647693163	7.994214778201361	0.8918418694918024	Different Family
[P15056, Q59H18]	Cc1c[nH]c2c1c(ncn2)Nc3cccc(c3)S(=O)(=O)NC	P15056	Q59H18	7.200659450546419	7.3979400086720375	0.19728055812561873	Different Family
[P15056, Q59H18]	Cc1ccc(cc1)c2cc3c([nH]2)ncnc3Nc4cccc(c4)S(=O)(=O)NC	P15056	Q59H18	9.0	7.886056647693163	1.113943352306837	Different Family
[P15056, Q59H18]	Cc1cccc(c1)c2cc3c([nH]2)ncnc3Nc4cccc(c4)S(=O)(=O)NC	P15056	Q59H18	9.0	7.886056647693163	1.113943352306837	Different Family
[P15056, Q59H18]	Cc1ccccc1c2cc3c([nH]2)ncnc3Nc4cccc(c4)S(=O)(=O)NC	P15056	Q59H18	8.221848749616356	7.886056647693163	0.3357921019231931	Different Family
[P36894, Q04771]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P36894	Q04771	5.3677452233152865	4.99978290702777	0.3679623162875165	Same Family
[P36894, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4c[nH]nc4	P36894	Q04771	7.3872161432802645	6.958607314841775	0.4286088284384899	Same Family
[P36894, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4cccc5c4cccn5	P36894	Q04771	4.966576244513051	7.494850021680094	2.528273777167043	Same Family
[P36894, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P36894	Q04771	8.168770306132936	7.47755576649368	0.6912145396392564	Same Family
[P36894, Q04771]	Cc1c(cc(cn1)c2ccc(cc2)N3CCNCC3)c4cc(c(c(c4)OC)OC)OC	P36894	Q04771	5.931443104927637	7.594212497064703	1.6627693921370659	Same Family
[P36894, Q04771]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P36894	Q04771	6.268411234813262	7.581698708680254	1.3132874738669926	Same Family
[P36894, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P36894	Q04771	7.259637310505756	7.366531544420414	0.10689423391465791	Same Family
[P36894, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P36894	Q04771	7.982966660701219	7.272458742971444	0.7105079177297755	Same Family
[P36894, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	P36894	Q04771	7.022276394711152	7.000070584323883	0.022205810387269764	Same Family
[P36894, Q04771]	c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	P36894	Q04771	8.619788758288394	8.920818753952375	0.30102999566398125	Same Family
[P37023, Q04771]	CC(C)Oc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P37023	Q04771	7.568636235841013	6.983489277658545	0.5851469581824684	Same Family
[P37023, Q04771]	CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	P37023	Q04771	6.070581074285707	4.99978290702777	1.0707981672579372	Same Family
[P37023, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4c[nH]nc4	P37023	Q04771	7.280668713016273	6.958607314841775	0.3220613981744984	Same Family
[P37023, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4cccc5c4cccn5	P37023	Q04771	7.337242168318426	7.494850021680094	0.15760785336166805	Same Family
[P37023, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	P37023	Q04771	7.576754126063192	7.47755576649368	0.09919835956951228	Same Family
[P37023, Q04771]	Cc1c(cc(cn1)c2ccc(cc2)N3CCNCC3)c4cc(c(c(c4)OC)OC)OC	P37023	Q04771	7.568636235841013	7.594212497064703	0.025576261223689833	Same Family
[P37023, Q04771]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P37023	Q04771	7.841637507904751	7.581698708680254	0.25993879922449636	Same Family
[P37023, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	P37023	Q04771	7.259637310505756	7.366531544420414	0.10689423391465791	Same Family
[P37023, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	P37023	Q04771	7.375717904164332	7.272458742971444	0.10325916119288792	Same Family
[P37023, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	P37023	Q04771	6.973466735476704	7.000070584323883	0.026603848847178924	Same Family
[P37023, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	P37023	Q04771	7.876148359032914	7.39040559077478	0.48574276825813456	Same Family
[Q06418, Q12866]	CC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.769551078621726	7.619788758288394	1.8502376796666677	Same Family
[Q06418, Q12866]	CCCC(C)Nc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	6.431798275933005	7.356547323513813	0.924749047580808	Same Family
[Q06418, Q12866]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	4.6595558851598815	7.568636235841013	2.9090803506811316	Same Family
[Q06418, Q12866]	CCCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	6.356547323513812	7.721246399047171	1.364699075533359	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CC(C2)O)c3ccccn3	Q06418	Q12866	5.872895201635193	6.698970004336019	0.826074802700826	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(C2)O)c3ccccn3	Q06418	Q12866	5.863279432843593	6.795880017344075	0.9326005845004817	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)CN)c3ccccn3	Q06418	Q12866	7.236572006437063	8.346787486224656	1.110215479787593	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	6.3979400086720375	8.67778070526608	2.279840696594043	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)N)c3ccccn3	Q06418	Q12866	7.075720713938118	8.744727494896694	1.6690067809585756	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCCCC3	Q06418	Q12866	6.431798275933005	8.096910013008056	1.6651117370750512	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)C(C)C	Q06418	Q12866	6.721246399047171	8.075720713938118	1.3544743148909468	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)c4ncccn4	Q06418	Q12866	6.318758762624412	8.387216143280265	2.068457380655852	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCNCC3	Q06418	Q12866	6.275724130399211	8.045757490560675	1.770033360161464	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCOCC3	Q06418	Q12866	6.267606240177032	7.886056647693163	1.6184504075161312	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCCCC	Q06418	Q12866	5.173925197299174	7.173925197299173	1.9999999999999991	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)F	Q06418	Q12866	6.2441251443275085	7.853871964321762	1.6097468199942533	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	Q06418	Q12866	6.552841968657781	8.2839966563652	1.73115468770742	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)n4ccnc4	Q06418	Q12866	6.6020599913279625	8.012054431799104	1.4099944404711415	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)C(F)(F)F	Q06418	Q12866	4.747146969020107	6.638272163982407	1.8911251949623002	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)CN4CCOCC4	Q06418	Q12866	6.619788758288394	8.173925197299173	1.5541364390107795	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)F	Q06418	Q12866	5.657577319177793	7.638272163982407	1.9806948448046136	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)N4CCOCC4	Q06418	Q12866	6.346787486224656	7.853871964321762	1.5070844780971058	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)OC	Q06418	Q12866	6.180456064458132	7.823908740944319	1.643452676486187	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	6.154901959985743	8.200659450546418	2.045757490560675	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3cccc(c3)OC	Q06418	Q12866	6.080921907623926	7.5376020021010435	1.4566800944771172	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccccc3OC	Q06418	Q12866	5.823908740944319	7.4089353929735005	1.5850266520291818	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cc(ccn3)CN4CCOCC4	Q06418	Q12866	6.0915149811213505	7.920818753952375	1.8293037728310244	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)C(=O)NC4CCN(CC4)C	Q06418	Q12866	7.619788758288394	9.161150909262744	1.5413621509743507	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN(C)C	Q06418	Q12866	7.6777807052660805	8.769551078621726	1.0917703733556454	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCC(CC4)(F)F	Q06418	Q12866	7.443697499232713	8.958607314841775	1.5149098156090615	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCN(CC4)C	Q06418	Q12866	6.958607314841775	8.4089353929735	1.4503280781317258	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CN4CCOCC4	Q06418	Q12866	7.0	8.389162501464615	1.3891625014646145	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CC4	Q06418	Q12866	7.481486060122113	8.886056647693163	1.4045705875710501	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNC4CCCCC4	Q06418	Q12866	7.619788758288394	9.161150909262744	1.5413621509743507	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)CNCCO	Q06418	Q12866	7.6777807052660805	9.09151498112135	1.4137342758552691	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)F	Q06418	Q12866	6.568636235841013	8.200659450546418	1.6320232147054048	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)N4CCN(CC4)C	Q06418	Q12866	7.055517327849832	8.55284196865778	1.4973246408079488	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)NC(=O)C4CCN(CC4)C	Q06418	Q12866	7.026872146400302	8.468521082957745	1.441648936557443	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccc(cn3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	7.552841968657781	9.154901959985743	1.6020599913279625	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cccc(n3)CN4CCOCC4	Q06418	Q12866	6.4089353929735005	7.7447274948966935	1.335792101923193	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	6.200659450546418	7.769551078621726	1.568891628075308	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3cccnc3	Q06418	Q12866	4.931814138253839	6.2441251443275085	1.3123110060736698	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.20446769648675	6.479303657420887	1.274835960934137	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.698970004336019	7.2076083105017466	1.5086383061657278	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NC2CCNCC2)c3ccccn3	Q06418	Q12866	6.366531544420414	7.468521082957745	1.1019895385373308	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)C(=O)Nc3ccc(cc3)F	Q06418	Q12866	6.045757490560675	7.3979400086720375	1.3521825181113627	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCC2CCC(CC2)N)c3ccccn3	Q06418	Q12866	6.769551078621726	7.7447274948966935	0.9751764162749677	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCC2CCCNC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.795880017344075	6.853871964321762	1.0579919469776868	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCC2CCNCC2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	6.2076083105017466	7.431798275933005	1.2241899654312585	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCC2CCNCC2)c3ccccn3	Q06418	Q12866	6.4089353929735005	7.142667503568732	0.7337321105952315	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCCCCO)c2ccccn2	Q06418	Q12866	5.391473966422806	6.221848749616356	0.83037478319355	Same Family
[Q06418, Q12866]	CCCCNc1ncc(c(n1)NCCCO)c2ccccn2	Q06418	Q12866	5.308918507877031	5.94692155651658	0.6380030486395487	Same Family
[Q06418, Q12866]	CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(c(c4)F)S(=O)(=O)N5CCN(CC5)C	Q06418	Q12866	7.481486060122113	9.244125144327509	1.7626390842053956	Same Family
[Q06418, Q12866]	CCCCNc1ncc2c(nn(c2n1)C3CCC(CC3)O)c4ccc(cc4)S(=O)(=O)N5CCOCC5	Q06418	Q12866	7.221848749616356	8.958607314841775	1.7367585652254185	Same Family
[Q06418, Q12866]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.920818753952375	7.958607314841775	2.0377885608893997	Same Family
[Q06418, Q12866]	CCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	5.798602875679548	7.301029995663981	1.502427119984433	Same Family
[Q06418, Q12866]	CCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4	Q06418	Q12866	4.790484985457369	7.431798275933005	2.641313290475636	Same Family
[Q06418, Q12866]	CCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	5.58838029403677	6.769551078621726	1.181170784584956	Same Family
[Q06418, Q12866]	CN1CCN(CC1)Cc2ccc(cc2)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	Q06418	Q12866	7.769551078621726	8.886056647693163	1.1165055690714372	Same Family
[Q06418, Q12866]	CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2)F)c3cn(c4c3cnc(n4)NCCC5CC5)C6CCC(CC6)O	Q06418	Q12866	7.346787486224656	8.795880017344075	1.449092531119419	Same Family
[Q06418, Q12866]	CNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	Q06418	Q12866	5.164309428507575	6.267606240177032	1.1032968116694573	Same Family
[Q06418, Q12866]	COc1ccc(cc1OC)CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	Q06418	Q12866	6.568636235841013	6.8996294548824375	0.3309932190414244	Same Family
[Q06418, Q12866]	COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	Q06418	Q12866	6.3979400086720375	5.329754146925876	1.0681858617461613	Same Family
[Q06418, Q12866]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl	Q06418	Q12866	6.4467345730888095	5.716698771296451	0.7300358017923587	Same Family
[Q06418, Q12866]	c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	Q06418	Q12866	7.154901959985743	6.110698297493689	1.0442036624920537	Same Family
[Q06418, Q12866]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCC(CC6)O	Q06418	Q12866	5.301029995663981	5.292429823902063	0.008600171761917963	Same Family
[Q06418, Q12866]	c1cc(cc(c1)F)C2CCCN2c3ccc4ncc(n4n3)c5ccnc(c5)N6CCN(CC6)CC(=O)O	Q06418	Q12866	5.2839966563652006	5.327902142064283	0.04390548569908237	Same Family
[Q06418, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4)S(=O)(=O)N5CCOCC5	Q06418	Q12866	5.366531544420414	7.327902142064283	1.9613705976438691	Same Family
[Q06418, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NC4CCOCC4)S(=O)(=O)N5CCOCC5	Q06418	Q12866	5.638272163982407	6.7447274948966935	1.1064553309142866	Same Family
[Q06418, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCC4CC4)S(=O)(=O)N5CCOCC5	Q06418	Q12866	6.026872146400302	8.136677139879543	2.1098049934792416	Same Family
[Q06418, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCC(F)(F)F)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.292429823902063	7.0655015487564325	1.7730717248543693	Same Family
[Q06418, Q12866]	c1cc(ccc1NC(=O)c2cnc(nc2NC3CCC(CC3)O)NCCCO)S(=O)(=O)N4CCOCC4	Q06418	Q12866	5.173925197299174	7.229147988357856	2.055222791058682	Same Family
[Q06418, Q12866]	c1ccc(cc1)CCNc2ncc(c(n2)NC3CCC(CC3)O)c4ccccn4	Q06418	Q12866	7.096910013008056	7.853871964321762	0.7569619513137056	Same Family
[Q06418, Q12866]	c1ccc(cc1)CNc2ncc(c(n2)NC3CCC(CC3)O)c4ccccn4	Q06418	Q12866	6.522878745280337	6.958607314841775	0.43572856956143724	Same Family
[Q06418, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NC4CCCCC4	Q06418	Q12866	5.935542010773082	7.080921907623926	1.1453798968508444	Same Family
[Q06418, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCCO	Q06418	Q12866	5.533132379645891	7.356547323513813	1.8234149438679221	Same Family
[Q06418, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCCO	Q06418	Q12866	5.211831628858833	6.657577319177793	1.4457456903189607	Same Family
[Q06418, Q12866]	c1ccnc(c1)c2cnc(nc2NC3CCC(CC3)O)NCCO	Q06418	Q12866	5.048662481204082	6.494850021680094	1.4461875404760116	Same Family
[O00238, Q04771]	CC(C)Oc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	O00238	Q04771	7.3223930472795065	6.983489277658545	0.3389037696209618	Same Family
[O00238, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4c[nH]nc4	O00238	Q04771	6.991399828238082	6.958607314841775	0.0327925133963074	Same Family
[O00238, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4cccc5c4cccn5	O00238	Q04771	5.007446482167865	7.494850021680094	2.487403539512229	Same Family
[O00238, Q04771]	COc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5c4cccc5	O00238	Q04771	7.244887733604929	7.47755576649368	0.2326680328887507	Same Family
[O00238, Q04771]	c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	O00238	Q04771	7.031984286006359	7.581698708680254	0.5497144226738957	Same Family
[O00238, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCNCC5	O00238	Q04771	6.889410289700751	7.366531544420414	0.4771212547196626	Same Family
[O00238, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4c[nH]nc4)N5CCOCC5	O00238	Q04771	7.215382707367125	7.272458742971444	0.05707603560431895	Same Family
[O00238, Q04771]	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	O00238	Q04771	6.479807628581076	7.000070584323883	0.5202629557428065	Same Family
[O00238, Q04771]	c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	O00238	Q04771	7.221848749616356	7.39040559077478	0.1685568411584235	Same Family
[O00238, Q04771]	c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	O00238	Q04771	5.886056647693163	8.920818753952375	3.034762106259212	Same Family