smiles	value	ref	endpoint
N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)O)CCCNC(=N)N)Cc2ccccc2)CO)CC(=O)N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC1=O)CC(C)C)CO)CCC(=O)N)[C@@H](C)CC)CCCNC(=N)N)CC(=O)O)CCSC)CCCNC(=N)N)Cc1ccccc1	1.404833716619938	Lombardo	logCL
c1cn(c(=O)nc1N)[C@H]2CO[C@H](S2)CO	0.47712125471966244	Lombardo	logCL
c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](S2)CO	0.5910646070264992	Lombardo	logCL
O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O	0.9395192526186185	Lombardo	logCL
C1([C@@H]2[C@@]3([C@@]([C@@H]4[C@@H]([C@@]5(CC[C@@H](O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O[C@@H]6O[C@@H](C)[C@@H]([C@@H](C6)O)O)C[C@@H]5CC4)C)CC3)(C[C@@H]2OC(=O)C)O)C)=CC(=O)OC1	-0.744727494896694	Lombardo	logCL
[H]N([H])C1(CC1)C(=O)O[H]	0.17609125905568124	Lombardo	logCL
C1[C@@](C[C@H]([C@H]([C@@H]1OC(\C=C\c1cc(c(cc1)O)O)=O)OC(\C=C\c1cc(c(cc1)O)O)=O)O)(C(=O)O)O	1.5388249889379038	Lombardo	logCL
O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3	1.8797264966395772	Lombardo	logCL
N([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O[C@@H]2[C@@H](CC[C@@H](O2)[C@@H](C)N)N)[C@@H]1O)N)O)O)(C)C(CN)=O	0.1367205671564068	Lombardo	logCL
CC(C)N(CC[C@H](C(C=CC=C1)=C1)C1C(=CC=C(C=1)CO)O)C(C)C		Lombardo	logCL
[H]N([H])c1c2c(c3ccccc3n1)n(CCCCN([H])S(C)(=O)=O)c(CC)n2	0.8864907251724818	Lombardo	logCL
Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1	1.1139433523068367	Lombardo	logCL
COc1cc2CCN(Cc2cc1OC)c3cc(N)c4cc(OC)c(OC)cc4n3	1.146128035678238	Lombardo	logCL
CN(C)Cc1c2ccccc2oc1C(=O)NCCOc3ccc(cc3)C(=O)NO	1.212986184736668	Lombardo	logCL
COC(=O)C1(CC1)OC(=O)c2cncn2[C@H](C)c3ccccc3	1.6996643202023733	Lombardo	logCL
OS(=O)(=O)CCCNC(=O)C	0.5740312677277188	Lombardo	logCL
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]3C=C(CO)[C@@H](O)[C@H](O)[C@H]3O	0.3424226808222063	Lombardo	logCL
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C	1.0	Lombardo	logCL
CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1	0.6020599913279624	Lombardo	logCL
[H]OC1=C(C(=O)Oc2ccccc12)[C@H](CC(C)=O)c1ccc(cc1)[N+]([O-])=O	0.10720996964786837	Lombardo	logCL
CC(=O)Nc1ccc(O)cc1	0.6989700043360189	Lombardo	logCL
CC(=O)Nc1nnc(s1)S(=O)(=O)N	-0.18708664335714442	Lombardo	logCL
CC(=O)N[C@@H](CS)C(=O)O	0.4913616938342727	Lombardo	logCL
CC[C@H](OC(=O)C)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2	0.7323937598229685	Lombardo	logCL
CC(=O)Oc1ccccc1C(=O)O	1.0791812460476249	Lombardo	logCL
CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)O)N	2.9400181550076634	Lombardo	logCL
N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O	-0.16115090926274472	Lombardo	logCL
c1ccc(cc1)OCCC[N+]23CCC(CC2)[C@H](C3)OC(=O)C(c4cccs4)(c5cccs5)O	1.6857417386022637	Lombardo	logCL
CC(C)N(CC[C@@]1(C(N=C(C)N2CCCC[C@H]12)=O)c1ccccc1)C(C)C	0.8318697742805017	Lombardo	logCL
NC1=Nc2c(ncn2COCCO)C(=O)N1	0.6720978579357175	Lombardo	logCL
Nc1ncnc2c1ncn2CCOCP(=O)(O)O	0.568201724066995	Lombardo	logCL
CN(C)Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12	0.7923916894982539	Lombardo	logCL
Cc1c2ccccc2oc1CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4	-0.045757490560675115	Lombardo	logCL
C(c1c(cc(cc1)CC(=O)N[C@@H](CC(C)C)c1c(cccc1)N1CCCCC1)OCC)(=O)O	0.3096301674258988	Lombardo	logCL
CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cccc6)C)[C@@H]4O)O	0.9912260756924949	Lombardo	logCL
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1	0.8920946026904804	Lombardo	logCL
OC\C=C/1\C[N@+]2(CC=C)CC[C@@]34[C@@H]2C[C@@H]1C5=CN6[C@H]7C(=CN([C@H]35)c8ccccc48)[C@H]9C[C@H]%10[C@@]7(CC[N@@+]%10(CC=C)C/C/9=C/CO)c%11ccccc6%11	0.11394335230683679	Lombardo	logCL
CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C	0.8859263398014311	Lombardo	logCL
C(P(O)(O)=O)(P(O)(O)=O)(CCCN)O	0.414973347970818	Lombardo	logCL
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	-0.08618614761628333	Lombardo	logCL
CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O	0.5910646070264992	Lombardo	logCL
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3	0.7708520116421442	Lombardo	logCL
N(c1c(cccc1Cl)Cl)(C=1NCCN1)CC=C	1.0791812460476249	Lombardo	logCL
COc1cc2nn[nH]c2cc1C(=O)NCC3CCCN3CC=C	0.8195439355418687	Lombardo	logCL
O=C1NC=Nc2[nH]ncc12	1.0413926851582251	Lombardo	logCL
C(N1CCN(c2nc(nc(n2)NCC=C)NCC=C)CC1)(c1ccc(F)cc1)c1ccc(F)cc1	-0.01322826573375516	Lombardo	logCL
C(c1ccc(cc1)OC[C@@H](C[N@@](CCC[S@@](=O)CCC)CC)O)#N	1.0530784434834197	Lombardo	logCL
CNC(=O)C(N1CCC2=C(C=C(OC)C(OC)=C2)[C@@H]1CCC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1	1.0086001717619175	Lombardo	logCL
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12	0.9493900066449128	Lombardo	logCL
Cc1[nH]cnc1CN2CCc3c(C2=O)c4ccccc4n3C	0.9395192526186185	Lombardo	logCL
C1C[N@@]([C@@H](C1)CNC(c1c(cc(c(c1)S(NC)(=O)=O)N)OC)=O)CC=C	0.7379873263334308	Lombardo	logCL
Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12	-0.13076828026902382	Lombardo	logCL
CC(C)NCC(O)COc1ccccc1CC=C	1.1760912590556813	Lombardo	logCL
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	1.657055852857104	Lombardo	logCL
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O	0.7664128471123994	Lombardo	logCL
NC12CC3CC(CC(C3)C1)C2	0.6812412373755872	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(=O)O	0.7993405494535817	Lombardo	logCL
c1c(cc([n+](n1)c1ccccc1)OC)N	0.7075701760979364	Lombardo	logCL
c12c(c(c(C(O)=O)cn1NC)=O)cc(F)c(c2)N1CCN(C)CC1	0.658964842664435	Lombardo	logCL
C(SP(O)(O)=O)CNCCCN	1.4864304788544338	Lombardo	logCL
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O	0.04139268515822508	Lombardo	logCL
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O	0.8129133566428556	Lombardo	logCL
NCCCCCC(=O)O	0.3979400086720376	Lombardo	logCL
NCC(CCC(O)=O)=O	0.2741578492636798	Lombardo	logCL
Nc1ccc(O)c(c1)C(=O)O	0.9684829485539351	Lombardo	logCL
CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3	0.2787536009528289	Lombardo	logCL
O1[C@H]2[C@@H]([C@H]([C@H]1[C@H](O)CO)OCCCN(C)C)OC(C)(C)O2	0.541579243946581	Lombardo	logCL
CN(C)CCC=C1c2ccccc2CCc3ccccc13	0.785329835010767	Lombardo	logCL
CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C	0.8450980400142568	Lombardo	logCL
CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl	2.3364597338485296	Lombardo	logCL
c12c3C(N(CCN(C)C)C(c1cccc2cc(c3)N)=O)=O	1.2860071220794747	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O	0.5185139398778874	Lombardo	logCL
CC[C@H](Cc1c(ccs1)Cl)Nc2c3ccn(c3ncn2)[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)NCC	1.0791812460476249	Lombardo	logCL
c1(ccccc1)C[C@H](C)N	0.9867717342662449	Lombardo	logCL
[H]N([H])[C@@H]1[C@@H]([C@@H](O[C@@H]2C[C@H]3[C@H](C(=O)O[H])[C@H](C[C@@](C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@@H](C)[C@H](C)[C@@H]([C@@H](C)C=CC=CC=CC=CC=CC=CC=C2)O[H])O[H])O[H])O[H])O[H])O[H])(O[H])O3)O[H])O[C@H](C)[C@H]1O[H])O[H]	-0.769551078621726	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O	0.4471580313422192	Lombardo	logCL
NC1=CC(=CNC1=O)c2ccncc2	0.9493900066449128	Lombardo	logCL
COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24	0.6334684555795865	Lombardo	logCL
CNC(=O)c1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3OC)c4cccc(C)c4nc12	0.414973347970818	Lombardo	logCL
O1[C@@H](O[C@@H](c2ccccc2)C#N)[C@@H]([C@@H](O)[C@@H]([C@H]1CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)O)O	0.2741578492636798	Lombardo	logCL
CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1	1.0791812460476249	Lombardo	logCL
CCCCCOc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)C(NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)cc7)[C@@H](C)O	-0.6777807052660807	Lombardo	logCL
c1ccc(cc1)CN(CC2=NCCN2)c3ccccc3	1.2938043599193367	Lombardo	logCL
CN1N(C(=O)C=C1C)c2ccccc2	-0.1938200260161128	Lombardo	logCL
O=C(C(C(=C(C(=C1F)N(CCN2C)CC2)OC2)N(C3)[C@H]2C)=C1N)C=3C(O)=O	0.3424226808222063	Lombardo	logCL
[H]N(C([C@@H](c1ccccc1)N([H])C(c1cnc2cccnc2c1O[H])=O)=O)[C@@H]1C2N(C1=O)[C@@H](C(=O)O[H])C(C)(C)S2	0.2787536009528289	Lombardo	logCL
N1(CCc2c(C1=O)n(nc2C(=O)N)c1ccc(cc1)OC)c1ccc(cc1)N1CCCCC1=O	-0.09691001300805639	Lombardo	logCL
c12c3c4c(ccc(c4O)O)C[C@H]1[N@@](CCc2ccc3)C	1.6020599913279623	Lombardo	logCL
CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)CC(=O)C	0.37657695705651195	Lombardo	logCL
C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	0.0	Lombardo	logCL
CN(C)C(=O)c1c(c2cc(ccc2[nH]1)Cl)Cc3cc4c(cc(c(c4o3)OC)OC)Cc5cnc(nc5N)N	0.8744818176994665	Lombardo	logCL
O1[C@H](O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@@H](CC[C@H]2N)CN)N)NC([C@H](CCN)O)=O)[C@H](O)[C@H]([C@@H]([C@H]1CO)O)N	0.10720996964786837	Lombardo	logCL
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3CC(C)CNc23	0.6989700043360189	Lombardo	logCL
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl	-0.08092190762392612	Lombardo	logCL
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	3.0293837776852097	Lombardo	logCL
s1c(C(OC)=O)c(NC([C@@H](C)NCCC)=O)c(c1)C	2.1027766148834415	Lombardo	logCL
c1(c(cc(OC)c(c1)OC)OC)\C=C\C	0.9444826721501687	Lombardo	logCL
[C@H]1(C(=C(C(=O)O1)O)O)[C@H](CO)O	0.021189299069938092	Lombardo	logCL
c12c(cccc1)Oc1ccc(cc1[C@@H]1[C@@H]2CN(C1)C)Cl	1.0934216851622351	Lombardo	logCL
N12[C@@H]([C@@H](NC([C@@H](c3ccc(O)cc3)NC([C@@H](CC(NC)=O)N)=O)=O)C2=O)SC(C)(C)[C@@H]1C(O)=O	0.45024910831936105	Lombardo	logCL
CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]47CC[C@]23C)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O	-0.13076828026902382	Lombardo	logCL
O1[C@@H]([C@@H](CC[C@H]1[C@@H](N)C)N)O[C@@H]1[C@H]([C@@H]([C@H](OC)[C@H](N(C)C(CN)=O)[C@H]1O)O)N	0.1367205671564068	Lombardo	logCL
COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)c5cc(Cl)ccc15	1.0711452904510828	Lombardo	logCL
CC(C)NCC(O)COc1ccc(CC(=O)N)cc1	0.3979400086720376	Lombardo	logCL
[nH]1cncc1C1(Cc2c(C1)cccc2)CC	1.2922560713564761	Lombardo	logCL
CNCC[C@@H](Oc1ccccc1C)c2ccccc2	0.9684829485539351	Lombardo	logCL
OC1=C([C@@H]2CC[C@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O	-0.8239087409443188	Lombardo	logCL
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC	0.7558748556724915	Lombardo	logCL
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3	0.8808135922807914	Lombardo	logCL
COc1c2c(cc(c1N3CCC/C(=C(/CN)\F)/C3)F)c(=O)c(cn2C4CC4)C(=O)O	-0.10790539730951958	Lombardo	logCL
N12C(=O)N([C@H](CC[C@H]1C(=O)N)C2)OS(=O)(=O)O	0.4409090820652177	Lombardo	logCL
CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CCCN3CCN(CC3)c4c(cncn4)OC	0.8088858673598122	Lombardo	logCL
O=S(=O)(c1ncc(cc1)C)Nc1nc(c2ccncc2)nc(c1Oc1ccccc1OC)OC	-0.28399665636520083	Lombardo	logCL
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4	0.6989700043360189	Lombardo	logCL
NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O	1.5440680443502757	Lombardo	logCL
CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C	-0.8538719643217619	Lombardo	logCL
Cc1ccc(cc1)C(=O)N(CCCN)C(c2nc3c(c(ns3)C)c(=O)n2Cc4ccccc4)C(C)C	0.7656685547590141	Lombardo	logCL
CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O	0.9542425094393249	Lombardo	logCL
CN1CCN(CCCCN2C(=O)CN(\N=C\c3oc(cc3)c4ccc(Cl)cc4)C2=O)CC1	0.38021124171160603	Lombardo	logCL
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O	1.0	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2[C@H]1C(=O)O	0.3979400086720376	Lombardo	logCL
C[C@H]1[C@H](NC(=O)\C(=N/OC(C)(C)C(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O	0.17609125905568124	Lombardo	logCL
c1cc(ccc1C(CC(=O)O)CN)C	0.2304489213782739	Lombardo	logCL
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C	1.255272505103306	Lombardo	logCL
Cc1c(nc(n1c2ccc(cc2)F)C)C#Cc3ccnc(c3)Cl	0.4471580313422192	Lombardo	logCL
c1(c(cc(Cl)c(c1)N)C(NCCN(CC)CC)=O)O[C@@H](C(C)=O)C	0.9694159123539814	Lombardo	logCL
[C@@H]12N(C(=O)[C@H](Cc3c4c([nH]c3)cccc4)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CCSSC[C@H](NC1=O)C(=O)N)CCCNC(=N)N)CC(=O)O)CCC2	0.45939248775923086	Lombardo	logCL
c1cc2n(c(c3ccc(cc3)O)c(c2cc1O)C)Cc1ccc(OCCN2CCCCCC2)cc1	0.8260748027008264	Lombardo	logCL
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2	0.4913616938342727	Lombardo	logCL
n1([C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)OC)O)c2c3c(c4C(=O)N(C(c4c2c2c1c(Cl)ccc2)=O)CCN(CC)CC)c1cccc(c1[nH]3)Cl	0.49554433754644844	Lombardo	logCL
CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC	0.12385164096708581	Lombardo	logCL
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C	1.5563025007672873	Lombardo	logCL
c1c(cccc1\C=C\C(NO)=O)S(=O)(=O)Nc1ccccc1	1.3729120029701065	Lombardo	logCL
c12n(C)c(CCCC(=O)O)nc1cc(N(CCCl)CCCl)cc2	0.6522463410033232	Lombardo	logCL
Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34	0.919078092376074	Lombardo	logCL
c1(OCCCN(C)C)c2c(n(n1)Cc1ccccc1)cccc2	0.35793484700045375	Lombardo	logCL
N(c1ccccc1)(C[C@@H](N1CCCC1)COCC(C)C)Cc1ccccc1	0.9395192526186185	Lombardo	logCL
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)OCc6ccccc6	1.2671717284030137	Lombardo	logCL
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	0.4471580313422192	Lombardo	logCL
OC(=O)CCNC(=O)c1ccccc1	0.9637878273455552	Lombardo	logCL
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1	0.5314789170422551	Lombardo	logCL
COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC	0.7403626894942439	Lombardo	logCL
c12c(N(C(=O)[C@H](N1C1CCCC1)CC)C)cnc(n2)Nc1c(cc(C(=O)NC2CCN(CC2)C)cc1)OC	1.2329961103921538	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)[O-])SC3C[n+]4cncn4C3	0.3979400086720376	Lombardo	logCL
[H]N([H])C([C@](CCN1CCCCC1)(CCN(C(C)C)C(C)=O)c1ccccc1[Cl])=O	0.7347998295888469	Lombardo	logCL
C(C(C)(c1ccc(cc1)CCN1CCC(CC1)c1nc2c(n1CCOCC)cccc2)C)(=O)O	0.4578818967339923	Lombardo	logCL
CC(C)(C)C1(O)CC2OC(=O)CC23C(=O)OC4OC(=O)C(O)C134	1.0	Lombardo	logCL
C(\[C@@H]1[C@H]([C@@H](O)C[C@H]1O)C\C=C/CCCC(=O)NCC)=C\[C@H](CCc1ccccc1)O	1.3979400086720377	Lombardo	logCL
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N/N=C/C4CCCCC4)N	1.5538830266438743	Lombardo	logCL
O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](OC)[C@@H](CC3)OCCOCC)C)CC(=O)[C@H](C)/C=C(\C)/[C@@H](O)[C@@H](OC)C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@H]3O[C@](C1=O)(O)[C@H](C)CC3)OC)\C)C)C)CCCC2	1.0863598306747482	Lombardo	logCL
OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4	1.0791812460476249	Lombardo	logCL
N1([C@@H](CCCC1)C(=O)OC(CCCc1cnccc1)CCCc1cnccc1)C(=O)C(c1cc(c(c(c1)OC)OC)OC)=O	0.9294189257142927	Lombardo	logCL
CCN1C[C@H]2CN(C)C[C@@H](C1)C2OC(=O)c3ccc(Cl)cc3	1.2304489213782739	Lombardo	logCL
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1	0.568201724066995	Lombardo	logCL
C([C@H]1N(CCC1)C([C@@H](Cc1ccccc1)N)=O)(=O)N[C@H](C(N1[C@H](C(=O)NCC(=O)NCC(NCC(=O)NCC(=O)N[C@H](C(NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(N[C@H](C(N[C@@H](Cc2ccc(O)cc2)C(N[C@@H](CC(C)C)C(=O)O)=O)=O)CCC(O)=O)=O)CCC(O)=O)[C@H](CC)C)=O)CCC(O)=O)=O)CCC(O)=O)=O)Cc2ccccc2)=O)CC(O)=O)=O)CC(=O)N)=O)CCC1)=O)CCCNC(N)=N	0.9084850188786497	Lombardo	logCL
c12c(N(C(c3cc4cc(NC(Nc5cc6c([nH]c(c6)C(N6c7c(c8c([nH]cc8C)c(c7)O)[C@@H](C6)CCl)=O)cc5)=O)ccc4[nH]3)=O)C[C@H]2CCl)cc(O)c2c1c(c[nH]2)C	-0.3010299956639812	Lombardo	logCL
O([C@H]([C@H](NC(c1nc([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)nc(c1C)N)=O)C(N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCc1nc(c2nc(C(NCCC[S+](C)C)=O)cs2)cs1)=O)[C@@H](C)O)=O)C)O)C)=O)c1c[nH]cn1)[C@@H]1[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H](O)[C@@H](O2)CO)OC(N)=O)O)[C@@H]([C@@H](O)[C@@H](O1)CO)O	0.10037054511756291	Lombardo	logCL
N12[C@@H](C(S[C@@H]2[C@@H](C1=O)NC(=O)[C@@H](c1ccccc1)NC(=O)NC(=N)N)(C)C)C(=O)O	0.2041199826559248	Lombardo	logCL
O=S(=O)(N1Cc2cc(ccc2N(Cc3cnc[nH]3)C[C@H]1Cc4ccccc4)C#N)c5cccs5	0.9822712330395684	Lombardo	logCL
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O	1.2787536009528289	Lombardo	logCL
COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4	0.3222192947339193	Lombardo	logCL
c1cc(c2ccsc2c1)N3CCN(CC3)CCCCOc4ccc5ccc(=O)[nH]c5c4	-0.46852108295774486	Lombardo	logCL
CCC[C@H]1CN([C@@H](CC)C(=O)N)C(=O)C1	-0.12493873660829995	Lombardo	logCL
Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1	-0.2924298239020636	Lombardo	logCL
Nc1c(CC(=O)O)cccc1C(=O)c2ccc(Br)cc2	0.11394335230683679	Lombardo	logCL
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC	1.1139433523068367	Lombardo	logCL
O(C)c1c2c3c(c(c1OC)Br)CCN([C@H]3Cc1cc(c(cc1)OC)Oc1ccc(C[C@H]3c4cc(O2)c(OC)cc4CCN3C)cc1)C	0.9822712330395684	Lombardo	logCL
c1c(cn(c1C(=O)NCC/N=C(/N)N)C)NC(=O)c1n(cc(c1)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)C(=C)Br)C	0.7118072290411911	Lombardo	logCL
Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12	0.3010299956639812	Lombardo	logCL
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	1.3010299956639813	Lombardo	logCL
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1	0.7481880270062004	Lombardo	logCL
CCc1cccc2cc(oc12)C(O)CNC(C)(C)C	0.9493900066449128	Lombardo	logCL
CCCCN1CCCC1C(=O)Nc2c(cc(cc2C)C)C	1.2830749747354715	Lombardo	logCL
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O	0.3979400086720376	Lombardo	logCL
CCCC(=O)N1CCCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2	0.6812412373755872	Lombardo	logCL
CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C	0.6334684555795865	Lombardo	logCL
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56	1.2787536009528289	Lombardo	logCL
CS(=O)(=O)OCCCCOS(=O)(=O)C	0.38021124171160603	Lombardo	logCL
C([S@@](CCCC)(=N)=O)C[C@@H](C(O)=O)N	0.35793484700045375	Lombardo	logCL
Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]5(CCCC[C@@]35O)c2c1	1.6127838567197355	Lombardo	logCL
CCCCNC(=N)NC(=N)N	0.8182258936139555	Lombardo	logCL
C1(C2=C([C@H](C[C@]1([C@H]([C@H]1[C@](C(=O)[C@@H]2OC)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)OC)C)OC(=O)c1ccccc1)O)OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C)(C)C	1.0413926851582251	Lombardo	logCL
n1(cc(c(c2cc(c(c(c12)OC(F)F)N1C[C@@H](NCC1)C)F)=O)C(=O)O)C1CC1	0.43136376415898736	Lombardo	logCL
CN1C(=O)N(C)c2ncn(C)c2C1=O	0.146128035678238	Lombardo	logCL
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CS)N	1.0	Lombardo	logCL
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	-0.5086383061657274	Lombardo	logCL
Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	0.437750562820388	Lombardo	logCL
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O	-0.431798275933005	Lombardo	logCL
[H]N(C1CCC(CC1)C(=O)O[H])C(C1(CCCC1)CC[C@@H](COCOC)C(=O)O[H])=O	0.36172783601759284	Lombardo	logCL
CSCCNc1nc(SCCC(F)(F)F)nc2n([C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO[P@@](O[P@@](O)(=O)C(Cl)(P(O)(O)=O)Cl)(O)=O)cnc12	0.9571281976768131	Lombardo	logCL
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1	1.1319392952104246	Lombardo	logCL
c12c3c(OC(c1ccc(c2)C)(C)C)cc(CCCCC)cc3O	1.251638220448212	Lombardo	logCL
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	1.0791812460476249	Lombardo	logCL
c1(c(OC)cc2c(c1)c(nnc2)N1CCC(CC1)OC(NCC)=O)OC	1.575187844927661	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	0.2787536009528289	Lombardo	logCL
N[Pt+2]1(N)[O-]C(=O)C2(CCC2)C(=O)[O-]1	0.17609125905568124	Lombardo	logCL
C1C(CCN(C1)CCCC(c1ccc(C(C(=O)O)(C)C)cc1)=O)OC(c1ccccc1)c1ccccc1	-0.3979400086720376	Lombardo	logCL
C1O[C@]1(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)=O)CC(C)C)=O)Cc1ccccc1)=O)CC(C)C)=O)C	1.5965970956264601	Lombardo	logCL
ClCCNC(=O)N(CCCl)N=O	1.8920946026904804	Lombardo	logCL
C([N+](C)(C)C)[C@@H](CC(=O)[O-])O	0.2041199826559248	Lombardo	logCL
C1CCN(C1)CCOc1c(OC)c2occc2c(c1NC(NC)=O)OC	0.505149978319906	Lombardo	logCL
CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	-0.2924298239020636	Lombardo	logCL
c12c(cccc1OC[C@@H](CNC(C)(C)C)O)NC(=O)CC2	1.0043213737826426	Lombardo	logCL
NC(=O)OC[C@@H]1[C@H](NC(=O)\C(=N/OCC(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O	0.17609125905568124	Lombardo	logCL
COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23	0.8920946026904804	Lombardo	logCL
c1(N(CC)CC)cc2oc(C(Nc3ccc4c(c3)cc([nH]4)C(N3C[C@H](c4c5c([nH]cc5C)c(OC(=O)Nc5ccccc5)cc34)CCl)=O)=O)cc2cc1	0.4623979978989561	Lombardo	logCL
c1(cc(cc(c1)[C@H](N(C(=O)N1CC[C@@H](C[C@@H]1c1c(cc(cc1)F)C)N1CCN(CC1)C(=O)C)C)C)C(F)(F)F)C(F)(F)F	0.48713837547718647	Lombardo	logCL
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(NCCN)NC(=O)C2C(O)CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(O)CN3C(=O)C(NC1=O)C(C)O)C(O)C(O)c4ccc(O)cc4)C(O)CCN	-0.8538719643217619	Lombardo	logCL
CN(C)N=Nc1ccc(cc1)C(=O)O	0.11394335230683679	Lombardo	logCL
C([C@H]1c2c(cc(c(c2)O)O)CCN1)c1c2c(ccc1)cccc2	2.1931245983544616	Lombardo	logCL
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O	0.3979400086720376	Lombardo	logCL
Cn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O	0.5563025007672873	Lombardo	logCL
N[C@@H](C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3)c4ccc(O)cc4	0.5185139398778874	Lombardo	logCL
c1(nnc(s1)C)SCC=1CS[C@H]2N(C1C(O)=O)C([C@H]2NC(Cn1cc(c(c(c1)Cl)=O)Cl)=O)=O	-0.022276394711152253	Lombardo	logCL
Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1	-0.05060999335508721	Lombardo	logCL
CCN1CCN(C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@]2(OC)[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)C(=O)C1=O	0.04139268515822508	Lombardo	logCL
Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@H](O)c4ccccc4)C3=O)C(=O)O)s1	0.414973347970818	Lombardo	logCL
[H]N([H])C(C12CC[N+](CC1)(CC2)CC1CSC2[C@@H](C(N2C=1C(=O)O[H])=O)N([H])C(C(c1nc(N([H])[H])sn1)=NOC)=O)=O	0.2304489213782739	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]3(C)CCCC3)\c4csc(N)n4	0.3424226808222063	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C)\c3csc(N)n3	0.2787536009528289	Lombardo	logCL
Nc1nc(cs1)\C(=N\OCC(=O)O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C	0.0	Lombardo	logCL
N12[C@@H]([C@@H](NC(\C(c3csc(n3)N)=N/OC)=O)C2=O)SCC(=C1C(O)=O)CSc1n(nnn1)C	0.5622928644564748	Lombardo	logCL
CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C	0.17609125905568124	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nc(C)c(CC(=O)O)s3)\c4csc(N)n4	-0.21467016498923297	Lombardo	logCL
N12[C@@H]([C@@H](NC([C@@H](c3ccccc3)O)=O)C2=O)SCC(=C1C(O)=O)CSc1n(nnn1)CS(O)(=O)=O	-0.42021640338318983	Lombardo	logCL
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O	0.11394335230683679	Lombardo	logCL
NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O	-0.1804560644581313	Lombardo	logCL
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C([O-])=O)C[n+]1ccc(N)n1CCO)c1csc(n1)N	0.24797326636180664	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)\c3csc(N)n3	0.43136376415898736	Lombardo	logCL
CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C	-0.37675070960209955	Lombardo	logCL
CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O	0.7634279935629372	Lombardo	logCL
CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N	0.5563025007672873	Lombardo	logCL
[H]N([H])c1nc(C(C(N([H])[C@H]2C(N3C(=C(CN4C=CN5C4=CC=C[N-]5)CS[C@H]23)C(=O)O[H])=O)=O)=NOC)ns1	0.3222192947339193	Lombardo	logCL
[H]N(C([C@@H](c1ccccc1)N([H])C(c1c(C(=O)O[H])ncn1[H])=O)=O)[C@@H]1C2N(C(=C(C[n+]3ccc(CCS(=O)(=O)O[H])cc3)CS2)C(=O)O[H])C1=O	0.2304489213782739	Lombardo	logCL
O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](c3ccc(O)cc3)NC(=O)C\4=C\N\C(=C/C/4=O)C)CSc5nnnn5C)C(=O)O	-0.3187587626244128	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3cccc4CCCc34)\c5csc(N)n5	0.2787536009528289	Lombardo	logCL
C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O	0.4623979978989561	Lombardo	logCL
COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O	0.6794278966121189	Lombardo	logCL
NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)C3=O)C(=O)[O-])cc1	0.292256071356476	Lombardo	logCL
C1(=O)[C@H]([C@@H]2N1C(=C(CS2)Sc1scc(n1)c1cc[n+](cc1)C)C(=O)[O-])NC(=O)/C(=N\OCC)c1nc(sn1)NP(=O)(O)O	1.9222062774390163	Lombardo	logCL
CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3ccccc3)\c4csc(N)n4)C(=O)O	0.38021124171160603	Lombardo	logCL
s1cnnc1SCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(Cn1nnnc1)=O)C(=O)O	0.7299742856995556	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O)\c3csc(N)n3	0.3222192947339193	Lombardo	logCL
Nc1nc(ns1)\C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)\C=C\4/CCN([C@@H]5CCNC5)C4=O	0.17609125905568124	Lombardo	logCL
NCCNC(=O)NC4=CN(CC=3CS[C@H]2N(C(=O)[C@H]2NC(=O)C(=N\OC(C)(C)C(=O)O)/c1nc(N)sn1)C=3C(=O)O)N(C)C4=N	0.06445798922691845	Lombardo	logCL
Cn1c(nc(=O)c(n1)O)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O	-0.6575773191777937	Lombardo	logCL
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)\c3occc3	0.3424226808222063	Lombardo	logCL
s1c(cnn1)SCC1=C(N2[C@H](SC1)[C@@H](NC(\C(c1csc(n1)N)=N/OC)=O)C2=O)C(=O)O	0.6127838567197355	Lombardo	logCL
C(N[C@H](C(N[C@@H](CC(C)C)[B](O)O)=O)[C@@H](C)O)(=O)C(=NC(=C1)C(=C2)C=CC=C2)C=C1	-0.5376020021010439	Lombardo	logCL
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O	0.5670263661590603	Lombardo	logCL
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O)C(=O)O	0.5910646070264992	Lombardo	logCL
[O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N13	0.5185139398778874	Lombardo	logCL
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O	0.25527250510330607	Lombardo	logCL
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O	0.43136376415898736	Lombardo	logCL
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C2=O)C(=O)O	0.5185139398778874	Lombardo	logCL
COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c1c2ccc(F)cc2)C(C)C	0.4623979978989561	Lombardo	logCL
CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H](Cc4ccc5ccccc5c4)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(=O)N	0.07918124604762482	Lombardo	logCL
CN(C)CCCNC(=O)\C(=C\CCCCC(=O)NO)\COc1cccc2ccccc12	0.2600713879850748	Lombardo	logCL
c1cc(ccc1C(=O)O)NC(=O)NCCN2CCN=C2c3ccncc3	0.22271647114758325	Lombardo	logCL
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN)C(=O)O)O	0.884795363948981	Lombardo	logCL
O=[P@@](O)(CCCC)CCCN	0.1931245983544616	Lombardo	logCL
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	0.7558748556724915	Lombardo	logCL
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl	0.4471580313422192	Lombardo	logCL
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)N(=O)=O	0.38021124171160603	Lombardo	logCL
OC(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O	0.04139268515822508	Lombardo	logCL
CNC1=Nc2ccc(Cl)cc2C(=N(=O)C1)c3ccccc3	-0.431798275933005	Lombardo	logCL
Cc1ncsc1CCCl	1.5185139398778875	Lombardo	logCL
Clc1cccc(c1)N2CCNCC2	0.785329835010767	Lombardo	logCL
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12	0.6127838567197355	Lombardo	logCL
CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2	0.3979400086720376	Lombardo	logCL
CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13	1.2041199826559248	Lombardo	logCL
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1	-1.3467874862246563	Lombardo	logCL
CN(C)CC\C=C/1\c2ccccc2Sc3ccc(Cl)cc13	1.0606978403536116	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O	0.3010299956639812	Lombardo	logCL
NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23	0.17609125905568124	Lombardo	logCL
C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4	0.9344984512435677	Lombardo	logCL
CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](O)C[C@@H]2C\C(=C/COCC(=O)O)\C[C@H]12	0.5797835966168101	Lombardo	logCL
C1(C=C[C@@]2([C@H]3[C@H](C[C@@]4([C@@]5([C@@H](C[C@@H]4[C@@H]3CCC2=C1)O[C@H](C1CCCCC1)O5)C(COC(C(C)C)=O)=O)C)O)C)=O	1.5224442335063197	Lombardo	logCL
CC([N@+]1([C@@H]2C[C@@H](C[C@@H]1CC2)OC(=O)[C@@H](C3CCCC3)c4ccccc4)C)C	0.9247959957979122	Lombardo	logCL
NC1=NC(=O)N(C[C@@H](CO)OCP(=O)(O)O)C=C1	0.3979400086720376	Lombardo	logCL
CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(=O)O)\C(=O)O	0.36172783601759284	Lombardo	logCL
c1ccc(cc1)CC[C@H](N[C@@H]1C(N2[C@@H](CCC[N@@]2CCC1)C(O)=O)=O)C(O)=O	0.3222192947339193	Lombardo	logCL
N1(C)C([C@H](NC([C@@H](NC(CNC([C@H](CCCNC(N)=N)NC([C@@H]1C(C)C)=O)=O)=O)CC(=O)O)=O)Cc1ccccc1)=O	0.07188200730612536	Lombardo	logCL
COc1ccc(cc1OC2CCCC2)[C@@]3(CC[C@H](CC3)C(=O)O)C#N	-0.3010299956639812	Lombardo	logCL
CN\C(=N/CCSCc1nc[nH]c1C)\NC#N	0.9084850188786497	Lombardo	logCL
C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)CC5CC5	1.3979400086720377	Lombardo	logCL
c1cccc2cccc(c12)[C@H](NCCCc1cc(C(F)(F)F)ccc1)C	1.2624510897304295	Lombardo	logCL
[H]OC(CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(cc1)C(=O)O[H])=O	0.9542425094393249	Lombardo	logCL
OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O	0.919078092376074	Lombardo	logCL
c1cc(cc(c1)O)[C@@H]([C@@H]1[C@@H](CCCC1)O)N(C)C	0.3424226808222063	Lombardo	logCL
c1(c(cc(N)c(c1)Cl)OC)C(N[C@@H]1[C@@H](C[N@@](CCCOc2ccc(F)cc2)CC1)OC)=O	0.17609125905568124	Lombardo	logCL
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(C)CCc5cc(OC)c(OC)cc5[C@H]4Cc6ccc(OC)c(OC)c6)cc1OC	0.7323937598229685	Lombardo	logCL
CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3	0.6334684555795865	Lombardo	logCL
Nc1nc(Cl)nc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3	1.146128035678238	Lombardo	logCL
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC	0.8633228601204559	Lombardo	logCL
OC\C=C\1/O[C@@H]2CC(=O)N2[C@H]1C(=O)O	0.4913616938342727	Lombardo	logCL
[H]N(c1c(c(nc(c2ccnc(c2)c2nnnn2[H])n1)OCCO[H])Oc1ccccc1OC)S(c1ccc(C)cn1)(=O)=O	1.021189299069938	Lombardo	logCL
c1([C@H]2[C@H](C(N(CCN(C)C)c3c(cc(cc3)Cl)S2)=O)OC(C)=O)ccc(OC)cc1	1.1367205671564067	Lombardo	logCL
CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C	2.1522883443830563	Lombardo	logCL
NC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2Cl)C(=O)O	0.6720978579357175	Lombardo	logCL
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O	0.6532125137753437	Lombardo	logCL
C(P(O)(O)=O)(P(O)(O)=O)(Cl)Cl	0.2041199826559248	Lombardo	logCL
n1c(N)c2c(nc1Cl)n([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)F)cn2	0.8864907251724818	Lombardo	logCL
CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13	0.9138138523837167	Lombardo	logCL
Clc1ccccc1C2=NCC(=O)Nc3ccc(cc23)N(=O)=O	-0.05551732784983137	Lombardo	logCL
Clc1cccc(Cl)c1NC2=NCCN2	0.6020599913279624	Lombardo	logCL
COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2	1.3738311450738303	Lombardo	logCL
CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24	0.3979400086720376	Lombardo	logCL
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O	0.4471580313422192	Lombardo	logCL
CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3	1.1139433523068367	Lombardo	logCL
COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3	1.505149978319906	Lombardo	logCL
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C	1.1760912590556813	Lombardo	logCL
COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C	0.3222192947339193	Lombardo	logCL
c1(cc(c(c(c1)OC)OC)OC)/C=C\c1ccc(c(c1)OP(=O)(O)O)OC	0.7678976160180907	Lombardo	logCL
Cc1nc2CCN(C(=O)c3ccc(NC(=O)c4ccccc4c5ccccc5)cc3)c6ccccc6c2[nH]1	0.47712125471966244	Lombardo	logCL
COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5	0.8075350280688532	Lombardo	logCL
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4CC[Si](C)(C)C)O	0.6232492903979004	Lombardo	logCL
CN1[C@@H](CCC1=O)c2cccnc2	-0.05060999335508721	Lombardo	logCL
c12c(ccc(o1)=O)cccc2	1.3729120029701065	Lombardo	logCL
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=CC(=NC2=O)N	0.6560982020128319	Lombardo	logCL
C1(N2C(=C(S[C@@H]3C[S@@](CC3)=O)S[C@H]2[C@H]1[C@H](O)C)C([O-])=O)=O	0.7075701760979364	Lombardo	logCL
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OCC(=O)O)/c4cc[nH]n4)SC2)C(=O)O	0.26245108973042947	Lombardo	logCL
C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	0.9890046156985368	Lombardo	logCL
COc1cc2c(cc1OCCCCCCC(=O)NO)c(ncn2)Nc3cccc(c3)C#C	1.0788191830988487	Lombardo	logCL
C(N)#N	1.2304489213782739	Lombardo	logCL
CN1CCN(CC1)C(c2ccccc2)c3ccccc3	1.1613680022349748	Lombardo	logCL
c1cn(c(=O)nc1N)[C@@H]2C=C([C@H]([C@H]2O)O)CO	0.557507201905658	Lombardo	logCL
ClCCN(CCCl)P1(=O)NCCCO1	0.04139268515822508	Lombardo	logCL
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	0.8750612633917001	Lombardo	logCL
O(C)C(C=C(C1)C(N=C(N[C@@H](CCC)C2C=CC=NC=2)C2C)=NC=2)=C(NC(NCC)=O)C=1	1.3463529744506386	Lombardo	logCL
[H]N([H])C1C=CN(C(N=1)=O)[C@H]1[C@H]([C@@H]([C@@H](CO[H])O1)O[H])O[H]	1.619823500457278	Lombardo	logCL
[H]N=C(c1ccc(cc1)N([H])Cc1nc2cc(ccc2n1C)C(N(CCC(=O)O[H])c1ccccn1)=O)N([H])[H]	0.28555730900777376	Lombardo	logCL
CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4	0.456366033129043	Lombardo	logCL
CN(C)N=Nc1nc[nH]c1C(=O)N	0.414973347970818	Lombardo	logCL
c1ccc2c(c1)c(c[nH]2)CCN(CCO)Cc3ccc(cc3)/C=C/C(=O)NO	0.8808135922807914	Lombardo	logCL
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C	0.0	Lombardo	logCL
CN[C@H]1C(=O)N[C@@H]2Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@@H](NC2=O)c8cc(Oc9cc1ccc9O)cc(O)c8Cl)c%10ccc(O)c(c%10)c%11c(O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)cc(O)cc%11[C@H](NC7=O)C(=O)NCCCN(C)C)c4O[C@@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@H]%13NC(=O)CCCCCCCCC(C)C)C(=O)O)cc3	-2.0	Lombardo	logCL
c1(ccncc1)N	0.9684829485539351	Lombardo	logCL
CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H](C(C)C)[C@H](C)\C=C\C(=O)NC\C=C/C(=C/[C@@H](O)CC(=O)Cc3occ(n3)C2=O)/C	1.2041199826559248	Lombardo	logCL
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C	1.1961761850399732	Lombardo	logCL
CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4Cc5cccc(F)c5C4)C(=O)NS(=O)(=O)C6CC6	1.061829307294699	Lombardo	logCL
O=C1CN(\N=C\c2oc(cc2)c3ccc(cc3)N(=O)=O)C(=O)N1	-0.36653154442041347	Lombardo	logCL
N(C(=O)C(=CC=C1N(CCN2C)CC2)C=C1)C(C(=C1C2)CN2C([C@H](OC)C(=CC=C2)C=C2)=O)=NN1	0.785329835010767	Lombardo	logCL
[C@H]1([C@H]([C@@H]([C@H](C(O1)c1ccc(c(c1)Cc1ccc(cc1)OCC)Cl)O)O)O)CO	0.47712125471966244	Lombardo	logCL
Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	-0.3187587626244128	Lombardo	logCL
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)C(CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O	-0.7958800173440752	Lombardo	logCL
c1(ccc(cc1)CSc1nc(=O)c2c(n1CC(=O)N(CCN(CC)CC)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CCC2)F	0.6138418218760693	Lombardo	logCL
NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5	1.0791812460476249	Lombardo	logCL
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	0.8926510338773003	Lombardo	logCL
CC(C)(C)c1cc(cc(c1OC)c2ccc3cc(ccc3c2)NS(=O)(=O)C)n4ccc(=O)[nH]c4=O		Lombardo	logCL
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	1.6773331514199017	Lombardo	logCL
c1(c(c(c(cc1C)OC[C@@H](CNC(C)C)O)C)C)O	1.209515014542631	Lombardo	logCL
NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2	2.113943352306837	Lombardo	logCL
[H]OC(c1ccc(cc1)n1c(c2ccccc2O[H])nc(c2ccccc2O[H])n1)=O	-0.07572071393811836	Lombardo	logCL
C1CCN2[C@@H](C1)C(=O)O[C@@H](CC(=O)[C@@H](C=C([C@H]([C@H](C(=O)[C@@H](C[C@@H](C=CC=CC=C([C@H](C[C@@H]1CC[C@H]([C@](C(=O)C2=O)(O1)O)C)OC)C)C)C)OC)O)C)C)[C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)OC)OP(=O)(C)C	0.04139268515822508	Lombardo	logCL
c1(cc2ccccc2cc1)C[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N1[C@@H](C(N[C@@H](C(N)=O)C)=O)CCC1)=O)CCCCNC(C)C)=O)CC(C)C)=O)Cc1ccc(cc1)NC(N)=O)=O)Cc1ccc(cc1)NC([C@H]1CC(NC(N1)=O)=O)=O)=O)=O)Cc1cnccc1)=O)Cc1ccc(cc1)Cl)=O)NC(C)=O	-0.16749108729376366	Lombardo	logCL
O=C(O)CCC(=O)O[C@@H]3CC[C@@]2(C)[C@H](/C=C/C1=CCOC1=O)C(=C)CC[C@@H]2[C@]3(C)COC(=O)CCC(=O)O	0.3010299956639812	Lombardo	logCL
c1c2c(c(c(c1F)N3CC(C3)O)Cl)n(cc(c2=O)C(=O)O)c4c(cc(c(n4)N)F)F	0.367355921026019	Lombardo	logCL
Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1	-0.769551078621726	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N	0.04139268515822508	Lombardo	logCL
CCC(CC)COC(C(=O)OCCN(C)C)(c1ccccc1)c2ccccc2	0.7558748556724915	Lombardo	logCL
c1c(c(nc(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)N)F	0.7067177823367587	Lombardo	logCL
C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(c3ccccc3)OCCN(C)C	0.6884198220027106	Lombardo	logCL
COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)C)C3=O)C5(C)C)C	0.9344984512435677	Lombardo	logCL
C(CCC(NCCCCCN(C(C)=O)O)=O)(N(CCCCCNC(CCC(N(CCCCCN)O)=O)=O)O)=O	0.9206450014067876	Lombardo	logCL
CNCCCN1c2ccccc2CCc3ccccc13	1.0413926851582251	Lombardo	logCL
Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1	-0.9208187539523752	Lombardo	logCL
NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N	0.146128035678238	Lombardo	logCL
c1cc(ccc1O)[C@@H](CN(C)C)C1(CCCCC1)O	0.6901960800285137	Lombardo	logCL
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO	0.5185139398778874	Lombardo	logCL
CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@@H]3[C@@H]2CC(=CC3)CO)(C)C)O	1.330007700872759	Lombardo	logCL
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F	1.0413926851582251	Lombardo	logCL
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1	0.568201724066995	Lombardo	logCL
C[C@H](c1c[nH]cn1)c2cccc(C)c2C	1.0413926851582251	Lombardo	logCL
c1ccc([C@H]([C@H]2CCCCN2)C(OC)=O)cc1	0.8241258339165489	Lombardo	logCL
COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)N(=O)=O)C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)C	0.9684829485539351	Lombardo	logCL
C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	0.4913616938342727	Lombardo	logCL
C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4	0.34044411484011833	Lombardo	logCL
c12[C@@]3([C@H]([C@@H](CCCCC3)Cc1ccc(c2)O)N)C	1.4393326938302626	Lombardo	logCL
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C	-1.6020599913279623	Lombardo	logCL
CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I	0.2304489213782739	Lombardo	logCL
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13	-0.42021640338318983	Lombardo	logCL
CC1=NS(=O)(=O)c2cc(Cl)ccc2N1	-1.2218487496163564	Lombardo	logCL
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1	-0.09691001300805639	Lombardo	logCL
OC(=O)C(Cl)Cl	0.724275869600789	Lombardo	logCL
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl	0.5440680443502757	Lombardo	logCL
Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl	0.3010299956639812	Lombardo	logCL
OC[C@@H]1CC[C@@H](O1)n2cnc3C(=O)NC=Nc23	1.0413926851582251	Lombardo	logCL
N1(C([C@H]2N(C([C@@H](NC([C@H](C([C@@H](OC(C[C@@H]([C@H](NC([C@H]([C@H](OC([C@@H]1Cc1ccc(cc1)OC)=O)C)NC([C@H](N(C([C@H]1N(C(=O)[C@@H](O)C)CCC1)=O)C)CC(C)C)=O)=O)[C@H](CC)C)O)=O)C(C)C)=O)C)=O)CC(C)C)=O)CCC2)=O)C	1.0870712059065355	Lombardo	logCL
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N	0.11058971029924898	Lombardo	logCL
[H]O[C@]1(CC)CC(=O)OCC2=C1C=C1c3c(CN1C2=O)cc1cc(c(cc1n3)F)F	0.9253120914996495	Lombardo	logCL
OC(=O)c1cc(ccc1O)c2ccc(F)cc2F	-1.0	Lombardo	logCL
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C	-1.3665315444204136	Lombardo	logCL
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C	0.2304489213782739	Lombardo	logCL
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@H]1C5)O)OC	0.6242820958356683	Lombardo	logCL
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O	1.1089031276673134	Lombardo	logCL
N12[C@@]([C@H]3N(CCC3)C([C@@H]1Cc1ccccc1)=O)(O[C@](NC([C@@H]1C[C@@H]3c4c5c(c[nH]c5ccc4)C[C@H]3[N@@](C1)C)=O)(C)C2=O)O	1.1781132523146318	Lombardo	logCL
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34	0.6232492903979004	Lombardo	logCL
C[C@H](CCc1ccccc1)NC[C@H](O)c2ccc(O)c(c2)C(=O)N	1.462397997898956	Lombardo	logCL
COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C	1.1139433523068367	Lombardo	logCL
C=1(c2c(cccc2)CC1CCN(C)C)[C@@H](c1ccccn1)C	0.6839471307515121	Lombardo	logCL
c1(cc(nc2n1ncc2CC)N1[C@@H](CCCC1)CCO)NCc1cn(=O)ccc1	0.667452952889954	Lombardo	logCL
CN(C)CCOC(c1ccccc1)c2ccccc2	0.9912260756924949	Lombardo	logCL
CCC(C)(C)NCC(O)COc1ccccc1C(=O)CCc2ccccc2	1.0413926851582251	Lombardo	logCL
CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O	0.6812412373755872	Lombardo	logCL
c12c(c(N3CCCCC3)nc(n2)N(CCO)CCO)nc(N(CCO)CCO)nc1N1CCCCC1	0.3010299956639812	Lombardo	logCL
CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C	-0.045757490560675115	Lombardo	logCL
c1(OC(N(CCCCCCN(C(Oc2c[n+](ccc2)C)=O)C)C)=O)c[n+](ccc1)C	-0.6989700043360187	Lombardo	logCL
[Na+].[Na+].c1(cc(c(cc1)\C=[N+](\C(C)(C)C)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.13033376849500614	Lombardo	logCL
CC(CN1CCN(CC1)CCOCCO)CN2c3ccccc3Sc4c2cccc4	1.2113875529368587	Lombardo	logCL
O=S(=O)(O)c1c(O)ccc(O)c1	-0.060480747381381476	Lombardo	logCL
c1(cc(CCN[C@@H](CCc2ccc(cc2)O)C)ccc1O)O	2.060697840353612	Lombardo	logCL
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C	1.146128035678238	Lombardo	logCL
CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2	0.7160033436347992	Lombardo	logCL
O=C(O[C@@H]1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c4c[nH]c5ccccc45	2.255272505103306	Lombardo	logCL
Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1	0.9777236052888477	Lombardo	logCL
c1(cc(c(O)cc1)O)CCN	1.8188854145940099	Lombardo	logCL
[H]N1C[C@@H](C[C@H]1CN([H])S(N([H])[H])(=O)=O)SC1=C(C(=O)O[H])N2C([C@@H]1C)[C@@H](C2=O)[C@H](C)O[H]	0.5132176000679389	Lombardo	logCL
COc1cc(CC2c3c(CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]4(C)CCc5cc(OC)c(OC)c(OC)c5C4Cc6cc(OC)c(OC)c(OC)c6)cc(OC)c(OC)c3OC)cc(OC)c1OC	0.43136376415898736	Lombardo	logCL
CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4	0.724275869600789	Lombardo	logCL
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4	0.2041199826559248	Lombardo	logCL
CN(C)CC\C=C\1/c2ccccc2COc3ccccc13	1.146128035678238	Lombardo	logCL
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O	1.0413926851582251	Lombardo	logCL
c12c(n(c(=O)n(c2=O)C)C)ncn1CC1OCCO1	0.8344207036815325	Lombardo	logCL
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	1.1760912590556813	Lombardo	logCL
C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O	-0.3372421683184259	Lombardo	logCL
CCCCCCCCOCCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc2ccccc2N(CC(=O)O)CC(=O)OCCOCCCCCCCC	1.146128035678238	Lombardo	logCL
c1cc(cc[n+]1CC1=C(N2C([C@H]([C@H]2SC1)NC(=O)\C(=N\OC)c1nc(sc1)N)=O)C(=O)[O-])c1cnco1	0.24551266781414982	Lombardo	logCL
CS(=O)(=O)Nc1cc2c(c(oc2cc1)CCCC)C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC	1.52283531366053	Lombardo	logCL
n1(c2c(cccc2)[nH]c1=O)C=1CC[N@@](CCCC(c2ccc(F)cc2)=O)CC1	0.9503648543761231	Lombardo	logCL
CCOc1ccc(\C=C\2/NCCc3cc(OCC)c(OCC)cc23)cc1OCC	0.5440680443502757	Lombardo	logCL
"s1cccc1[C@@H](Oc1cccc2c1cccc2)CCNC
"	0.9329808219231982	Lombardo	logCL
c12[C@@H]([N@@]3[C@@H]([C@@H]4C[C@@H]([C@@H]([N@@]4C)[C@@H]3Cc1cccc2OC)C(=O)O)C#N)CO	0.48572142648158	Lombardo	logCL
CC(=N)N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O	0.26951294421791633	Lombardo	logCL
N1(CCN(CC1)C1CCCCCC1)C(=O)O[C@H]1C=C[C@@H]([C@H](OC(=O)C[C@@H](CC[C@@]1(C)O)O)C(=C\C=C\[C@](C[C@H]1O[C@@H]1[C@@H]([C@H](CC)O)C)(C)O)\C)C	1.6803355134145632	Lombardo	logCL
CC(C)[C@@H](\C=C(/C)\C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C	-0.01322826573375516	Lombardo	logCL
N[C@@H](CCC(=O)O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N2[C@H](C(N[C@@H]3C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]5C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC(=O)O)=O)CCCNC(N)=N)=O)[C@@H](O)C)=O)CSSC1)=O)CCSC)=O)CCCCN)=O)CCCCN)=O)CSSC5)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC(C)C)=O)CO)=O)CCC(=O)O)=O)Cc1ccccc1)=O)CCCNC(N)=N)=O)CC(=O)N)=O)CCC(=O)N)=O)CC(=O)N)=O)=O)CCC(=O)O)=O)CSSC3)=O)=O)=O)Cc1ccc(cc1)O)=O)[C@@H](C)CC)=O)Cc1ccccc1)=O)CCC(=O)O)=O)CCC(=O)O)=O)=O)CCC(=O)N)=O)CCCNC(N)=N)=O)[C@@H](O)C)=O)Cc1ccccc1)=O)[C@@H](C)CC)=O)CC(=O)N)=O)Cc1ccccc1)=O)Cc1ccccc1)=O)Cc1c[nH]c3c1cccc3)=O)CCCNC(N)=N)=O)CCC4)=O)Cc1[nH]cnc1)=O)C)=O)C)=O)CCCNC(N)=N)=O)=O)CCC2)=O)=O)CC(=O)O)=O)CC(=O)O)=O)C)=O)CCCCN)=O)Cc1ccccc1)=O)C)=O)=O)Cc1ccccc1)=O)CO)=O)Cc1[nH]cnc1)=O)CCSC)=O)C)=O	0.2041199826559248	Lombardo	logCL
N1(c2ccccc2)N=C(C)CC1=O	0.15228834438305647	Lombardo	logCL
OCC(CO)NN1C(=O)c2c(C1=O)c3c4ccc(O)cc4n([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c3c6[nH]c7cc(O)ccc7c26	1.403120521175818	Lombardo	logCL
c1(nc2c(s1)CN(CC2)C)C(=O)N[C@H]1[C@@H](NC(=O)C(=O)Nc2ncc(Cl)cc2)CC[C@H](C(=O)N(C)C)C1	0.7151673578484579	Lombardo	logCL
CC[N+](C)(C)c1cccc(O)c1	0.9822712330395684	Lombardo	logCL
CN1CCC[C@@H]1Cc2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23	0.724275869600789	Lombardo	logCL
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](c2ccc3c(c2)OCCO3)O	1.321184027302314	Lombardo	logCL
C(CCNCCN1C(=O)c2c(ccc3ccccc23)C1=O)NCCN1C(=O)c2c(ccc3ccccc23)C1=O	0.7558748556724915	Lombardo	logCL
CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]2[C@H](OC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)[C@@H](C)CC)C(C)C)Cc3ccccc3)C(C)C)C	0.5854607295085007	Lombardo	logCL
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	1.3424226808222062	Lombardo	logCL
O1c2cccc(c2OCC1)N1CCNCC1	0.9030899869919435	Lombardo	logCL
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O	0.2041199826559248	Lombardo	logCL
C(CC(C)(N)C)(N[C@H](C(N[C@@H](Cc1c[nH]cn1)C(N[C@H]([C@H]([C@@H](O)CC(C)C)O)CC1CCCCC1)=O)=O)Cc1ccc(cc1)OC)=O	-0.3467874862246563	Lombardo	logCL
COc1ccc(cc1)C(=O)Nc2ccccc2CCC3CCCCN3C	1.1139433523068367	Lombardo	logCL
N\N=C\1/NN=C2CCN(CC2=C1)C(=O)c3ccccc3	1.1139433523068367	Lombardo	logCL
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc5c[nH]c6c5cccc6)C(=O)N[C@@H](Cc7ccccc7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc8cnc[nH]8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc9ccc(cc9)O)NC(=O)C	-0.44369749923271273	Lombardo	logCL
Cc1cc(c(cc1C(=O)NC(=N)N)S(=O)(=O)C)n2cccc2	0.9138138523837167	Lombardo	logCL
CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3	0.7323937598229685	Lombardo	logCL
c1(C(c2ccc(SC)cc2)=O)c([nH]c([nH]1)=O)C	1.2810333672477277	Lombardo	logCL
CCCN1C(=O)NC(=O)c2nc[nH]c12	0.6020599913279624	Lombardo	logCL
CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)N(=O)=O)\C#N	1.0791812460476249	Lombardo	logCL
c1ccn(c2c(cc(Cc3c(nc(nc3)N)N)cc2OCC)OCC)c1	0.5440680443502757	Lombardo	logCL
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO	1.3010299956639813	Lombardo	logCL
Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](N3CCOC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)NCc5c[nH]c-6nc(nc(=O)c6n5)N)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C	0.39093510710337914	Lombardo	logCL
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O	-0.4814860601221125	Lombardo	logCL
CCCCc1ncc(\C=C(/Cc2cccs2)\C(=O)O)n1Cc3ccc(cc3)C(=O)O	0.2787536009528289	Lombardo	logCL
[H]OC(CCCOCC=C1C[C@H]2C[C@H]([C@@H](C#C[C@H]([C@@H](C)CC#CCC)O[H])[C@H]2C1)O[H])=O	1.8208579894397	Lombardo	logCL
NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N	0.07918124604762482	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)NC(=O)CN5CCCC5)F	0.5693739096150459	Lombardo	logCL
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O	1.1760912590556813	Lombardo	logCL
NC[C@@H](O)C[C@H]5O[C@H]4C[C@H]9O[C@@H](CC[C@@H]1O[C@H](CC1=C)CC[C@@]32O[C@@H]6[C@@H]8O[C@H](C2)[C@H](O3)[C@@H]8O[C@H]7CC[C@H](CC(=O)O[C@@H]4[C@H]5OC)O[C@H]67)C[C@@H](C)C9=C	-0.12493873660829995	Lombardo	logCL
CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(=O)(O)O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC	-1.8860566476931633	Lombardo	logCL
n1cnc(c2cc(c(cc12)OCCOC)OCCOC)Nc1cc(ccc1)C#C	0.22788670461367352	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)Nc4cccc(c4)C(=O)O	-0.3467874862246563	Lombardo	logCL
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	0.7481880270062004	Lombardo	logCL
C(O)[C@@]12[C@H](C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(CO)C)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O)[C@@H]([C@H](O2)C(=O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)CC([C@H]([C@@H]1OC(=O)C)OC(=O)/C(=C/C)/C)(C)C	0.21748394421390627	Lombardo	logCL
C(O)[C@@]12[C@H](C3=CC[C@H]4[C@@]([C@@]3(C[C@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H]([C@@]2(CO)C)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O)[C@@H]([C@H](O2)C(=O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)CC([C@H]([C@@H]1OC(=O)C)OC(=O)/C(=C\C)/C)(C)C	0.4065401804339551	Lombardo	logCL
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1	2.462397997898956	Lombardo	logCL
c12c([nH]c(n1)[S@@](Cc1c(c(c(C)cn1)OC)C)=O)ccc(c2)OC	0.5854607295085007	Lombardo	logCL
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O	1.4771212547196624	Lombardo	logCL
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(=O)(O)O	-0.026872146400301365	Lombardo	logCL
CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl	0.9395192526186185	Lombardo	logCL
CC[C@@H](CO)NCCN[C@@H](CC)CO	1.0	Lombardo	logCL
c1(c(ncn1CC)C(NC)=O)C(NC)=O	1.08278537031645	Lombardo	logCL
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C	0.8450980400142568	Lombardo	logCL
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(OS(=O)(=O)O)C#C	0.11394335230683679	Lombardo	logCL
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CC[C@@]2(O)C#C	0.6720978579357175	Lombardo	logCL
CCNCC(O)c1cccc(O)c1	1.146128035678238	Lombardo	logCL
CCOC(=O)c1cncn1[C@H](C)c2ccccc2	1.1139433523068367	Lombardo	logCL
[C@@]12([C@H]([C@H]3[C@H](C(=C)C2)[C@@H]2C(=CC(=O)CC2)CC3)CC[C@]1(C#C)O)CC	0.3010299956639812	Lombardo	logCL
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26	-0.3010299956639812	Lombardo	logCL
Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C	-0.10237290870955855	Lombardo	logCL
Cc1cc(C)c2N(C[C@@H]3CC[C@H](CC3)C(=O)O)CCC[C@H](N(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c5nnn(C)n5)c2c1	-0.07572071393811836	Lombardo	logCL
O1C([C@@](c2cc3n(c(c2C1)=O)Cc1c2c4c(cc(c(c4CC[C@@H]2N)C)F)nc31)(CC)O)=O	-0.017728766960431602	Lombardo	logCL
C(Nc1c(cc(NCc2ccc(F)cc2)cc1)N)(=O)OCC	0.919078092376074	Lombardo	logCL
O=C([C@H](CSCCCC(N[C@@H](C1=O)CC2=CC=CC=C2)=O)NC([C@@H](NC([C@@](C)(NC([C@@H](N1)CC3=CC=CS3)=O)CC)=O)CC(N)=O)=O)N(C[C@H](O)C4)[C@@H]4C(N[C@@H](C(NCC(N)=O)=O)CCCNC(N)=N)=O	-0.060480747381381476	Lombardo	logCL
C1(c2cc(c(OC)cc2CN1CCC[N@@](CCc1cc(c(cc1)OC)OC)C)OC)=O	1.1961761850399732	Lombardo	logCL
NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1	0.8195439355418687	Lombardo	logCL
C(=O)(O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@@H](C)O)[C@H]1CCCO1	0.34830486304816066	Lombardo	logCL
O=S(=O)(N1CCCNCC1)c2cccc3cnccc23	1.8893017025063104	Lombardo	logCL
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C	1.0413926851582251	Lombardo	logCL
c12[C@@H](c3ccc(O)cc3)CNCCc1c(c(O)c(c2)O)Cl	1.6180480967120927	Lombardo	logCL
C([C@@H](c1cc(Oc2ccccc2)ccc1)C)(=O)O	-0.2218487496163564	Lombardo	logCL
CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2	1.462397997898956	Lombardo	logCL
O=C1NCC2(CCN(CCc3ccccc3)CC2)O1	0.414973347970818	Lombardo	logCL
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3	0.6720978579357175	Lombardo	logCL
CCCCc1nc(c(c(=O)n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)CC(=S)N(C)C)C	0.9822712330395684	Lombardo	logCL
c1c2c(c(c(c1F)N3C[C@H]4[C@H](C3)OCCN4)C#N)n(cc(c2=O)C(=O)O)C5CC5	0.7596678446896304	Lombardo	logCL
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C	0.38021124171160603	Lombardo	logCL
c1(ccc(cc1)CCCCCCCC)CCC(CO)(N)CO	0.1846914308175988	Lombardo	logCL
CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl	0.785329835010767	Lombardo	logCL
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2	0.6901960800285137	Lombardo	logCL
CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O	0.38021124171160603	Lombardo	logCL
n1(nnnc1SCC1=C(N2[C@H](OC1)[C@@](C2=O)(OC)NC(=O)CSC(F)F)C(O)=O)CCO	0.6127838567197355	Lombardo	logCL
Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl	0.38021124171160603	Lombardo	logCL
c1c(cc(c(C(Cn2ncnc2)(O)Cn2cncn2)c1)F)F	-0.5086383061657274	Lombardo	logCL
NC1=C(F)C=NC(=O)N1	0.3010299956639812	Lombardo	logCL
Nc1nc(F)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O	0.505149978319906	Lombardo	logCL
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23	1.2041199826559248	Lombardo	logCL
O1[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@H]4[C@H](C[C@@]3([C@]2(C(CO)=O)OC1(C)C)C)O	0.9777236052888477	Lombardo	logCL
CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)N(=O)=O	0.146128035678238	Lombardo	logCL
[C@H]12[C@H]3[C@@]([C@H]([C@@H](C3)C)C(=O)CO)(C[C@@H]([C@@H]1[C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)O)C	0.8450980400142568	Lombardo	logCL
Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1	0.11394335230683679	Lombardo	logCL
c1cn(c(=O)nc1N)[C@H]2[C@H](C[C@H](O2)CO)F	0.785329835010767	Lombardo	logCL
FC1=CNC(=O)NC1=O	1.414973347970818	Lombardo	logCL
c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F	0.617000341120899	Lombardo	logCL
[H]OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1	0.9867717342662449	Lombardo	logCL
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N	0.2041199826559248	Lombardo	logCL
C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F	1.1271047983648077	Lombardo	logCL
CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF	1.2304489213782739	Lombardo	logCL
CC(C)n1c(\C=C\[C@H](O)C[C@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13	1.2041199826559248	Lombardo	logCL
c1(\C(CCCCOC)=N\OCCN)ccc(C(F)(F)F)cc1	1.504470862494419	Lombardo	logCL
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N	1.7160033436347992	Lombardo	logCL
NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C=O)N1	0.7634279935629372	Lombardo	logCL
c1(cn[nH]c1)C	-0.1366771398795441	Lombardo	logCL
"S(=O)(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](NS(=O)(=O)O)[C@H](O1)OC)O)O[C@H]1[C@H](OS(=O)(=O)O)[C@H]([C@@H]([C@H](C(=O)O)O1)O[C@@H]1[C@H](NS(=O)(=O)O)[C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O)C(=O)O)OS(=O)(=O)O)O
"	-1.154901959985743	Lombardo	logCL
[nH]1cnc2c([nH]cc2[C@@H]2N[C@@H]([C@H]([C@H]2O)O)CO)c1=O	0.1931245983544616	Lombardo	logCL
n1([nH]c(nc1=O)C[N@@]1[C@H]([C@H](OCC1)O[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)P(=O)(O)O	1.2695129442179163	Lombardo	logCL
OC(=O)P(=O)(O)O	0.3222192947339193	Lombardo	logCL
OP(=O)(O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F	0.11394335230683679	Lombardo	logCL
C[C@@H]1O[C@@H]1P(=O)(O)O	0.3010299956639812	Lombardo	logCL
OC(=O)[C@@H]1C[C@H](CN1C(=O)CP(=O)(O)CCCCc2ccccc2)C3CCCCC3	-0.494850021680094	Lombardo	logCL
C1(c2ccccc2)(c2ccccc2)C(=O)N(C(=O)N1)COP(=O)(O)O	0.5440680443502757	Lombardo	logCL
C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(=O)(O)O	0.07918124604762482	Lombardo	logCL
P(=O)(OCC)(OCC)C(NC(=O)N(CCCl)N=O)C	1.2671717284030137	Lombardo	logCL
CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(=O)N	0.3979400086720376	Lombardo	logCL
[H]Oc1ccc2c(C[C@H](CCCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O)C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2O[H])c1	1.0718820073061255	Lombardo	logCL
NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl	0.2041199826559248	Lombardo	logCL
C(=O)([O-])C(=C1\[C@@H](OC(=O)C)C[C@@]2([C@@]3(CC[C@H]4[C@@H]([C@@H](CC[C@@]4(C)[C@@H]3[C@H](O)C[C@@H]12)O)C)C)C)\CC\C=C(\C)C	-0.4559319556497244	Lombardo	logCL
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)NC(=O)N4CCN(C4=O)/N=C/c5ccco5)C(=O)O)C	0.557507201905658	Lombardo	logCL
NCC1(CC(=O)O)CCCCC1	0.2304489213782739	Lombardo	logCL
[N]1(CC(=O)[O-])([Gd+3]2[N@@](CC1)(CC[N@@]2([C@@H](C([O-])=O)COCc1ccccc1)CC(=O)[O-])CC([O-])=O)CC(=O)[O-]	0.2041199826559248	Lombardo	logCL
[Gd+3]1234567OC([C@@H](CO)[N]81CC[N]4(CC[N]3(CC[N]2(CC8)CC(=O)[O-]6)CC(=O)[O-]5)CC(=O)[O-]7)CO	0.3010299956639812	Lombardo	logCL
CNC1=O[Gd+3]234567N(CCN2(C1)CC(=O)[O-]3)(CCN4(CC(=O5)NC)CC(=O)[O-]6)CC(=O)[O-]7	0.2528530309798932	Lombardo	logCL
C(C([N+]([Gd+++]([N+]1(C2)C3)([N+](C2)(C2)C4)([O-]5)([O-]6)([O-]C3=O)([O-]C4=O)[O-]C2=O)(CC6=O)CC5=O)C1)C(=CC=C1OCC)C=C1	-1.0	Lombardo	logCL
O=C1C[N]23CC[N]45CC(=O)[O-][Gd+3]2424([O-]1)([O-]C(=O)C5)[O-]C(=O)C[N]2(CC3)CC(=O)[O-]4	0.287801729930226	Lombardo	logCL
[N]123CC[N]45CC[N]67CC[N]8(CC1)CC(=O)[O-][Gd+3]3578([OH]C(C2)C)([O-]C(=O)C4)[O-]C(=O)C6	0.17609125905568124	Lombardo	logCL
COCCNC1=O[Gd+3]234567O=C(CN2(CCN3(CCN4(CC(=O)[O-]5)C1)CC(=O)[O-]6)CC(=O)[O-]7)NCCOC	0.07918124604762482	Lombardo	logCL
C(C([N+]([Gd+++]([N+]1(C2)C3)([N+](C2)(C2)C4)([O-]5)([O-]6)([O-]C3=O)([O-]C4=O)[O-]C2=O)(CC6=O)CC5=O)C1)C(=CC=C1OCC)C=C1	0.5526682161121932	Lombardo	logCL
CCCNc1nc(NCCC)nc(n1)N(C)OC	1.0755469613925308	Lombardo	logCL
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24	0.7481880270062004	Lombardo	logCL
CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC	0.17897694729316943	Lombardo	logCL
c1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)c(c1)OC)OC	1.1553360374650619	Lombardo	logCL
C1(=O)[C@@]2(C\C=C(\C)C(=O)O)[C@@]34Oc5c(c6c(c(c5C(C3=C[C@@H]1C[C@@H]4C(O2)(C)C)=O)O)C=C[C@](O6)(CC\C=C(\C)C)C)C\C=C(\C)C	0.09342168516223506	Lombardo	logCL
NC1=Nc2c(ncn2COC(CO)CO)C(=O)N1	0.6627578316815741	Lombardo	logCL
O([C@@H]1[C@@H]([C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@@H](\C=C\CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@H]2O)O)CO)O[C@@H]1CO)O)OC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(O)=O)O)O)NC(C)=O)O)O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@H](O1)CO)O[C@@H]1O[C@@H]([C@H](O)[C@@H]([C@H]1O)O)CO)NC(C)=O	-1.6989700043360187	Lombardo	logCL
"N([C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H](C(=O)N1[C@H](C(N[C@@H](C(N)=O)C)=O)CCC1)CCCC\N=C(\NCC)NCC)=O)CC(C)C)=O)CCCC\N=C(/NCC)NCC)Cc1ccc(cc1)O)=O)CO)=O)Cc1cccnc1)=O)Cc1ccc(cc1)Cl)Cc1ccc2c(c1)cccc2)C(=O)C
"	-0.2006594505464183	Lombardo	logCL
[H]N1Cc2cc(ccc2[C@H]1C)c1ccc2C(C(=CN(C3CC3)c2c1OC(F)F)C(=O)O[H])=O	0.08990511143939793	Lombardo	logCL
COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(=O)O	0.4471580313422192	Lombardo	logCL
[H]N(C(C=Cc1c2c(cc(cc2n([H])c1C(=O)O[H])[Cl])[Cl])=O)c1ccccc1	-1.0506099933550872	Lombardo	logCL
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4	1.0791812460476249	Lombardo	logCL
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F	1.505149978319906	Lombardo	logCL
CO/N=C/1\CN(CC1CN)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F	0.8573324964312685	Lombardo	logCL
C[C@@H]([C@@](O)(Cn1cncn1)c2ccc(F)cc2F)S(=O)(=O)C	-0.721246399047171	Lombardo	logCL
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@@H](CC[C@H]3N)[C@@H](C)N)[C@@H]2O)OC[C@]1(C)O	0.0	Lombardo	logCL
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C	-0.09691001300805639	Lombardo	logCL
c1(c[nH]c2c1cccc2)C[C@@H](C(N[C@@H](C(N[C@H](C(=O)N)CCCCN)=O)Cc1ccccc1)=O)NC([C@@H](NC([C@H](NC([C@H](Cc1[nH]cnc1)N)=O)Cc1c[nH]c2c1cccc2)=O)C)=O	0.4913616938342727	Lombardo	logCL
C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](OC(=O)[C@@H]6O)OC4(C(=O)O5)[C@@]12O	0.36172783601759284	Lombardo	logCL
C[C@@H]1C(=O)O[C@H]2[C@H](O)C34[C@H]5C[C@@H](C(C)(C)C)C36[C@@H](OC(=O)[C@@H]6O)OC4(C(=O)O5)[C@@]12O	0.36172783601759284	Lombardo	logCL
C[C@@]12[C@@H]([C@]3(C)[C@@H](CC2)C(C)(C)[C@H](CC3)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@@H](O)[C@@H]([C@H](O2)CO)O)C[C@H]([C@H]2[C@@]1(C)CC[C@@H]2[C@@](O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)(CCC=C(C)C)C)O	-1.0457574905606752	Lombardo	logCL
C(C)c1c2c(nn1CCOC)c(=O)nc([nH]2)c1c(OCC)ncc(c1)S(=O)(=O)N1CCN(CC1)CC	1.1553360374650619	Lombardo	logCL
Cc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@]([C@H]2O)(C3(C)C)C	-0.46852108295774486	Lombardo	logCL
C1[C@@H]2[C@@H](CN1NC(NS(c1ccc(C)cc1)(=O)=O)=O)CCC2	-0.38721614328026455	Lombardo	logCL
CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@@H]3CC[C@@H](C)CC3)C1=O	-0.3010299956639812	Lombardo	logCL
Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.25181197299379954	Lombardo	logCL
c1(cc(C[C@H](NC(=O)CC[C@@H](C(O)=O)N)C(O)=O)ccc1O)O	0.6627578316815741	Lombardo	logCL
P(O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)(=O)(NCCCl)NCCCl	0.2041199826559248	Lombardo	logCL
COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.08618614761628333	Lombardo	logCL
C([C@@H](CO)O)O[N+](=O)[O-]	0.5599066250361125	Lombardo	logCL
C(C1CCCC1)(c1ccccc1)(C(=O)OC1C[N+](CC1)(C)C)O.[Br-]	1.2253092817258628	Lombardo	logCL
C1([C@H]2[C@@]([C@@]3(C([C@H]4[C@@](CC[C@@](C4)(C(O)=O)C)(C)CC3)=C1)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(O)=O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)C)C)=O	-0.8860566476931632	Lombardo	logCL
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=N)OC)O)(C(=O)CO)O)N)O	1.1760912590556813	Lombardo	logCL
CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34	0.9590413923210935	Lombardo	logCL
c1(c(c2c(c(F)c(cc2n(c1)C1CC1)N1C[C@@H](C)NCC1)C)=O)C(=O)O	0.7708520116421442	Lombardo	logCL
N1(C(COCC1)CN(C1)C(=C(C(=NC2C)NNC(C(CC3CCCC3)CN(C=O)O)=O)F)N=2)C1	0.7481880270062004	Lombardo	logCL
c1cc(=O)n2c3c1ncc(=O)n3[C@@H](C2)CN4CCC(CC4)NCc5cc6c(cn5)OCCC6	0.9652017010259121	Lombardo	logCL
COc1cccc2c1c(NS(=O)(=O)c3ccc(Cl)s3)nn2Cc4cccc(CNC(=O)C(C)(C)O)c4	0.7075701760979364	Lombardo	logCL
B1(c2c(cccc2OCCCO)[C@H](O1)CN)O	0.6127838567197355	Lombardo	logCL
c1cc(nc(c1)C(=O)O)Cc2cc(ccc2OCc3ccc(cc3F)Cl)Cl	0.3010299956639812	Lombardo	logCL
NC(C1=C(C=C(N(C2=C3)C=NC2=CC=C3CN4CCN(C)CC4)S1)O[C@H](C)C5=CC=CC=C5C(F)(F)F)=O	1.3010299956639813	Lombardo	logCL
NC(=N)NC(=O)Cc1c(Cl)cccc1Cl	0.6532125137753437	Lombardo	logCL
N([C@H](C(O)=O)CS)C(N)=N	0.45939248775923086	Lombardo	logCL
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3	0.8920946026904804	Lombardo	logCL
CC(CCCC(C)(C)O)N	1.0301947853567512	Lombardo	logCL
"CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CC[N@@]([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C
"	2.326949994165999	Lombardo	logCL
CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O	0.5314789170422551	Lombardo	logCL
[C@@]123[C@@H]([C@@H](C(=C1)OC)OC(=O)[C@](CC(=O)OC)(O)CCCC(O)(C)C)c1c(cc4c(c1)OCO4)CCN2CCC3	0.4712917110589386	Lombardo	logCL
N\N=C\1/NN=Cc2ccccc12	1.9294189257142926	Lombardo	logCL
C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23	0.7558748556724915	Lombardo	logCL
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F	0.9867717342662449	Lombardo	logCL
CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35	1.4471580313422192	Lombardo	logCL
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O	0.34830486304816066	Lombardo	logCL
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12	1.0413926851582251	Lombardo	logCL
CN1[C@@H](C[C@@H](O)C1=O)c2cccnc2	0.25527250510330607	Lombardo	logCL
CC[C@@]1(O)CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34	1.0791812460476249	Lombardo	logCL
CN(C)CCCN1c2ccccc2CCc3cc(O)ccc13	0.9637878273455552	Lombardo	logCL
c1cc2n3c(cnc3CO)CN=C(c3ccccc3F)c2cc1Cl	0.9872192299080049	Lombardo	logCL
O1[C@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O[C@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H]1[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)CO)CO)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2O)CO.[*]CCO	0.25527250510330607	Lombardo	logCL
C1(C(=C([C@@](C(=C1C(\C=C\c1ccc(cc1)O)=O)O)(O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O	0.0	Lombardo	logCL
CN[C@@H]1C[C@H]2OC(C)([C@@H]1OC)n3c4ccccc4c5c6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35	-2.431798275933005	Lombardo	logCL
NC(=O)NO	0.17609125905568124	Lombardo	logCL
Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56	-0.8860566476931632	Lombardo	logCL
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	0.25527250510330607	Lombardo	logCL
C=CC(=O)N1CCCC(C1)[n@]2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	1.2148438480476977	Lombardo	logCL
CC(C)Cc1ccc(cc1)C(C)C(=O)O	-0.08618614761628333	Lombardo	logCL
CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1	1.414973347970818	Lombardo	logCL
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C	1.380211241711606	Lombardo	logCL
C1CN=C(N1)C2COc3ccccc3O2	1.0	Lombardo	logCL
C1CC[C@@H]([C@@H](C1)C(=O)N(C)CC(=O)NO)C(O)=O	0.7993405494535817	Lombardo	logCL
c1(\C=C\C(NCCO)=O)ccccc1	-0.004364805402450088	Lombardo	logCL
c12c(ccc(c1)Cl)[nH]c(c2P(=O)(c1cc(cc(c1)/C=C/C#N)C)OC)C(=O)N	0.23299611039215382	Lombardo	logCL
c12c(ccc(c1F)Cl)[nH]c(c2P(=O)(c1cc(cc(c1)/C=C/C#N)C)OC)C(=O)N	0.26245108973042947	Lombardo	logCL
CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3	1.8100307864058394	Lombardo	logCL
CCCCCNC(=O)c1coc(n1)[C@H]2[C@@H](Cc3ccccc3CCC(=O)O)[C@@H]4CC[C@H]2O4	0.8061799739838872	Lombardo	logCL
ClCCNP1(=O)OCCCN1CCCl	0.04139268515822508	Lombardo	logCL
Cc1c(ccnc1CS(=O)c2[nH]c3ccc(cc3n2)n4cccc4)OC	-0.1366771398795441	Lombardo	logCL
CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(=C/CCCC(=O)O)\C[C@H]12	1.2041199826559248	Lombardo	logCL
CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1	0.5185139398778874	Lombardo	logCL
[H]N([H])C(C(CCn1ccnc1C)(c1ccccc1)c1ccccc1)=O	0.785329835010767	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N	0.47712125471966244	Lombardo	logCL
CN(C)CCCN1c2ccccc2CCc3ccccc13	1.1139433523068367	Lombardo	logCL
CN(=O)(C)CCCN1c2ccccc2CCc3ccccc13	1.0791812460476249	Lombardo	logCL
C1CCCC(CC1)NC(P(=O)(O)O)P(=O)(O)O	0.3344537511509309	Lombardo	logCL
[C@@H](O)(c1ccc(c2c1ccc(=O)[nH]2)O)CNC1Cc2c(C1)cc(c(c2)CC)CC	0.651278013998144	Lombardo	logCL
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45	1.255272505103306	Lombardo	logCL
c1(ccc(cc1)S(=O)(=O)N)S(=O)(=O)Nc1cccc2c(c[nH]c12)Cl	-0.14266750356873156	Lombardo	logCL
CC1(C)\C(=C\C=C\C=C\C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)\N(CCCCS(=O)(=O)O)c5ccc6ccccc6c15	0.8325089127062363	Lombardo	logCL
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3	0.11394335230683679	Lombardo	logCL
N1(c2ccc(cc2)C(C(=O)O)C)C(=O)c2c(C1)cccc2	-0.18708664335714442	Lombardo	logCL
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4	1.3010299956639813	Lombardo	logCL
C(=O)(N)c1cc(N)ccc1	0.8976270912904415	Lombardo	logCL
C1[C@@H](C(=O)NCCCNC(N)=N)N(CCC1)C(=O)[C@H](NCC(=O)O)CC1CCCCC1	0.785329835010767	Lombardo	logCL
CN(C)CCCNc1ncc(C)c2[nH]c3ccc4cc(O)ccc4c3c12	1.255272505103306	Lombardo	logCL
c1(N(CC(CN(c2c(c(c(I)c(c2I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I)C(C)=O)O)C(C)=O)c(c(c(I)c(c1I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I	0.15836249209524964	Lombardo	logCL
[H]N([H])[C@H]1C[C@H](O[C@H]2C[C@@](Cc3c2c(c2C(c4c(cccc4OC)C(c2c3O[H])=O)=O)O[H])(C(CO[H])=O)O[H])O[C@@H](C)[C@H]1I	2.146128035678238	Lombardo	logCL
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I	0.3010299956639812	Lombardo	logCL
[H]N(C[C@@H](CO[H])O[H])C(c1c(c(C(N([H])C[C@@H](CO[H])O[H])=O)c(c(c1I)N(C)C(CO[H])=O)I)I)=O	0.146128035678238	Lombardo	logCL
C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I	0.2787536009528289	Lombardo	logCL
c1(c(c(c(I)c(c1I)C(NC[C@@H](CO)O)=O)C(NC[C@@H](CO)O)=O)I)N(C[C@@H](COC)O)C(C)=O	0.10380372095595687	Lombardo	logCL
COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I	0.146128035678238	Lombardo	logCL
CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I	0.38021124171160603	Lombardo	logCL
c1(c(c(c(I)c(c1I)C(N[C@@H]([C@@H](CO)O)CO)=O)C(N[C@@H]([C@@H](CO)O)CO)=O)I)N(C(CC(N(c1c(c(c(I)c(c1I)C(N[C@@H]([C@@H](CO)O)CO)=O)C(N[C@@H]([C@@H](CO)O)CO)=O)I)C)=O)=O)C	0.17318626841227402	Lombardo	logCL
[H]OC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C(C)C)c1ccccc1	1.4969296480732148	Lombardo	logCL
CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn[nH]5	0.36172783601759284	Lombardo	logCL
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4	0.8450980400142568	Lombardo	logCL
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1	2.146128035678238	Lombardo	logCL
[H]O[C@](Cn1cncn1)(c1cc(ccc1F)F)[C@@H](C)c1nc(cs1)c1ccc(C#N)cc1	-0.07058107428570728	Lombardo	logCL
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O	0.11394335230683679	Lombardo	logCL
[H]OC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O[H])O[C@@H]1O[C@@H]1CC[C@@]2(C)C3C(C=C4[C@H]5C[C@@](C)(CC[C@@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@@H]2C1(C)C)C(=O)O[H])=O)O[H])O[H])O[H])O[H])O[H])=O	-1.3010299956639813	Lombardo	logCL
[H]n1c2ccncc2nc1c1ccc(cc1OC)S(C)=O	1.3159703454569178	Lombardo	logCL
NNC(=O)c1ccncc1	0.8692317197309762	Lombardo	logCL
CC(C)NCC(O)c1ccc(O)c(O)c1	1.7481880270062005	Lombardo	logCL
O=N(=O)O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)ON(=O)=O	1.4913616938342726	Lombardo	logCL
O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)ON(=O)=O	0.7923916894982539	Lombardo	logCL
O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)ON(=O)=O	0.3010299956639812	Lombardo	logCL
CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3	-1.154901959985743	Lombardo	logCL
COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C	1.414973347970818	Lombardo	logCL
CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4	0.7075701760979364	Lombardo	logCL
N1(C(Cc2c(CC1)cc(c(c2)OC)OC)=O)CCC[N@@](C)C[C@@H]1c2cc(c(cc2C1)OC)OC	1.011570443597278	Lombardo	logCL
COc1ccc(CN(CCC(=O)O)C(=O)CNC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1OC	1.0413926851582251	Lombardo	logCL
C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C	1.0	Lombardo	logCL
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O	-0.3010299956639812	Lombardo	logCL
"N1(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)CCCC(C)C)C(C)C)=O)[C@H](O)C)=O)C(C)C)=O)C(C)C)=O)[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]2C(N[C@@H](C(N[C@H](C(N[C@@H](Cc3ccccc3)C(N\C(C(N[C@H](C(O[C@@H]2C)=O)C(C)C)=O)=C/C)=O)=O)C(C)C)=O)[C@H](CC)C)=O)=O)[C@H](CC)C)=O)CCCN)=O)CCC1
"	0.5910646070264992	Lombardo	logCL
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	0.146128035678238	Lombardo	logCL
CNC1(CCCCC1=O)c2ccccc2Cl	1.2787536009528289	Lombardo	logCL
Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=O)Nc4ccccc4C3=O)CC2	0.8260748027008264	Lombardo	logCL
CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2	0.9637878273455552	Lombardo	logCL
CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2	0.2041199826559248	Lombardo	logCL
OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3	-0.4559319556497244	Lombardo	logCL
c12c(cccc1cncc2)OCC(N[C@H](C(N[C@H]([C@@H](C(N1[C@@H](CSC1)C(NC(C)(C)C)=O)=O)O)Cc1ccccc1)=O)CSC)=O	1.021189299069938	Lombardo	logCL
CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2[nH]cnc3ncnc23)O[C@H]1[C@@H](O)CO	0.43136376415898736	Lombardo	logCL
c1c(c2c(cc1)C(=O)c1c(c(O)c3c(c1O)[C@@H](O)[C@@](O)(CC)C[C@@H]3O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)N1CCOCC1)C2=O)O	1.631443769013172	Lombardo	logCL
NCCCNc1ccc2c(CNCCO)nn3c4c(O)ccc(O)c4C(=O)c1c23	1.255272505103306	Lombardo	logCL
CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O	0.8369567370595504	Lombardo	logCL
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N	0.2355284469075489	Lombardo	logCL
S(c1ccc(C(=O)CCC(=O)O)cc1)(=O)(=O)CCCOc1c(c(O)c(cc1)C(=O)C)CCC	1.2415464805965484	Lombardo	logCL
[H]N(C(CC(C)(C)N([H])[H])=O)[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)c2ccccc2c2nnnn2[H])C1=O	0.48429983934678583	Lombardo	logCL
c1cc(cc(c1)Cl)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N	0.505149978319906	Lombardo	logCL
CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N	1.3617278360175928	Lombardo	logCL
"C(=O)([C@@H](COC)NC(=O)C)NCc1ccccc1
"	-0.24412514432750865	Lombardo	logCL
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N6CC6)OS(=O)(=O)C	1.371806458507416	Lombardo	logCL
NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(=O)O	0.2787536009528289	Lombardo	logCL
NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO)O2	0.6812412373755872	Lombardo	logCL
c1ccc(cc1)C(Cc2ccccn2)N	0.25527250510330607	Lombardo	logCL
COC(c1cnc2C(=C3CCN(CC3)CCc3ccc(cc3)OCc3ccc4ccccc4n3)c3ccccc3CCn12)=O	1.1504494094608806	Lombardo	logCL
c1(c2c(cccc2)[nH]c1)C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC([C@@H](CSSC[C@@H](NC([C@@H](NC([C@@H](NC1=O)CCCCN)=O)C(C)C)=O)C(N[C@@H]([C@@H](C)O)C(=O)N)=O)NC(=O)[C@@H](N)Cc1ccc2c(c1)cccc2)=O	0.7558748556724915	Lombardo	logCL
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2	0.6434526764861874	Lombardo	logCL
CS(=O)(=O)[N@@](N(S(=O)(=O)C)C(=O)NC)CCCl	1.3636119798921444	Lombardo	logCL
CS(=O)(=O)c1cc(cc2c1n(c3c2CC[C@@H]3CC(=O)O)Cc4ccc(cc4)Cl)F	0.08278537031645007	Lombardo	logCL
O=C1[C@@]23[C@@H]([C@@]4(OC(=O)C)[C@@H](C[C@@H]2C3)OC4)[C@H](OC(=O)c2ccccc2)[C@]2(C(C(=C(C)[C@H](C2)OC(=O)[C@@H]([C@@H](NC(=O)OC(C)(C)C)c2ccccc2)O)C1OC(=O)C)(C)C)O	1.0334237554869496	Lombardo	logCL
C([C@@H]1[C@H]([C@H](O)C[C@@H]1O)CC[C@H](CCc1ccccc1)O)\C=C\CCCC(OC(C)C)=O	0.8260748027008264	Lombardo	logCL
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@@H]4CC[C@@H](N)C[C@H]4O	0.5976951859255123	Lombardo	logCL
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H](CCNC)O)C(=O)O)[C@@H](C)O	0.3053513694466238	Lombardo	logCL
c1ccc2c(c1)c(ccc2n3c(nnc3Br)SCC(=O)O)C4CC4	0.1553360374650618	Lombardo	logCL
N#Cc1ccc(cc1)C(c2ccc(cc2)C#N)n3cncn3	-0.24412514432750865	Lombardo	logCL
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6	0.3010299956639812	Lombardo	logCL
N1([C@H](C(=O)N)CC)C(=O)CCC1	-0.045757490560675115	Lombardo	logCL
C(Nc1c(cccc1C)C)([C@H]1[N@@](CCCC)CCCC1)=O	0.9395192526186185	Lombardo	logCL
[H]OC([C@@]1(CCN(C[C@H]1C)C1CCC(CC1)(C#N)c1ccc(cc1)F)c1ccccc1)=O	-0.36653154442041347	Lombardo	logCL
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	1.3617278360175928	Lombardo	logCL
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O	0.2787536009528289	Lombardo	logCL
C(=O)([C@@H](NC(=O)c1ccc(cc1)NC[C@@H]1N(c2c(=O)nc([nH]c2NC1)N)C=O)CCC(=O)O)O	0.6127838567197355	Lombardo	logCL
COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1	0.9956351945975499	Lombardo	logCL
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C	0.25527250510330607	Lombardo	logCL
c1ccc2c(C3(CCC2c2ccccc32)C[C@H](CNC)O)c1	1.1643528557844371	Lombardo	logCL
c12[C@@]34[C@H]([C@@H](Cc1ccc(c2)O)[N@](C)CC3)CCCC4	1.1958996524092338	Lombardo	logCL
C[C@@H]1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2	0.5797835966168101	Lombardo	logCL
C([C@@H](N[C@H]1CCc2c(cccc2)N(CC(O)=O)C1=O)CCCCN)(O)=O	0.08990511143939793	Lombardo	logCL
c12CC(c3c(N(c2cccc1)C(=O)N)cccc3)O	-0.05551732784983137	Lombardo	logCL
CCN(CC)CC(=O)Nc1c(C)cccc1C	1.2041199826559248	Lombardo	logCL
CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1	0.2787536009528289	Lombardo	logCL
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O	0.3222192947339193	Lombardo	logCL
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2	0.25527250510330607	Lombardo	logCL
C1CSS[C@@H]1CCCCC(=O)O	1.0606978403536116	Lombardo	logCL
C1CSS[C@H]1CCCCC(=O)O	1.1271047983648077	Lombardo	logCL
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc6cnc[nH]6)N)C(=O)O	-2.0	Lombardo	logCL
"C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)N
"	1.2304489213782739	Lombardo	logCL
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O	0.07918124604762482	Lombardo	logCL
c12c3C=4[C@H]([N@@](C[C@H](C4)NC(N(CC)CC)=O)C)Cc1c[nH]c2ccc3	1.1238516409670858	Lombardo	logCL
N1[C@@H](C)CN(CC1)c1c(F)cc2c(c(cn(c2c1F)CC)C(O)=O)=O	0.5998830720736879	Lombardo	logCL
c1c(csc1COc2c3c(nc[nH]3)nc(n2)N)Br	1.3334472744967505	Lombardo	logCL
c1cccc2c1C(c1c2cccc1)(CCCCN1CCC(CC1)NC(c1c(cccc1)c1ccc(cc1)C(F)(F)F)=O)C(NCC(F)(F)F)=O	0.9395192526186185	Lombardo	logCL
OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O	0.0	Lombardo	logCL
CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3	1.2041199826559248	Lombardo	logCL
CN1C(=O)C(O)N=C(c2ccccc2Cl)c3cc(Cl)ccc13	0.6020599913279624	Lombardo	logCL
CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4	0.9138138523837167	Lombardo	logCL
CC1=C(C=C(C=C1F)C(=O)NC1CC1)C1=CC=C(C=N1)C(=O)NCC(C)(C)C	0.5763413502057929	Lombardo	logCL
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12	0.8573324964312685	Lombardo	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1	0.0	Lombardo	logCL
[H]O[C@@H](CN1CCC(CC1)N(C)c1nc2ccccc2s1)COc1ccc(c(c1)F)F	0.2304489213782739	Lombardo	logCL
Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)c9c(c1cc(ccc1[nH]9)OC)CCN8	0.4409090820652177	Lombardo	logCL
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc6c(cc5c4CN7CCN(CC7)C)OCCO6)O	1.3991543339582164	Lombardo	logCL
C1(C2C3C(N(C(C=3C(N=C(N3C=CC4)C=4)=C3)=O)[H])=O)[C@@H](N(C=2)C2)[C@@H](C=C(C=1)F)CN(C2)C(=O)N(CCCC1)C1	1.0128372247051722	Lombardo	logCL
S1(=O)(=O)C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(NC(=O)[C@H](CCSC)N)C(=O)O	0.9881128402683519	Lombardo	logCL
S1(=O)(=O)[C@@H]2[C@H]([C@](C1)(N)C(=O)O)[C@H]2C(=O)O	0.38021124171160603	Lombardo	logCL
O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](CO)O	0.07918124604762482	Lombardo	logCL
CNCCCC12CCC(c3ccccc13)c4ccccc24	1.146128035678238	Lombardo	logCL
[H]N(C(C1CCC(CC1)(F)F)=O)[C@H](CCN1[C@H]2CC[C@@H]1CC(C2)n1c(C)nnc1C(C)C)c1ccccc1	0.9731278535996987	Lombardo	logCL
COc1ccc(Cl)cc1[C@]2(F)C(=O)Nc3cc(ccc23)C(F)(F)F	1.1760912590556813	Lombardo	logCL
CC(C)Oc1ccccc1N1CCN(CC1)Cc1cccc(c1)C(N1CCCCC1)=O	0.7902851640332417	Lombardo	logCL
C=C(C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O	0.4885507165004443	Lombardo	logCL
Cc1c(ccc2c1OC[C@H]([C@H]2c3ccc(cc3)O)c4ccc(cc4)O)O	0.9253120914996495	Lombardo	logCL
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3	1.1760912590556813	Lombardo	logCL
C(Oc1ccccc1)(Oc1ccccc1)CN(C)C	1.1367205671564067	Lombardo	logCL
CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N	1.2041199826559248	Lombardo	logCL
NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C3CCCCC3)cc1	0.2787536009528289	Lombardo	logCL
c12c([nH]cc1CCNC(C)=O)ccc(c2)OC	1.2174839442139063	Lombardo	logCL
CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3	-0.9208187539523752	Lombardo	logCL
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1	1.662757831681574	Lombardo	logCL
N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O	0.8450980400142568	Lombardo	logCL
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6ccccc6C(=O)c5c(O)c34)C(=O)CO)O[C@H]2C	0.3979400086720376	Lombardo	logCL
c12c3c([C@@]4(O[C@@H](O3)[C@@H](O)[C@@H]([C@@H]4O)N(C)C)C)cc(c1C(c1c(c3[C@@H](C[C@@](Cc3cc1C2=O)(C)O)OC)O)=O)O	1.0648322197385738	Lombardo	logCL
CCOC(=O)C1(CCN(C)CC1)c2ccccc2	0.6901960800285137	Lombardo	logCL
Cc1cc2c([nH]1)cccc2OCC(CNC(C)C)O	0.7656685547590141	Lombardo	logCL
CN1CCCCC1C(=O)Nc2c(C)cccc2C	0.8325089127062363	Lombardo	logCL
CCCC(C)(COC(=O)N)COC(=O)N	-0.2218487496163564	Lombardo	logCL
CCC1(CCCCN(C)C1)c2cccc(O)c2	1.4471580313422192	Lombardo	logCL
S=C1NC=Nc2[nH]cnc12	1.1760912590556813	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)N(C)C	0.5910646070264992	Lombardo	logCL
C(S(=O)(=O)O)CS	1.3117538610557542	Lombardo	logCL
Cc1c(c(c(cn1)CO)CO)O.C1CC(=O)N[C@@H]1C(=O)	0.8976270912904415	Lombardo	logCL
CC(C)NCC(c1cc(cc(c1)O)O)O	1.1482940974347458	Lombardo	logCL
[H]N([H])c1c2cc(c(cc2nc(n1)N1CCN(CC1)C([C@H](C)OC)=O)OC)OC	-0.27572413039921095	Lombardo	logCL
c12c3[C@@H]4[C@H]([N@@](C[C@@H](C4)CNC(OCc4ccccc4)=O)C)Cc1cn(c2ccc3)C	0.9822712330395684	Lombardo	logCL
CN(C)C(=N)NC(=N)N	0.8692317197309762	Lombardo	logCL
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2	0.2304489213782739	Lombardo	logCL
CN[C@@H](C)Cc1ccccc1	0.6434526764861874	Lombardo	logCL
COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O	0.8195439355418687	Lombardo	logCL
CN1C=CNC1=S	0.568201724066995	Lombardo	logCL
CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O	1.0791812460476249	Lombardo	logCL
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	0.3222192947339193	Lombardo	logCL
COc1c2c(ccc(=O)o2)cc3c1occ3	1.0791812460476249	Lombardo	logCL
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O	0.5440680443502757	Lombardo	logCL
c12c3C=4[C@H]([N@@](C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)Cc1c[nH]c2ccc3	0.8561244442423003	Lombardo	logCL
C[N+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CCC5=O)c46	1.3424226808222062	Lombardo	logCL
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]13	1.3010299956639813	Lombardo	logCL
COC(=O)C(C1CCCCN1)c2ccccc2	0.9740509027928773	Lombardo	logCL
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14	0.785329835010767	Lombardo	logCL
CSCO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)C)C(=O)[C@]13C)C5(C)C)C	0.8061799739838872	Lombardo	logCL
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC	0.7558748556724915	Lombardo	logCL
COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5	0.07918124604762482	Lombardo	logCL
CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N	0.146128035678238	Lombardo	logCL
CS(=O)(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCC(CC4)C(=O)N	1.0842186867392387	Lombardo	logCL
COCCc1ccc(OCC(O)CNC(C)C)cc1	1.1139433523068367	Lombardo	logCL
CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I	0.43136376415898736	Lombardo	logCL
Cc1ncc(N(=O)=O)n1CCO	-0.07058107428570728	Lombardo	logCL
CC(N)COc1c(C)cccc1C	0.919078092376074	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2[C@H]1C(=O)O	0.3222192947339193	Lombardo	logCL
N12[C@@H](c3c(cccc3)Cc3c1cccc3)C[N@@](C)CC2	1.3404441148401183	Lombardo	logCL
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4[C@@H]1C(C)C	0.6020599913279624	Lombardo	logCL
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(=O)O)C)CCC(=O)N)C(C)C)Cc3ccccc3)CC(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc5ccc(cc5)O)CC(=O)N)CC(=O)O)CCCCN)CCCNC(=N)N)CCCNC(=N)N	1.8332108802826088	Lombardo	logCL
CCCCCOc1ccc(cc1)c2onc(c2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)C(NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)c(OS(=O)(=O)O)c7)[C@H](O)CC(=O)N	-0.769551078621726	Lombardo	logCL
c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl	0.9768083373380663	Lombardo	logCL
C1C[C@@H](N)[C@H](O[C@@H]1CNC)O[C@@H]1[C@@H]([C@H]([C@@H](C[C@@H]1N)N)O[C@@H]1[C@@H]([C@H]([C@](CO1)(O)C)NC)O)O	0.04139268515822508	Lombardo	logCL
Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12	0.724275869600789	Lombardo	logCL
c1(c(ccc(c1)OC)OC)[C@@H](CNC(CN)=O)O	1.4456042032735976	Lombardo	logCL
OC[C@@H](O)[C@@H](O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](C)C(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(N)=O)[C@H](C=O)NC(C)=O	1.6875289612146342	Lombardo	logCL
C1=2[C@H]([C@H]3[C@]([C@@](C#CC)(O)CC3)(C)C[C@@H]1c1ccc(N(C)C)cc1)CCC=1C2CCC(C1)=O	-0.3010299956639812	Lombardo	logCL
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	0.2304489213782739	Lombardo	logCL
C(CCN[N+](C)(C)C)([O-])=O	0.4471580313422192	Lombardo	logCL
C1[C@@H]([C@@]1(C(=O)N(CC)CC)c1ccccc1)CN	0.9122220565324155	Lombardo	logCL
CC1=C(C=C(C#N)C(=O)N1)c2ccncc2	0.7923916894982539	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C	0.07918124604762482	Lombardo	logCL
c1(N2CCCCC2)cc(n(=O)c(n1)N)N	1.0606978403536116	Lombardo	logCL
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])S[C@H]3C[C@@H](O[C@@H]3COP(=O)([O-])S[C@H]4C[C@@H](O[C@@H]4COP(=O)([O-])S[C@H]5C[C@@H](O[C@@H]5COP(=O)([O-])S[C@H]6C[C@@H](O[C@@H]6COP(=O)([O-])S[C@H]7C[C@@H](O[C@@H]7COP(=O)([O-])S[C@H]8C[C@@H](O[C@@H]8COP(=O)([O-])S[C@H]9C[C@@H](O[C@@H]9COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n1cc(c(nc1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n1cc(c(=O)[nH]c1=O)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n1cc(c(nc1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n1cc(c(nc1=O)N)C)COP(=O)([O-])S[C@@H]1[C@H](O[C@H]([C@@H]1OCCOC)n1cnc2c1nc([nH]c2=O)N)CO)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1cc(c(=O)[nH]c1=O)C)n1cc(c(nc1=O)N)C)n1cc(c(=O)[nH]c1=O)C)n1cnc2c1nc([nH]c2=O)N)n1cc(c(nc1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)SP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(nc1=O)N)C)SP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)n1cc(c(nc1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)n1cnc2c1ncnc2N)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)n1cc(c(nc1=O)N)C)OCCOC)SP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)n1cc(c(nc1=O)N)C)OCCOC)O	-0.17392519729917355	Lombardo	logCL
O=C(Cc1csc(N)n1)Nc3ccc(CCNC[C@H](O)c2ccccc2)cc3	1.1335389083702174	Lombardo	logCL
CN1CCN2C(C1)c3ccccc3Cc4cccnc24	0.9030899869919435	Lombardo	logCL
c12c3cccc1cc(cc2C(=O)N(C3=O)CCN(C)C)[N+](=O)[O-]	1.5390760987927767	Lombardo	logCL
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12	0.8976270912904415	Lombardo	logCL
COc1cc2CC[N+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4C3Cc5cc(OC)c(OC)c(OC)c5)C(Cc6cc(OC)c(OC)c(OC)c6)c2cc1OC	0.7160033436347992	Lombardo	logCL
n1(Cc2ccc(cc2)F)c(N2CCC(CC2)N(C)c2nccc([nH]2)=O)nc2c1cccc2	0.012837224705172217	Lombardo	logCL
Clc1ccc(cc1)C(=O)NCCN2CCOCC2	1.0	Lombardo	logCL
C(c1ccccc1)C[C@H](N[C@H](C(N1Cc2c(C[C@H]1C(O)=O)cc(OC)c(c2)OC)=O)C)C(OCC)=O	0.7993405494535817	Lombardo	logCL
[n+]1(N2CCOCC2)cc([NH-]C(OCC)=O)on1	1.0413926851582251	Lombardo	logCL
C(c1ccco1)(=O)O[C@]1([C@@]2([C@H]([C@@H]3[C@]([C@@]4(C(=CC(=O)C=C4)CC3)C)(Cl)[C@H](C2)O)C[C@H]1C)C)C(CCl)=O	1.1038037209559568	Lombardo	logCL
CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3	-0.16749108729376366	Lombardo	logCL
OC(CN1CCOCC1)Cn2c(cnc2C)[N+]([O-])=O	0.2041199826559248	Lombardo	logCL
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35	1.414973347970818	Lombardo	logCL
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)c35	0.3424226808222063	Lombardo	logCL
CO[C@]1(NC(=O)[C@H](C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C	-0.14266750356873156	Lombardo	logCL
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O	0.38021124171160603	Lombardo	logCL
COc1nc(C)nc(Cl)c1NC2=NCCN2	1.0413926851582251	Lombardo	logCL
c12c(c(c(C\C=C(\CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2	0.367355921026019	Lombardo	logCL
CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12	0.4623979978989561	Lombardo	logCL
c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N	1.9136019497291574	Lombardo	logCL
c1(c2c(cccc2)[nH]c1)C[C@@H](NC([C@@H](Cc1c[nH]cn1)NC([C@@H]1CCC(N1)=O)=O)=O)C(N[C@@H](C(N[C@@H](Cc1ccc(O)cc1)C(N[C@@H](Cc1cc2c(cccc2)cc1)C(N[C@@H](C(N[C@@H](C(N1[C@@H](CCC1)C(NCC(N)=O)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)=O)CO)=O	-0.14266750356873156	Lombardo	logCL
CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O	0.5185139398778874	Lombardo	logCL
c1ccc2ccccc2c1OC[C@@H](CN1CCN(CC1)c1c(cccc1)OC)O	1.0413926851582251	Lombardo	logCL
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45	1.3424226808222062	Lombardo	logCL
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=C)CC[C@@]36O	1.1760912590556813	Lombardo	logCL
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O	1.3617278360175928	Lombardo	logCL
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O	1.7558748556724915	Lombardo	logCL
CCN(CC)CCOC(=O)C(Cc1cccc2c1cccc2)CC3CCCO3	1.0334237554869496	Lombardo	logCL
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O	-1.154901959985743	Lombardo	logCL
NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(=O)O)C4CC4)C1	0.8061799739838872	Lombardo	logCL
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1	0.8195439355418687	Lombardo	logCL
CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O	0.25527250510330607	Lombardo	logCL
C[C@H](c1c2ccccc2sc1CCN(C)C)c1ccccn1	0.725094521081469	Lombardo	logCL
CN(C)CCC1Cc2cc(ccc2C=1Cc1cccnn1)F	0.367355921026019	Lombardo	logCL
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1	0.5314789170422551	Lombardo	logCL
C[C@@H](c1cccnc1F)c1c2ccccc2sc1CCN(C)C	1.0170333392987803	Lombardo	logCL
O[C@@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3	1.146128035678238	Lombardo	logCL
O1[Pt](OC(=O)C1)(N)	0.6074550232146685	Lombardo	logCL
c12c(c3c(c(cc(o3)C(O)=O)=O)cc1c(cc(n2CC)C(O)=O)=O)CCC	1.0086001717619175	Lombardo	logCL
CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4	0.8750612633917001	Lombardo	logCL
CN1CCOC(c2ccccc2)c3ccccc3C1	1.0791812460476249	Lombardo	logCL
COc1nc(N)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O	1.9084850188786497	Lombardo	logCL
C(C(=C(N1C2CC2)C(=C2N(C[C@](C[C@]3([H])C)(N)[H])C3)OC)C=C2)(C(=C1)C(O)=O)=O	0.5797835966168101	Lombardo	logCL
c1(cccc2c1C(c1c(O)c3c(c(c1C2=O)O)C[C@](C(CO)=O)(O)C[C@@H]3O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[N@]1CCO[C@@H](C1)OC)=O)OC	1.1852587652965851	Lombardo	logCL
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C	0.9637878273455552	Lombardo	logCL
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C=CC=C1)=C1)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=CNC2)N=2)C(=O)O)C(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC2)N2C(=O)[C@@H](N)CO)C(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC1=O)=O)CO)=O)CO)=O)CO)=O)CO)=O	0.9637878273455552	Lombardo	logCL
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2N)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O	-0.2596373105057561	Lombardo	logCL
Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C	0.45178643552429026	Lombardo	logCL
Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12	-0.5228787452803376	Lombardo	logCL
C1CCN(C(c2cccnc2)=O)c2c1cccc2OC[C@@H](CNC(C)C)O	0.5563025007672873	Lombardo	logCL
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OCCN(C)Cc3ccccc3)C	1.0413926851582251	Lombardo	logCL
c1(C(NCCO[N+](=O)[O-])=O)cccnc1	0.9493900066449128	Lombardo	logCL
CN1CCC[C@H]1c2cccnc2	1.255272505103306	Lombardo	logCL
COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OC)C	0.8633228601204559	Lombardo	logCL
n1(c(=O)n(c(=O)cc1NCC[N@@](CCCc1ccc(cc1)[N+](=O)[O-])CCO)C)C	1.3199384399803087	Lombardo	logCL
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OC(C)C)C	1.1760912590556813	Lombardo	logCL
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5	1.2988530764097066	Lombardo	logCL
COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OCC(C)C)C	1.1760912590556813	Lombardo	logCL
O=C1CN=C(c2ccccc2)c3cc(ccc3N1)N(=O)=O	-0.06550154875643228	Lombardo	logCL
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N(=O)=O)C(=O)OC)C	1.3979400086720377	Lombardo	logCL
O=C1CN(\N=C\c2oc(cc2)N(=O)=O)C(=O)N1	0.9867717342662449	Lombardo	logCL
C(CO[N+](=O)[O-])(CO[N+](=O)[O-])O[N+](=O)[O-]	2.2884728005997825	Lombardo	logCL
CN\C(=C/N(=O)=O)\NCCSCc1csc(CN(C)C)n1	0.9912260756924949	Lombardo	logCL
COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4N(C)C)c6cc7OCOc7cc26	-0.3979400086720376	Lombardo	logCL
C(\[C@@H]1[C@@H]([C@@H](Cl)C[C@@H]1O)C\C=C\CCCC(O)=O)=C\[C@@H](C(CCCC)(C)C)O	1.1205739312058498	Lombardo	logCL
CN1CC(c2ccccc2)c3cccc(N)c3C1	1.3424226808222062	Lombardo	logCL
c12c(c(=O)c(cn1CC)C(=O)O)cc(c(c2)N1CCNCC1)F	0.8426092396105621	Lombardo	logCL
CCOC(=O)[C@@]1(CCC=C[C@H]1NC)c2ccccc2	0.9956351945975499	Lombardo	logCL
CNCCC=C1c2ccccc2CCc3ccccc13	1.0	Lombardo	logCL
CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3	1.2273724422896362	Lombardo	logCL
CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)CC2=CC=CC=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=CNC3=C2C=CC=C3)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1	0.37657695705651195	Lombardo	logCL
CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)F	-0.721246399047171	Lombardo	logCL
CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O	0.3979400086720376	Lombardo	logCL
O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)n1c(=O)[nH]c(=O)c(c1)F	0.13987908640123647	Lombardo	logCL
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N2CCC(CC2)N3Cc4ccccc4NC3=O)C(=O)N5CCN(CC5)c6ccncc6	0.414973347970818	Lombardo	logCL
[H]O[C@H]1[C@H](C)O[C@@H](C[C@@H]1OC)O[C@@H]1[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@@H]([C@@H](C)C([C@]2(C[C@H](C)[C@@H]([C@H]1C)O[C@@H]1[C@@H]([C@@H](C[C@H](C)O1)N(C)C)O[H])CO2)=O)O[H]	0.9590413923210935	Lombardo	logCL
COc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4	0.8382192219076258	Lombardo	logCL
c1(nc(c(n1Cc1ccc(cc1)c1c(cccc1)c1nnn[nH]1)C(=O)O)C(C)(C)O)CCC	-0.5376020021010439	Lombardo	logCL
O=C(N1)COC2=C1C=C(O)C=C2[C@@H](O)CNC(C)(CC3=CC=C(OC)C=C3)C	1.095169351431755	Lombardo	logCL
c1(c(cc(c(=O)[nH]1)C#N)c1ccc2n(c1)ccn2)C	1.0413926851582251	Lombardo	logCL
OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(=O)O	0.07918124604762482	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C	0.3692158574101428	Lombardo	logCL
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc(cc2)[C@@H]3CC[C@H](N3c4ccc(cc4)C(C)(C)C)c5ccc(cc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	0.22530928172586284	Lombardo	logCL
O=C([C@@H](N)CO)NC1=C(OC)C=CC(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)=C1	1.354108439147401	Lombardo	logCL
COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C	0.9242792860618817	Lombardo	logCL
Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C	0.7634279935629372	Lombardo	logCL
O[C@H](/C=C/[C@@H]1N(CCSCCCC(O)=O)C(CC1)=O)CC2=CC=C(F)C=C2	1.1983821300082942	Lombardo	logCL
[H]N(C(C)=O)c1ccc(cc1)C1[C@H](C)CC(N([H])N=1)=O	-0.3467874862246563	Lombardo	logCL
COc3cccc(c13)c(C(=O)N(CC2C)CCN2C)cn1CC4CCCCC4	0.47712125471966244	Lombardo	logCL
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]6C[C@](C)(N)[C@@H](O)[C@H](C)O6)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c8ccc(O)c(c8)c9c(O)cc(O)cc9[C@H](NC7=O)C(=O)O)c3O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O[C@H]%11C[C@](C)(NCc%12ccc(cc%12)c%13ccc(Cl)cc%13)[C@@H](O)[C@H](C)O%11)c(Cl)c2	-1.154901959985743	Lombardo	logCL
"n1(c(cnc1C)[N+](=O)[O-])C[C@@H](CCl)O
"	0.03342375548694973	Lombardo	logCL
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C	0.9095560292411753	Lombardo	logCL
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)C)C(=O)O	0.6812412373755872	Lombardo	logCL
[H]/N=C(/c1cccc(c1)C[C@H]([C@@H](C)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-])C(=O)OC)\N	0.8680563618230416	Lombardo	logCL
Cc1onc(c2ccccc2)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O	0.7993405494535817	Lombardo	logCL
C1CC[C@H]2[C@H](C1)N[Pt+2]3(N2)[O-]C(=O)C(=O)[O-]3	-1.0	Lombardo	logCL
OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O	0.04139268515822508	Lombardo	logCL
NC(=O)CN1CC(O)CC1=O	0.25527250510330607	Lombardo	logCL
c1(c(cccc1)OC[C@@H](CNC(C)C)O)OCC=C	0.8864907251724818	Lombardo	logCL
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2	0.7075701760979364	Lombardo	logCL
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O	0.785329835010767	Lombardo	logCL
C1C[C@@H]2[C@H]3CCC[N@+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]	0.884228769632604	Lombardo	logCL
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	0.3010299956639812	Lombardo	logCL
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C	0.8061799739838872	Lombardo	logCL
O1[C@@H](O[C@@]23[C@@]4([C@@H]([C@@]5(C[C@@]2(C)O[C@@H]4O5)O)C3)COC(=O)c2ccccc2)[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	0.31175386105575426	Lombardo	logCL
Cc1c(c(=O)n2c(n1)C(CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F	0.07188200730612536	Lombardo	logCL
O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5	0.414973347970818	Lombardo	logCL
C(P(O)(O)=O)(P(O)(O)=O)(CCN)O	0.3979400086720376	Lombardo	logCL
c1c(c(cc(c1Cl)N)OCC2CC2)C(=O)NC3CN4CCC3CC4	0.7160033436347992	Lombardo	logCL
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1[N+]6(C)CCCCC6	0.17609125905568124	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C	0.414973347970818	Lombardo	logCL
Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO	1.0086001717619175	Lombardo	logCL
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC	0.3424226808222063	Lombardo	logCL
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC	1.0413926851582251	Lombardo	logCL
C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C3C[C@@H](O)C[C@H](O)C3)\CCC[C@]12C	-0.05060999335508721	Lombardo	logCL
Cc1cnc(cn1)C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c6ccccc6c7ccccc7n5)C(=O)NS(=O)(=O)C8CC8	0.7589118923979735	Lombardo	logCL
Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3	1.255272505103306	Lombardo	logCL
[C@H]12C[C@H](OC(=O)C[C@@H](C(C(=O)[C@H]([C@H]([C@H](CCC[C@]1(O2)C)C)O)C)(C)C)O)C(=C\c1nc(sc1)C)\C	0.3364597338485295	Lombardo	logCL
Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C	-1.2218487496163564	Lombardo	logCL
C1(CC1)(c1c(cc2c(=O)c(cn3[C@H](COc1c23)C)C(O)=O)F)N	0.6875289612146344	Lombardo	logCL
CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3	0.3010299956639812	Lombardo	logCL
c12c(Cc3cccnc3)c[nH]c1c([nH]c(n2)N)=O	0.7923916894982539	Lombardo	logCL
[H]N(Cc1cccnc1)C1=C(C#N)C(N=C(C)N1[H])=O	0.7634279935629372	Lombardo	logCL
c12c(c[nH]c1nc(N)[nH]c2=O)CCc1ccc(C(N[C@H](CCC(=O)O)C(=O)O)=O)cc1	0.11394335230683679	Lombardo	logCL
NC1=NC(=O)c2ncn(CCC(CO)CO)c2N1	0.9242792860618817	Lombardo	logCL
c1(c(c(c(Cl)c(n1)OC)OC)Cl)C(Cl)(Cl)Cl	1.4756711883244296	Lombardo	logCL
c1(ccccc1)[C@@](O)(C1CCCC1)CO[C@@H]1CN2CCC1CC2	0.29885307640970665	Lombardo	logCL
CC(C)([C@H](C(=O)O)N)S	1.0273496077747566	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O	0.8388490907372553	Lombardo	logCL
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1	1.8692317197309762	Lombardo	logCL
CC1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C	1.3617278360175928	Lombardo	logCL
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O	-0.3279021420642826	Lombardo	logCL
n1(c2c(nc1)[C@@H](CNC=N2)O)[C@@H]1O[C@H]([C@@H](C1)O)CO	0.21218760440395779	Lombardo	logCL
CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C	1.591064607026499	Lombardo	logCL
c1ccc(cc1)n2cc(cc(c2=O)c3ccccc3C#N)c4ccccn4	-1.0	Lombardo	logCL
C(C(F)(F)F)(C(F)(F)F)(F)F	2.771374322996021	Lombardo	logCL
CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C(=O)O	0.2304489213782739	Lombardo	logCL
OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	1.4313637641589874	Lombardo	logCL
c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	0.9084850188786497	Lombardo	logCL
CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6	0.3521825181113625	Lombardo	logCL
ON(CC1)C(C2=C1C(C=C3)=C(C=N2)N3CC4=C(OC)C=C(F)C=C4)=O	1.380211241711606	Lombardo	logCL
CCOc1ccc(NC(=O)C)cc1	1.3222192947339193	Lombardo	logCL
c12C(=NCC(=O)Nc1ccc(c2)Br)c1c(cccc1)Cl	-1.3010299956639813	Lombardo	logCL
C1CCN(CC1)C2(CCCCC2)c3ccccc3	0.7075701760979364	Lombardo	logCL
CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O	0.6232492903979004	Lombardo	logCL
CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	-1.2006594505464183	Lombardo	logCL
CCOC(=O)C1(CCN(CC1)CCC(c2ccccc2)O)c3ccccc3	1.3424226808222062	Lombardo	logCL
C1C(=Cc2c(O1)cc(cc2)O)c1ccc(cc1)O	1.7715874808812553	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O	0.8325089127062363	Lombardo	logCL
c1([C@@H](c2ccccc2)CC)c(c2c(cccc2)oc1=O)O	-1.6989700043360187	Lombardo	logCL
N(c1cc(ccc1)O)(c1ccc(C)cc1)CC=1NCCN1	1.6232492903979006	Lombardo	logCL
c1ccc(cc1)C2(C(=O)NC(=O)N2)c3ccccc3	-0.431798275933005	Lombardo	logCL
c12c(C(C(C)=C(C1=O)C\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)=O)cccc2	0.2041199826559248	Lombardo	logCL
c12[C@@]3([C@@H](N(C)c1ccc(c2)OC(NC)=O)[N@@](C)CC3)C	1.8573324964312685	Lombardo	logCL
o1c(=O)c(c(c2ccc(cc12)OCCCN1CCN(CC1)Cc1ccc(cc1)Cl)C)C	0.11394335230683679	Lombardo	logCL
C1[C@H](N(CS1)C([C@@H]1CCC(N1)=O)=O)C(O)=O	0.06445798922691845	Lombardo	logCL
Ic1cc(F)c(Nc2c(C(=O)NC[C@H](O)CO)ccnc2)cc1	0.9400181550076633	Lombardo	logCL
COc1ccc(cc1)c2nc3cc(ccc3[nH]2)C4=NNC(=O)CC4C	1.146128035678238	Lombardo	logCL
C(=N\c1ccncc1)(\N[C@@H](C(C)(C)C)C)NC#N	0.7543483357110189	Lombardo	logCL
CC(C)NCC(O)COc1cccc2[nH]ccc12	0.8864907251724818	Lombardo	logCL
c1ccc([C@H]2Oc3cc(O)cc(c3C(C2)=O)O)cc1	1.4313637641589874	Lombardo	logCL
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)N5CC[N+](C)(C)CC5)[C@@]2(C)C[C@@H]1N6CC[N+](C)(C)CC6	0.47712125471966244	Lombardo	logCL
c12c(c(c(C(O)=O)cn1CC)=O)cnc(n2)N1CCNCC1	0.45331834004703764	Lombardo	logCL
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O	0.6020599913279624	Lombardo	logCL
Oc1ccc(cc1)/C=C/C(=O)CCN(C)CCc2ccc3OCOc3c2	2.8530895298518657	Lombardo	logCL
N[C@@H]1[C@@H]([C@@H](O[C@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](C2)(O)C(CO)=O)C1)C)O[C@@H]1CCCCO1	1.7611758131557314	Lombardo	logCL
N1(c2c(NC(c3c1cccc3)=O)cccn2)C(CN1CCN(C)CC1)=O	0.4424797690644486	Lombardo	logCL
NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O	0.4913616938342727	Lombardo	logCL
NC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)N4CCCCC4	0.8920946026904804	Lombardo	logCL
C[C@@H]1CCC[C@H](C)N1CCCC(O)(c2ccccc2)c3ccccn3	0.25527250510330607	Lombardo	logCL
c1(c([nH]c([nH]1)=O)CC)C(c1ccncc1)=O	0.9556877503135057	Lombardo	logCL
c12ccccc1c(c(c(n2)C1CC1)\C=C\[C@H](C[C@H](CC(=O)O)O)O)c1ccc(cc1)F	0.7671558660821804	Lombardo	logCL
c1nccc2C(c3c(C(c12)=O)c(ccc3NCCN)NCCN)=O	1.2479732663618066	Lombardo	logCL
c1(nc(cc2ccccc12)C(=O)N([C@@H](CC)C)C)c1c(cccc1)Cl	0.7708520116421442	Lombardo	logCL
O([C@@H]([C@H](NC([C@H](CCN)O)=O)C1)[C@@H](O)[C@@H]([C@H]1N)O[C@@]1([C@H](N)CC=C(O1)CNCCO)[H])[C@]([C@H](O)[C@@H](NC)[C@@]1(C)O)(OC1)[H]	0.05690485133647256	Lombardo	logCL
c1(=C\c2c([nH]cn2)C(C)(C)C)\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O	0.8692317197309762	Lombardo	logCL
CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C	0.9057958803678685	Lombardo	logCL
Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(cc(c5c4)S(=O)(=O)O)S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc6cc(C(=O)Nc7ccc8cc(cc(c8c7)S(=O)(=O)O)S(=O)(=O)O)n(C)c6	-2.3279021420642825	Lombardo	logCL
CCC/N=C\1/N(C(=O)/C(=C/c2ccc(c(c2)Cl)OC[C@@H](CO)O)/S1)c3ccccc3C	-0.045757490560675115	Lombardo	logCL
c1c(n2c(n([C@@H](CC)[C@@H](O)C)nc2)=O)ccc(N2CCN(c3ccc(OC[C@@H]4C[C@](OC4)(Cn4cncn4)c4c(cc(cc4)F)F)cc3)CC2)c1	0.6334684555795865	Lombardo	logCL
N(CCO[S](C)(=O)=O)(CC[Br])C(=C(C(NCCO[P](=O)(O)O)=O)C=C1N(=O)=O)C(N(=O)=O)=C1	1.651278013998144	Lombardo	logCL
c1(ccc(NC(C)=O)cc1)OC[C@@H](CNC(C)C)O	0.35793484700045375	Lombardo	logCL
C#CC[C@H](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	0.43136376415898736	Lombardo	logCL
C#CC[C@@H](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	0.7781512503836436	Lombardo	logCL
c1([n+](cccc1)C)\C=N\O	0.9542425094393249	Lombardo	logCL
c12c(C[C@H](CC2)NCCC)sc(n1)N	0.8573324964312685	Lombardo	logCL
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O	1.1846914308175989	Lombardo	logCL
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]12	1.146128035678238	Lombardo	logCL
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4	0.6720978579357175	Lombardo	logCL
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	0.4623979978989561	Lombardo	logCL
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	0.3979400086720376	Lombardo	logCL
c1(ccc(O)cc1)OC[C@H](CNC(C)C)O	1.3443922736851108	Lombardo	logCL
COc1cccc(OCCCN)c1c2cc(Nc3cnc(cn3)C#N)n[nH]2	1.5314789170422551	Lombardo	logCL
C(=C1\[C@@H]([N+](CC)(CC)CC1)C)(\c1ccccc1)c1ccccc1	1.0969100130080565	Lombardo	logCL
CCCNC(C)C(=O)Nc1ccccc1C	1.462397997898956	Lombardo	logCL
COc1cc(NC(C)CCCN)c2ncccc2c1	0.7634279935629372	Lombardo	logCL
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O	-0.6020599913279624	Lombardo	logCL
CCN(CC)CCNC(=O)c1ccc(N)cc1	1.0	Lombardo	logCL
CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1	1.2041199826559248	Lombardo	logCL
OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3	-0.06550154875643228	Lombardo	logCL
CN(C)CCCN1c2ccccc2Sc3ccccc13	1.146128035678238	Lombardo	logCL
CC(CN1c2ccccc2Sc3ccccc13)N(C)C	1.146128035678238	Lombardo	logCL
CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2	1.2041199826559248	Lombardo	logCL
CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	0.367355921026019	Lombardo	logCL
c1(ccccc1)C(C(=O)OC1CCN(CC1)C)(OCCC)c1ccccc1	0.46834733041215726	Lombardo	logCL
CC(C)c1cccc(C(C)C)c1O	1.5563025007672873	Lombardo	logCL
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2	1.1760912590556813	Lombardo	logCL
CC(C)NCC(O)COc1cccc2ccccc12	1.0791812460476249	Lombardo	logCL
CCCC1=CC(=O)NC(=S)N1	0.4913616938342727	Lombardo	logCL
c12c(n(c(=O)nc1c1ccccc1)C(C)C)cc(C)cc2	0.9754318085092629	Lombardo	logCL
CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)O	0.06818586174616162	Lombardo	logCL
COCCCN1CCC(CC1)NC(=O)c2cc(c(c3c2OCC3)N)Cl	0.6580113966571124	Lombardo	logCL
Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c56)c78	-0.20760831050174613	Lombardo	logCL
N(Nc1nccnc1)=O	1.1798389280231867	Lombardo	logCL
CN(C)C(=O)Oc1ccc[n+](C)c1	0.9822712330395684	Lombardo	logCL
CCc1nc(N)nc(N)c1c2ccc(Cl)cc2	-1.2839966563652008	Lombardo	logCL
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3	1.0413926851582251	Lombardo	logCL
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13	0.7075701760979364	Lombardo	logCL
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O	-0.03151705144606486	Lombardo	logCL
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1	0.6020599913279624	Lombardo	logCL
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1	0.2787536009528289	Lombardo	logCL
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)[C@H](CS[C@@H]4CN5CCC4CC5)CN3C(=O)C(Cc6ccc(cc6)N(C)C)N(C)C(=O)[C@@H]7CCCN7C1=O)c8ccccc8	1.2041199826559248	Lombardo	logCL
c1c(cc2[nH]c(n3C[C@@H]([N@@](Cc1c23)C\C=C(\C)C)C)=S)Cl	1.0174507295105362	Lombardo	logCL
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C	0.6020599913279624	Lombardo	logCL
c1(c(c(cc(c1O)Cl)Cl)OC)C(=O)NC[C@H]1N(CCC1)CC	0.07918124604762482	Lombardo	logCL
c1(c(c2ccc(O)cc2)sc2c1ccc(c2)O)C(c1ccc(OCCN2CCCCC2)cc1)=O	1.0334237554869496	Lombardo	logCL
c1c(sc(N(Cc2cc3c(cc2)[nH]c(nc3=O)C)C)c1)C(=O)N[C@@H](CCC(O)=O)C(=O)O	-0.045757490560675115	Lombardo	logCL
c1c2OCCc2c2[C@H](CCNC(CC)=O)CCc2c1	1.1172712956557642	Lombardo	logCL
CN\C(=C/N(=O)=O)\NCCSCc1oc(CN(C)C)cc1	0.9822712330395684	Lombardo	logCL
c1(c(cccc1)OC)OC[C@@H](CN1CCN(CC(Nc2c(cccc2C)C)=O)CC1)O	0.9777236052888477	Lombardo	logCL
CCOc1ccccc1O[C@@H]([C@H]2CNCCO2)c3ccccc3	-0.08618614761628333	Lombardo	logCL
CC(C)NCCCNC(=O)Nc1c(C)cccc1C	0.6532125137753437	Lombardo	logCL
OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)nc(nc12)n1ncc(c1)C(=O)NC	0.8633228601204559	Lombardo	logCL
CCC(=O)N(c1ccccc1)C2(CCN(CCC(=O)OC)CC2)C(=O)OC	1.568201724066995	Lombardo	logCL
[H]N(C([C@@H](Cc1ccccc1)CS(C(C)(C)C)(=O)=O)=O)[C@@H](Cc1cn([H])cn1)C(N([H])[C@@H](CC1CCCCC1)[C@H](C(C1CC1)O[H])O[H])=O	1.0644579892269184	Lombardo	logCL
Brc3cc2\C(=N/[C@H](c1ncc(n1c2cc3)C)CCC(=O)OC)c4ncccc4	1.1766699326681496	Lombardo	logCL
CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC	0.2304489213782739	Lombardo	logCL
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O	0.8920946026904804	Lombardo	logCL
O=C1N(CCCCNC[C@H]2CCc3ccccc3O2)S(=O)(=O)c4ccccc14	0.3424226808222063	Lombardo	logCL
N(C(=O)NN1CCOCC1)c1c2C(=O)c3c([nH]nc3c3ccc(cc3)CN3CCN(CC3)CCOC)c2ccc1	1.0606978403536116	Lombardo	logCL
NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O	0.7160033436347992	Lombardo	logCL
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O	0.17609125905568124	Lombardo	logCL
[H]OC(CCCCON=C(c1cccc(c1)C(F)(F)F)c1cccnc1)=O	0.021189299069938092	Lombardo	logCL
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)NC(=O)\C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C	0.38021124171160603	Lombardo	logCL
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCN(C)CC5)c(O)c4c3C2=O	0.5440680443502757	Lombardo	logCL
COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC	0.17897694729316943	Lombardo	logCL
C1CC1C(C2CC2)NC3=NCCO3	0.8512583487190752	Lombardo	logCL
s1c(nc2c1cc(cc2)OC(F)(F)F)N	1.0530784434834197	Lombardo	logCL
CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)NCCNC(=O)COc5cccc(c5)[C@@H](CCc6ccc(c(c6)OC)OC)OC(=O)[C@@H]7CCCCN7C(=O)[C@@H](CC)c8cc(c(c(c8)OC)OC)OC	0.8202014594856403	Lombardo	logCL
CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC	-0.13076828026902382	Lombardo	logCL
OC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)O	0.17609125905568124	Lombardo	logCL
CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1	0.7323937598229685	Lombardo	logCL
CC1=C(CCN2CCC(CC2)=C(c2ccc(cc2)F)c2ccc(cc2)F)C(N2C=CSC2=N1)=O	-0.2924298239020636	Lombardo	logCL
C1(=O)N2[C@@H]([C@H]1[C@H](O)C)SC(COC(N)=O)=C2C(=O)[O-].[Na+]	0.8779469516291882	Lombardo	logCL
C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c2ccc(O)cc2	1.4913616938342726	Lombardo	logCL
C1OCCN(c2ccc(cc2)N2C(O[C@H](C2)CNC(c2sc(cc2)Cl)=O)=O)C1=O	0.38021124171160603	Lombardo	logCL
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C	1.0791812460476249	Lombardo	logCL
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	1.2041199826559248	Lombardo	logCL
O=C(C(C(Cl)=CC=C1)=C1C)N[C@H](C(O)=O)CC2=CC=C(NC(C(C(Cl)=CN=C3)=C3Cl)=O)C=C2	0.568201724066995	Lombardo	logCL
[H]N([H])c1nc(cs1)C(C(N([H])[C@@H]1C(N2C(=C(CS[C@H]12)C=C1CCN(CC(F)(F)F)C1=O)C(=O)O[H])=O)=O)=NO[H]	-0.42021640338318983	Lombardo	logCL
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[N+]6(CC=C)CCCC6	0.568201724066995	Lombardo	logCL
c1ccc(cc1)C=1C(=O)OCC1c1ccc(cc1)S(=O)(=O)C	0.3010299956639812	Lombardo	logCL
C(=O)(c1ccc(c(c1)OCC1CC1)OC(F)F)Nc1c(cncc1Cl)Cl	0.3424226808222063	Lombardo	logCL
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)c4ccccc4	-0.42021640338318983	Lombardo	logCL
c1(c(ccc(c1)[C@@H]1CNC(C1)=O)OC)OC1CCCC1	0.7993405494535817	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O	-0.01322826573375516	Lombardo	logCL
C12CC3C(C1)(CC(C3)C2)c1nc2n(c(=O)n(c(=O)c2[nH]1)CCC)CCC	0.6989700043360189	Lombardo	logCL
C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C	0.8692317197309762	Lombardo	logCL
N1C(Cc2c1cccc2CCN(CCC)CCC)=O	1.4771212547196624	Lombardo	logCL
CCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C	0.7403626894942439	Lombardo	logCL
CN(C(=O)C1=C(O)c2ccccc2N(C)C1=O)c3ccccc3	-1.0861861476162833	Lombardo	logCL
C1=CC([C@@H](C[C@@H]([C@@H]([C@@H](C)[C@@H](CC(O[C@@H]([C@@H](C)[C@@H]2O[C@@]12C)CC)=O)O)O[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)N(C)C)C)CC=O)C)=O	1.1238516409670858	Lombardo	logCL
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3	-0.18708664335714442	Lombardo	logCL
CC(C)c1nc(nc(c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(=O)(=O)C	1.0413926851582251	Lombardo	logCL
c12c(CC[C@@H](C1)[N@@](CCc1cccs1)CCC)c(ccc2)O	1.568201724066995	Lombardo	logCL
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3cccc4c3ccs4	0.47712125471966244	Lombardo	logCL
CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34	0.6344772701607315	Lombardo	logCL
C1[N@@]2CC=C[C@@]3([C@@H]([C@@]([C@@H]4N(C)c5cc(OC)c(cc5[C@@]4(C1)[C@@H]23)[C@@]1(c2c(CC[N@@]3C[C@@](C[C@@H](C1)C3)(O)CC)c1ccccc1[nH]2)C(OC)=O)(O)C(=O)N[C@@H](C(C)C)P(OCC)(=O)OCC)O)CC.S(=O)(=O)(O)O	0.5440680443502757	Lombardo	logCL
C(OC(/C=C/C(=C1NC(/C=C/C(O)=O)=O)C=C(C=C1)O)=O)[C@@](C([C@@]([C@]1(C(O)=O)CC2)(CC2(C)C)[H])=CC2)([C@@](C)([C@]2([C@](C)([C@@]2(C(C)(C)C(C3)=O)[H])C3)[H])CC2)CC1	0.8808135922807914	Lombardo	logCL
[H]O[C@H](CN1CCC(CC1)N(C)c1nc2ccccc2s1)COc1ccc(cc1)F	0.6074550232146685	Lombardo	logCL
C[C@@H](C(=O)N)NCc1ccc(cc1)OCc2cccc(c2)F	0.06818586174616162	Lombardo	logCL
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2[C@@H]([C@H](O3)c4ccc(c(c4)O)O)C(=O)OC(Cc5ccc(c(c5)O)O)C(=O)O)O)O)O	0.8555191556678001	Lombardo	logCL
c1(C2(C(=O)N(C)CC)CCN(CC2)CCCCCC)ccccc1	1.380211241711606	Lombardo	logCL
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4	1.1139433523068367	Lombardo	logCL
O=C(NC1=NC2=CC=C(C=C2S1)SC3=NN=C4C=CC(C5=CC=C(C=C5)F)=NN43)NCCN6CCOCC6	0.9211660506377387	Lombardo	logCL
CN(CC(=O)N)C(=O)N(CCCl)N=O	0.9542425094393249	Lombardo	logCL
c12c(C(=N)N)cccc1\C(=N\NC(=N)N)CC2	0.505149978319906	Lombardo	logCL
C1C[C@H](CC[C@@]21c1cc(OCC)ccc1N(S(=O)(c1c(cc(C(NC(C)(C)C)=O)cc1)OC)=O)C2=O)OCCN1CCOCC1	1.089905111439398	Lombardo	logCL
N1([C@H](CC2[C@H]1C2)C#N)C(=O)[C@@H](C12CC3CC(C1)(O)CC(C3)C2)N	0.8512583487190752	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(=O)O)SCCOC(=O)N	0.8750612633917001	Lombardo	logCL
CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4	1.2041199826559248	Lombardo	logCL
c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	1.6681994841986618	Lombardo	logCL
C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)N)O	0.8280150642239769	Lombardo	logCL
C([C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@@H](C(N[C@@H](C(C)C)C(O)=O)=O)CC(C)C)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCC(N)=O)=O)CC(C)C)=O)CCCNC(N)=N)=O)C)=O)CO)=O)CC(O)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)CCCNC(N)=N)=O)CO)=O)CC(C)C)=O)CCC(O)=O)=O)CO)=O)[C@@H](C)O)=O)NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](Cc1[nH]ccn1)N)=O)CO)=O)CC(O)=O)=O)=O)[C@@H](C)O)=O)c1ccccc1	0.7745169657285496	Lombardo	logCL
CC(Cc1ccccc1)N(C)CC#C	1.3010299956639813	Lombardo	logCL
CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)C)cc1	0.568201724066995	Lombardo	logCL
N1C(\C(c2ccccc12)=C/c1[nH]c(cc1C)C)=O	1.146128035678238	Lombardo	logCL
CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O	1.271841606536499	Lombardo	logCL
"C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](Cc1ccc(O)cc1)N)=O)C)=O)CC(O)=O)=O)C)=O)[C@@H](CC)C)=O)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](Cc1ccc(O)cc1)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](CCCNC(N)=N)C(N)=O)=O)CO)=O)CCSC)=O)[C@@H](CC)C)=O)CC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCCN)=O)CCCNC(N)=N)=O)C)=O)CO)=O)CC(C)C)=O)CCC(N)=O)=O)=O)CC(C)C)=O)C(C)C)=O)CCCCN)=O)CCCNC(N)=N)=O)=O)CO)=O)CC(N)=O)=O)[C@@H](C)O)=O)c1ccccc1
"	1.5943925503754266	Lombardo	logCL
[Si](C(C)(C)C)(C)(C)C(=C1C(C(N(C1)C(=O)C1=C2[C@](CC)(O)C(OC1)=O)=C2)=N1)C(C1=CC1)=CC=1O	0.7781512503836436	Lombardo	logCL
c1(c2nc3c(c(=O)[nH]2)n(nc3CCC)C)c(ccc(c1)S(=O)(=O)N1CCN(CC1)C)OCC	0.9542425094393249	Lombardo	logCL
C(O)CCN1c2c(cc(C[C@H](NCCOc3c(cccc3)OCC(F)(F)F)C)cc2CC1)C(=O)N	0.4471580313422192	Lombardo	logCL
C(CON(=O)=O)N1COc2ccccc2C1=O	1.471144965160633	Lombardo	logCL
c1(c2c(nc(N3CCN(C)CC3)nc2)N)c(c(cc(c1)Cl)Cl)Cl	1.320146286111054	Lombardo	logCL
CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O	0.0	Lombardo	logCL
N[C@@H]1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN([C@@H]5C[C@@H]5F)c4c3Cl)C(=O)O	0.568201724066995	Lombardo	logCL
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F	0.7781512503836436	Lombardo	logCL
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C	-1.6989700043360187	Lombardo	logCL
O=C(N(CCC1)[C@@H]1C(N[C@]([C@@H](C)CC)([H])C(N[C@H](C(N[C@]([C@H](O)C)([H])C(N[C@H](C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(NCC(N[C@@H](CCC(N)=O)C(N[C@H](C(O)=O)CCO)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CC=C(O)C=C2)=O)=O)CC3=CC=CC=C3)=O)=O)[C@H](C(C)C)NC([C@@H](N)CC4=CC=CC=C4)=O	0.9074113607745862	Lombardo	logCL
N1CCC(CC1)C(=O)Nc1sc(cn1)SCc1oc(cn1)C(C)(C)C	1.1139433523068367	Lombardo	logCL
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C	0.2041199826559248	Lombardo	logCL
CC1=CC[C@H](C[C@@H]1O)C(C)(C)O	0.43136376415898736	Lombardo	logCL
O=C(O[C@H]1CN2CCC1CC2)N3CCc4ccccc4[C@@H]3c5ccccc5	0.3222192947339193	Lombardo	logCL
CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1	0.3010299956639812	Lombardo	logCL
C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O	0.43136376415898736	Lombardo	logCL
[H]N(C(CP(=O)(O[H])O[H])=O)[C@@H](CC(=O)O[H])C(=O)O[H]	0.08635983067474821	Lombardo	logCL
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O	-0.004364805402450088	Lombardo	logCL
O1[C@H](CC[C@@H](N(C)C)[C@@H]1C)O[C@@H]1[C@@H](C[C@@H]([C@@H]([C@@H](OC)[C@@H](CC(O[C@H](C)CC=CC=C1)=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H]([C@@H]([C@@](C1)(O)C)O)C)C)CC=O)C	1.1072099696478683	Lombardo	logCL
c1ccccc1CC[C@H](N[C@@H](C(N1[C@@H](CC2(C1)SCCS2)C(=O)O)=O)C)C(=O)OCC	1.0755469613925308	Lombardo	logCL
N[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC	1.760422483423212	Lombardo	logCL
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(=O)(=O)O	0.07918124604762482	Lombardo	logCL
N(CCN(CC)CC)C(C(=C(C1CNC=O)S2)C(=O)C(C2=CC=C2OC)=C2)=CC=1	0.4913616938342727	Lombardo	logCL
"c1cn(c(n1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)O
"	0.47712125471966244	Lombardo	logCL
CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O	0.9138138523837167	Lombardo	logCL
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O	-0.10790539730951958	Lombardo	logCL
"N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(C(C)C))C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N
"	1.1522883443830565	Lombardo	logCL
CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2	1.1760912590556813	Lombardo	logCL
C(SCCC(=O)O)[C@@H]1[C@H]2O[C@H]3O[C@H](CSCCC(=O)O)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CSCCC(=O)O)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@H](CSCCC(=O)O)[C@H]([C@@H]([C@H]3O)O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6OC([C@@H](O[C@@H](O1)[C@@H]([C@H]2O)O)[C@H](O)[C@H]6O)CSCCC(=O)O)[C@H](O)[C@H]5O)CSCCC(=O)O)[C@H](O)[C@H]4O)CSCCC(=O)O)[C@@H]([C@H]3O)O)CSCCC(=O)O	0.10720996964786837	Lombardo	logCL
CC1(C)C(N2C(CC2=O)S1(=O)=O)C(=O)O	0.7075701760979364	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)O)C(=O)N2[C@H]1C(=O)O	0.2041199826559248	Lombardo	logCL
Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2	-0.2596373105057561	Lombardo	logCL
Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1	-0.44369749923271273	Lombardo	logCL
c1(S(Nc2ccccn2)(=O)=O)ccc(\N=N\c2cc(c(O)cc2)C(O)=O)cc1	-0.585026652029182	Lombardo	logCL
O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4	-0.46852108295774486	Lombardo	logCL
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C	-0.5228787452803376	Lombardo	logCL
[H]n1c2cccnc2nc1c1ccc(cc1OC)S(C)=O	1.0	Lombardo	logCL
c1(c(ccc(c1)S(=O)(=O)N)OC)C(NC[C@@H]1[N@@](CCC1)CC)=O	0.2787536009528289	Lombardo	logCL
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1	1.2787536009528289	Lombardo	logCL
CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2	-0.11918640771920865	Lombardo	logCL
Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	-2.2441251443275085	Lombardo	logCL
[H]N(c1c(C)cccn1)S(c1ccc(C#Cc2ccc(c(c2)C(=O)O[H])O[H])cc1)(=O)=O	-1.154901959985743	Lombardo	logCL
Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5	-0.07572071393811836	Lombardo	logCL
Nc1c2CCCCc2nc3ccccc13	1.7481880270062005	Lombardo	logCL
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC	-0.1549019599857432	Lombardo	logCL
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1	0.6901960800285137	Lombardo	logCL
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(OC)c(c2)S(=O)(=O)N	-0.20760831050174613	Lombardo	logCL
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O	1.00774777800074	Lombardo	logCL
OC(C(O)CC1=CC(O)=C(O)C=C1)=O	1.249198357391113	Lombardo	logCL
c1cc(cc(c1)[C@@H]([C@@H](C)CN(C)C)CC)O	1.3289908554494287	Lombardo	logCL
n1cc(cc2ccccc12)C(=O)Nc1c(cc(c(c1)OC)OC)C(=O)Nc1ccc(cc1)CC[N@@]1Cc2cc(c(cc2CC1)OC)OC	0.4471580313422192	Lombardo	logCL
[C@H]1(n2c(=O)nc(cc2)N)O[C@@H]([C@]([C@H]1O)(O)C#C)CO	0.2041199826559248	Lombardo	logCL
Cl.O=C(N1[C@@H](CCC1)C(=O)NC(C)(C)C)[C@H]1N(CCC1)C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C)C(C)C	0.9822712330395684	Lombardo	logCL
CCC(=O)NC[C@@H]1C[C@H]1c2cccc3c2CCO3	0.9561684304753633	Lombardo	logCL
c12c(cc(C#Cc3ccc(C(OCC)=O)cn3)cc1)C(CCS2)(C)C	1.5705429398818975	Lombardo	logCL
S1([C@@]([C@@H](N2C(=O)C[C@@H]12)C(O)=O)(Cn1ccnn1)C)(=O)=O	0.6821450763738317	Lombardo	logCL
[H]C#CCCCC(c1cc(c(c(c1)C(C)(C)C)O[H])C(C)(C)C)=O	0.9493900066449128	Lombardo	logCL
Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	0.07554696139253074	Lombardo	logCL
c1c(c(=O)[nH]c(=O)n1C2CCCO2)F	-0.022276394711152253	Lombardo	logCL
CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12	1.255272505103306	Lombardo	logCL
C(C(=O)N[C@H]1[C@H](Oc2c3cc4[C@H](C(N[C@@H]5c6cc(c7c([C@@H](NC([C@H]([C@@H](c8cc(c(O3)cc8)Cl)O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)NC5=O)=O)C(=O)O)cc(O)cc7O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)c(cc6)O)=O)NC([C@@H]3c5cc(Oc6cc(ccc6O)[C@@H](C(N[C@@H](C(N3)=O)Cc3cc(c(Oc2c4)cc3)Cl)=O)N)cc(c5)O)=O)O[C@@H]([C@H](O)[C@@H]1O)CO)C\C=C/CCCCC	-0.494850021680094	Lombardo	logCL
C(C)(CCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4[C@H](C(N[C@@H]5c6cc(c7c([C@@H](NC([C@H]([C@@H](c8cc(c(O3)cc8)Cl)O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)NC5=O)=O)C(=O)O)cc(O)cc7O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)c(cc6)O)=O)NC([C@@H]3c5cc(Oc6cc(ccc6O)[C@@H](C(N[C@@H](C(N3)=O)Cc3cc(c(Oc2c4)cc3)Cl)=O)N)cc(c5)O)=O)O[C@@H]([C@H](O)[C@@H]1O)CO)C	-0.6020599913279624	Lombardo	logCL
C(CC)CCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4[C@H](C(N[C@@H]5c6cc(c7c([C@@H](NC([C@H]([C@@H](c8cc(c(O3)cc8)Cl)O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)NC5=O)=O)C(=O)O)cc(O)cc7O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)c(cc6)O)=O)NC([C@@H]3c5cc(Oc6cc(ccc6O)[C@@H](C(N[C@@H](C(N3)=O)Cc3cc(c(Oc2c4)cc3)Cl)=O)N)cc(c5)O)=O)O[C@@H]([C@H](O)[C@@H]1O)CO	-0.744727494896694	Lombardo	logCL
C([C@@H](CC)C)CCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4[C@H](C(N[C@@H]5c6cc(c7c([C@@H](NC([C@H]([C@@H](c8cc(c(O3)cc8)Cl)O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)NC5=O)=O)C(=O)O)cc(O)cc7O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)c(cc6)O)=O)NC([C@@H]3c5cc(Oc6cc(ccc6O)[C@@H](C(N[C@@H](C(N3)=O)Cc3cc(c(Oc2c4)cc3)Cl)=O)N)cc(c5)O)=O)O[C@@H]([C@H](O)[C@@H]1O)CO	-0.8239087409443188	Lombardo	logCL
C(C(C)C)CCCCCCC(=O)N[C@H]1[C@H](Oc2c3cc4[C@H](C(N[C@@H]5c6cc(c7c([C@@H](NC([C@H]([C@@H](c8cc(c(O3)cc8)Cl)O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)NC5=O)=O)C(=O)O)cc(O)cc7O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)c(cc6)O)=O)NC([C@@H]3c5cc(Oc6cc(ccc6O)[C@@H](C(N[C@@H](C(N3)=O)Cc3cc(c(Oc2c4)cc3)Cl)=O)N)cc(c5)O)=O)O[C@@H]([C@H](O)[C@@H]1O)CO	-1.0457574905606752	Lombardo	logCL
CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3c4Oc5ccc(cc5Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]6C(=O)N[C@H]7C(=O)N[C@@H]([C@H](O)c8ccc(Oc3cc6c4)c(Cl)c8)C(=O)N[C@H](C(=O)O)c9cc(O)c(CNCP(=O)(O)O)c(O)c9c%10cc7ccc%10O)O[C@@H](C)[C@H]1O	-0.6989700043360187	Lombardo	logCL
O=c1n(c2c([nH]1)nccc2)C1CCN(CC1)C(=O)N[C@H]1C(=O)N(CC(F)(F)F)C[C@@H](CC1)c1c(F)c(F)ccc1	0.7634279935629372	Lombardo	logCL
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCn4cnc(c4)c5cccnc5)C(=O)O[C@]13C)OC	1.146128035678238	Lombardo	logCL
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C	0.9242792860618817	Lombardo	logCL
N12[C@H](C(S[C@@H]2[C@](C1=O)(OC)NC(=O)[C@@H](c1cscc1)C(=O)O)(C)C)C(=O)O	-0.46852108295774486	Lombardo	logCL
c1(c2[nH]c(c(c3nc(c(c4cc(ccc4)O)c4[nH]c(c(c5nc1CC5)c1cc(ccc1)O)cc4)C=C3)c1cc(ccc1)O)cc2)c1cc(ccc1)O	-1.2218487496163564	Lombardo	logCL
CN1N=Nc2c(ncn2C1=O)C(=O)N	0.5563025007672873	Lombardo	logCL
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO	0.8864907251724818	Lombardo	logCL
c1cc(sc1)/C(=C/2\c3cc(ccc3N(C2=O)C(=O)N)Cl)/O	-1.2365720064370627	Lombardo	logCL
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)CCC(=O)Oc6c(c(c7c(c6C)CC[C@@](O7)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C	-0.09151498112135022	Lombardo	logCL
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27	-0.721246399047171	Lombardo	logCL
C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)O	0.4913616938342727	Lombardo	logCL
CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3	-1.5228787452803376	Lombardo	logCL
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4	0.04139268515822508	Lombardo	logCL
CC(C)(C)NCC(O)c1cc(O)cc(O)c1	0.5314789170422551	Lombardo	logCL
c1c(ccc(c1)C(F)(F)F)NC(=O)/C(=C(/C)O)C#N	-2.154901959985743	Lombardo	logCL
c12c(C[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](Cc3c[nH]cn3)NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](Cc3c[nH]cn3)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](CO)N)=O)C(C)C)=O)CO)=O)CCC(O)=O)=O)[C@@H](CC)C)=O)CCC(N)=O)=O)CC(C)C)=O)CCSC)=O)=O)CC(N)=O)=O)CC(C)C)=O)=O)CCCCN)=O)=O)CC(C)C)=O)CC(N)=O)=O)CO)=O)CCSC)=O)CCC(O)=O)=O)CCCNC(N)=N)=O)C(C)C)=O)CCC(O)=O)=O)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](Cc3c[nH]cn3)C(N[C@@H](C(N[C@@H](Cc3ccccc3)C(O)=O)=O)CC(N)=O)=O)=O)C(C)C)=O)CC(O)=O)=O)CCC(N)=O)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)CCCNC(N)=N)=O)CC(C)C)=O)c[nH]c1cccc2	1.3304137733491908	Lombardo	logCL
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N	0.9138138523837167	Lombardo	logCL
CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C	0.04139268515822508	Lombardo	logCL
CCO[C@@H](Cc1ccc(OCCc2ccc(OS(=O)(=O)C)cc2)cc1)C(=O)O	-1.408935392973501	Lombardo	logCL
[C@@H]12[C@@H]([C@@]3(C(=CC(=O)CC3)CC2)C)CC[C@]2([C@H]1CC[C@@H]2O)C	1.3891660843645324	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O	0.17609125905568124	Lombardo	logCL
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1	0.505149978319906	Lombardo	logCL
CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O)(C)C)O	0.07918124604762482	Lombardo	logCL
COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cn3)C(C)C)nc(nc2OCCO)c4ccnc(c4)c5nnn[nH]5	0.9084850188786497	Lombardo	logCL
C(OP(=O)(NCCBr)NCCBr)c1n(C)c(nc1)N(=O)=O	1.1702617153949575	Lombardo	logCL
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1	0.5314789170422551	Lombardo	logCL
CN1C(=O)N(C)c2[nH]cnc2C1=O	-0.06550154875643228	Lombardo	logCL
C(CN)(=O)OC[C@H]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl	0.9822712330395684	Lombardo	logCL
n1c2c(nc[nH]2)c([nH]c1N)=S	1.187520720836463	Lombardo	logCL
CN(C)CCN(Cc1cccs1)c2ccccn2	1.4471580313422192	Lombardo	logCL
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O	0.9138138523837167	Lombardo	logCL
S=P(N1CC1)(N2CC2)N3CC3	0.8260748027008264	Lombardo	logCL
Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C	0.2041199826559248	Lombardo	logCL
c1(cc2c(cc1)[C@@H](c1c(cccc1)N(S2(=O)=O)C)NCCCCCCC(O)=O)Cl	0.4471580313422192	Lombardo	logCL
c1(c(ccc(c1)S(C)(=O)=O)OC)C(NCCN(CC)CC)=O	0.6720978579357175	Lombardo	logCL
O=C(c1ccccc1)c1sc(cc1)[C@@H](C(=O)O)C	-0.20760831050174613	Lombardo	logCL
NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O	0.38021124171160603	Lombardo	logCL
Sc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)c4n1	0.5289167002776547	Lombardo	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O	0.25527250510330607	Lombardo	logCL
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C	0.5797835966168101	Lombardo	logCL
CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2	1.2041199826559248	Lombardo	logCL
c1cc(ccc1Cl)SC(P(O)(O)=O)P(O)(O)=O	-0.3979400086720376	Lombardo	logCL
CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2	0.9294189257142927	Lombardo	logCL
CCS(=O)(=O)CCn1c(C)ncc1N(=O)=O	-0.2218487496163564	Lombardo	logCL
C[C@@H](C(NCC(O)=O)=O)S	0.17026171539495738	Lombardo	logCL
O(C(=O)C(c1sccc1)(O)c1cccs1)C1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N+]2(C)C	1.100370545117563	Lombardo	logCL
Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(cc(=O)n4C)c5cccc(c5)Cl)N	0.7015679850559274	Lombardo	logCL
Nc1n[n+]([O-])c2ccccc2[n+]1[O-]	0.9493900066449128	Lombardo	logCL
C1(C=C[C@@]2(C3=CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CCC2=C1)C)C(CN1CCN(CC1)c1nc(nc(c1)N1CCCC1)N1CCCC1)=O)C)C)=O	0.8450980400142568	Lombardo	logCL
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O	0.47712125471966244	Lombardo	logCL
Clc1ccc2nsnc2c1NC3=NCCN3	1.0413926851582251	Lombardo	logCL
c1ccc(cc1)[C@H](C(=O)O)NC(=O)[C@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)NC(=O)CC[C@@H](C(=O)O)N	1.4548448600085102	Lombardo	logCL
c1c(OC[C@@H](CNCc2cc(c(OC)cc2)OC)O)cc2c(c1)[nH]c(cc2)=O	0.9493900066449128	Lombardo	logCL
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O	0.2041199826559248	Lombardo	logCL
CC(N)C(=O)Nc1c(C)cccc1C	0.3424226808222063	Lombardo	logCL
[C@@H]1([C@H](CN(CC1)C(=O)CC#N)N(c1ncnc2[nH]ccc12)C)C	0.7693773260761385	Lombardo	logCL
CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3	0.3159703454569177	Lombardo	logCL
Cc1ccccc1OCC(O)CNCCOc2ccc(cc2)C(=O)N	1.146128035678238	Lombardo	logCL
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	-0.6777807052660807	Lombardo	logCL
Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)N(=O)=O	0.2787536009528289	Lombardo	logCL
c1ccc(c(c1Nc1ccccc1C(=O)O)C)Cl	0.37474834601010387	Lombardo	logCL
Cc1cccc(c1)N2CC(CO)OC2=O	1.0413926851582251	Lombardo	logCL
CC(C)N(CC[C@H](c1ccccc1)c2cc(C)ccc2O)C(C)C	0.9242792860618817	Lombardo	logCL
c1cc(c(cc1)C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3c2ccc(c3)Cl)O)c(c1)C	0.38021124171160603	Lombardo	logCL
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@H]3C[C@H](N(C)C3)C(=O)N4CC[C@@H](C4)NC(=O)CNC(=N)N	0.2787536009528289	Lombardo	logCL
C12(CCC(CC1)(CC2)c1[nH]c2c(n(c(n(c2n1)CCC)=O)CCC)=O)CCC(=O)O	0.03342375548694973	Lombardo	logCL
[C@]12([C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)OC(O1)(C)C)COS(=O)(=O)N	-0.5686362358410126	Lombardo	logCL
CN(C)CCNc1ccc2c3c(nn2CCNCCO)c4cnccc4C(=O)c13	1.4313637641589874	Lombardo	logCL
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O	1.1139433523068367	Lombardo	logCL
CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2	-0.27572413039921095	Lombardo	logCL
[n+]1(ccc(\C=N\O)cc1)COC[n+]1ccc(\C=N\O)cc1.[ClH-].[ClH-]	0.2787536009528289	Lombardo	logCL
c1(cc(nc(n1)Sc1ccc(cc1)NC(=O)C1CC1)N1CCN(CC1)C)Nc1n[nH]c(c1)C	1.2648178230095364	Lombardo	logCL
COc1cc2c(CCN[C@]23CS[C@H]4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O	1.0791812460476249	Lombardo	logCL
COc1cccc(c1)[C@@]2(O)CCCC[C@@H]2CN(C)C	0.8129133566428556	Lombardo	logCL
CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	-0.09691001300805639	Lombardo	logCL
C1CC[C@@H]2C[C@H](N([C@@H]2C1)C([C@H](C)N[C@@H](CCc1ccccc1)C(OCC)=O)=O)C(=O)O	1.0969100130080565	Lombardo	logCL
NC[C@@H]1CC[C@H](CC1)C(=O)O	0.38021124171160603	Lombardo	logCL
C[C@@H]([C@@H](O)c1ccc(O)cc1)N2CCC(O)(CC2)c3ccccc3	1.4313637641589874	Lombardo	logCL
Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2	0.146128035678238	Lombardo	logCL
S(=O)(=O)(OC[C@@H]([C@H](COS(=O)(=O)C)O)O)C	0.6901960800285137	Lombardo	logCL
[H]OC(COc1cccc2C[C@H]3[C@H](CC[C@@H](CCCCC)O[H])[C@H](C[C@H]3Cc12)O[H])=O	1.0293837776852097	Lombardo	logCL
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO	0.9731278535996987	Lombardo	logCL
Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3	1.7993405494535817	Lombardo	logCL
c1ccc(c(\C=N\NC(N)=S)n1)N	0.42324587393680785	Lombardo	logCL
Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12	0.47712125471966244	Lombardo	logCL
COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O	-0.017728766960431602	Lombardo	logCL
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC	0.3222192947339193	Lombardo	logCL
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC	-0.11350927482751812	Lombardo	logCL
CC(CN(C)C)CN1c2ccccc2CCc3ccccc13	1.2041199826559248	Lombardo	logCL
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@@H]7CCC(=O)N7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)NCC(=O)N	0.42651126136457523	Lombardo	logCL
CN1C2CCC1CC(=C3c4ccccc4CSc5c3cccc5)C2	0.6972293427597176	Lombardo	logCL
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c3c[nH]c4ccccc34	1.414973347970818	Lombardo	logCL
CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O1	0.2304489213782739	Lombardo	logCL
c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@@H]3C[C@@H]4CCC(C3)[N+]45CCCC5)O	1.1430148002540952	Lombardo	logCL
N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F	0.146128035678238	Lombardo	logCL
NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO)O2	0.38021124171160603	Lombardo	logCL
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4	0.5314789170422551	Lombardo	logCL
[H]N1CCCc2ccccc2O[C@H](C)CN([H])[C@@H](C2CC2)C(N(C)[C@H](C)C(N([H])[C@H](Cc2ccc(cc2)F)C1=O)=O)=O	-1.0	Lombardo	logCL
CS(=O)(=O)N(CCO)c1c(Cl)c(Cl)cc2NC(=O)C(=O)Nc12	0.7781512503836436	Lombardo	logCL
c1ccc(cc1)COCC[N+]23CCC(CC2)(CC3)C(c4ccccc4)(c5ccccc5)O	1.5556988947189014	Lombardo	logCL
COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2	0.4913616938342727	Lombardo	logCL
C1[C@@]2([C@@H]3[C@@](CC[C@H]2C(C)([C@H](C1)O)C)([C@@]1(C(=CC3)[C@H]2[C@@](CC1)(CC[C@H]([C@@H]2C)C)C(O)=O)C)C)C	0.5877109650189114	Lombardo	logCL
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O	0.46834733041215726	Lombardo	logCL
CC(C)C[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC	0.23299611039215382	Lombardo	logCL
o1nc(c(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccccc1	0.146128035678238	Lombardo	logCL
CCCC(CCC)C(=O)O	-0.7958800173440752	Lombardo	logCL
CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)[C@@H](C(C)C)C(=O)O	-0.3098039199714863	Lombardo	logCL
C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C	0.414973347970818	Lombardo	logCL
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2	0.11394335230683679	Lombardo	logCL
CCCc1nc(C)c2C(=O)NC(=Nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4	1.1139433523068367	Lombardo	logCL
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([C@@H]4OC(=O)C)[N+]5(C)CCCCC5)[C@@]2(C)C[C@@H]1N6CCCCC6	0.6532125137753437	Lombardo	logCL
C[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C	0.22271647114758325	Lombardo	logCL
COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2	1.146128035678238	Lombardo	logCL
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC	1.255272505103306	Lombardo	logCL
CN(C)C(=O)CCS[C@H](SCCC(=O)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1	-0.16749108729376366	Lombardo	logCL
c1(c(cc(cc1)CCO[C@H]1[C@@H](CCCC1)N1C[C@@H](CC1)O)OC)OC	0.9185545305502735	Lombardo	logCL
C=1(CCC(OC)=O)c2cc3c(c(c(cc4nc(cc5C=6[C@@]([C@@H](C(=CC6)C(OC)=O)C(=O)OC)(c([nH]5)cc(n2)C1C)C)C(C)=C4C=C)[nH]3)C)CCC(O)=O	0.2041199826559248	Lombardo	logCL
OC(=O)CCC(=C(C)C1C2)C(N=1)=CC(=C(CCC(OC)=O)C(C)=C1C=C(N3)C(=C(C=3C=C3C([C@@](C=2N3)(C)[C@H](C(=O)OC)C(=C2)C(=O)OC)=C2)C)C=C)N1	0.2380461031287954	Lombardo	logCL
Cc1cc(ccc1[C@H]2CNCCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)F	0.7067177823367587	Lombardo	logCL
c1cc(c(c(c1)Cl)COCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O)Cl	1.4099331233312946	Lombardo	logCL
"C1CN(CCN1CCCCc1c[nH]c2c1cc(cc2)C#N)c1cc2c(cc1)oc(c2)C(=O)N	"	0.5751878449276611	Lombardo	logCL
[H]N(CC(N1CCC[C@@H]1C#N)=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)O[H]	0.9956351945975499	Lombardo	logCL
CCOc1ccccc1OCC2CNCCO2	0.3222192947339193	Lombardo	logCL
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1	0.4913616938342727	Lombardo	logCL
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1	0.3010299956639812	Lombardo	logCL
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)N)C1	0.3424226808222063	Lombardo	logCL
CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC	1.3010299956639813	Lombardo	logCL
[C@@H]12c3n4c5c(c3CCN2CCC[C@]1(C=C4C(=O)OCC)CC)cccc5	0.785329835010767	Lombardo	logCL
c12c(ccc(c2)OC)nccc1CCC[C@@H]1[C@@H](CNCC1)C=C	1.414973347970818	Lombardo	logCL
n1ccccc1c1c(ccc(c1)NC(=O)c1c(cc(cc1)S(=O)(=O)C)Cl)Cl	-2.0	Lombardo	logCL
C(=O)(c1cc(c(cc1)Nc1nc2c(cn1)N(C(=O)[C@H](N2C(C)C)CC)C)OC)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)CC1CC1	1.0644579892269184	Lombardo	logCL
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5	-0.46852108295774486	Lombardo	logCL
C[C@@H](c1ncncc1F)[C@](O)(Cn2cncn2)c3ccc(F)cc3F	0.919078092376074	Lombardo	logCL
ONC(=O)CCCCCCC(=O)Nc1ccccc1	1.4471580313422192	Lombardo	logCL
CC1=CC=C(SC2=C(C=CC=C2)N2CCNCC2)C(C)=C1	0.7634279935629372	Lombardo	logCL
CN[C@H]1CN(C[C@@H]1OC)c2ccc3c(=O)c(cn(c3n2)c4nccs4)C(=O)O	-0.10237290870955855	Lombardo	logCL
CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3	-1.2596373105057561	Lombardo	logCL
C[C@H]1CCc2c3n1cc(c(=O)c3cc(c2N4CCC(CC4)O)F)C(=O)O	-0.26760624017703144	Lombardo	logCL
OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2	0.47712125471966244	Lombardo	logCL
C[C@@H]([C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCC[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc5ccccc5)NC(=O)[C@H]6CCCN6C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC(=O)O)N)O	0.5587085705331657	Lombardo	logCL
CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3ccc(cc3n2)Cl	-1.3010299956639813	Lombardo	logCL
CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2	1.2124539610402758	Lombardo	logCL
O[C@@H]1[C@H]([C@H](OC[C@H]1O)O)O	0.37657695705651195	Lombardo	logCL
Cc1ccc(cc1C(c2c(cc(cc2C)C(=O)O)C)O)n3ccnc3	0.4638929889859073	Lombardo	logCL
Cn1cc(c2c1cccc2)C(=O)[C@@H]3CCc4c(nc[nH]4)C3	0.846955325019824	Lombardo	logCL
c1(n(c2c(C(=O)c3ccccc3C2=O)[n+]1Cc1cnccn1)CCOC)C	1.0530784434834197	Lombardo	logCL
c12[C@H]3[N@@](C[C@@H]4CC[C@@H]([C@@H]([C@@H]4C3)C(OC)=O)O)CCc1c1ccccc1[nH]2	1.1643528557844371	Lombardo	logCL
NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO)O2	0.7481880270062004	Lombardo	logCL
CCN(C(=O)C)c1cccc(c1)c2ccnc3c(cnn23)C#N	1.2041199826559248	Lombardo	logCL
FC(F)(F)c1cccc(c1)/C=C/C(=O)NC[C@H]2c7c(C[C@@H]5N2[C@@H](O)[C@@H]4Cc3cc(C)c(OC)c(O)c3[C@H]5N4C)c(OC(C)=O)c(C)c6OCOc67	1.0791812460476249	Lombardo	logCL
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O	0.2041199826559248	Lombardo	logCL
CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)CCc3ccc(c(c3)OC)OC	0.9242792860618817	Lombardo	logCL
n1c(=O)c2cc(CN(c3ccc(C(=O)N[C@@H](CCc4nnn[nH]4)C(=O)O)c(c3)F)CC#C)c(C)cc2[nH]c1C	-0.5376020021010439	Lombardo	logCL
S1SC[C@@H]2NC([C@@H](CCCCN)NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](CSSC[C@@H]3NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC2=O)CO)=O)CCCNC(=N)N)=O)CC(C)C)=O)CCSC)=O)Cc2ccc(cc2)O)CC(O)=O)CSSC[C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](C1)NC([C@@H](NC(CNC(=O)[C@@H]([C@@H](C)O)NC3=O)=O)CO)=O)=O)CCCNC(=N)N)=O)CO)=O)=O)CCCCN)=O)C(=O)N)=O)N)=O)CCCCN)=O)=O)CCCCN)=O)=O)C)=O)=O	0.6074550232146685	Lombardo	logCL
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O	1.3979400086720377	Lombardo	logCL
C(\c1ccc(Br)cc1)(c1cccnc1)=C\CN(C)C	1.1398790864012365	Lombardo	logCL
Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45	0.7075701760979364	Lombardo	logCL
[H]Oc1cc(C)c(C(=O)O[C@H]2CO[C@]3(C4[C@H]2OCO4)O[C@@H]2CO[C@@H]([C@@H]([C@H]2O3)O[H])O[C@@H]2[C@H]([C@@H]([C@H]([C@H](COC)O2)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](C)O2)OC)O[C@@H]2[C@@H]([C@]3(C)[C@H]([C@@H](C)O2)O[C@]2(C[C@H]([C@@H]([C@@H](C)O2)O[C@@H]2C[C@@H]([C@H]([C@H](C)O2)OC(c2c(C)c(c(c(c2OC)[Cl])O[H])[Cl])=O)O[C@H]2C[C@](C)([C@H]([C@@H](C)O2)OC)[N+]([O-])=O)O[H])O3)O[H])O[H])O[H])OC)c(c1)O[H]	-0.21467016498923297	Lombardo	logCL
OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O	0.3424226808222063	Lombardo	logCL
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12	0.8260748027008264	Lombardo	logCL
CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3	0.6334684555795865	Lombardo	logCL
OC(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)n3ccnc3)N(=O)=O	0.724275869600789	Lombardo	logCL
C(=O)(NC(=N)N)c1c(n(nc1)c1c2c(ccc1)nccc2)C1CC1	1.3222192947339193	Lombardo	logCL
CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4	0.5185139398778874	Lombardo	logCL
COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@H](CO)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](Cc9cnc[nH]9)NC(=O)[C@@H]%10CCC(=O)N%10)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N%11CCC[C@H]%11C(=O)NCC(=O)N	1.3424226808222062	Lombardo	logCL
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@@H]1n5cnnn5	-0.17392519729917355	Lombardo	logCL
CN(C)C[C@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1	1.016824493667488	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1	1.0546130545568877	Astrazeneca	logCL
CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1	1.0754575386171255	Astrazeneca	logCL
CCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1	1.0893751608160998	Astrazeneca	logCL
c1cn(-c2ccc(Oc3nccc(Oc4ccc5c(c4)OCO5)n3)cc2)cn1	1.0893751608160998	Astrazeneca	logCL
CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	1.0893751608160998	Astrazeneca	logCL
Cc1ccc(F)c(Nc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1	1.230704313612569	Astrazeneca	logCL
CCCCCSc1nc(O)c2sc(N)nc2n1	1.230704313612569	Astrazeneca	logCL
CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1	1.2355031964943377	Astrazeneca	logCL
Cc1ccc2c(n1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O	0.6744018128452817	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)N2CCN(S(C)(=O)=O)CC2)CC1	0.850493071900963	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1	0.8785217955012065	Astrazeneca	logCL
N#C[C@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@H]1c1ccccc1	1.5882156652289985	Astrazeneca	logCL
CCc1cccc2c1N(C)Cc1cc3c(cc1-2)OCO3	1.6254477609811016	Astrazeneca	logCL
CC(C)(CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc(O)sc12	1.6626931547527695	Astrazeneca	logCL
c1ccc(Sc2ccc3ccccc3n2)cc1	1.76076164352003	Astrazeneca	logCL
CC(C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCC(F)(F)CC1	1.5882156652289985	Astrazeneca	logCL
c1ccc([C@H]([C@@H](c2ccccc2)N2CCCCC2)N2CCCCC2)cc1	1.1153108949104995	Astrazeneca	logCL
O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12	2.02075478729592	Astrazeneca	logCL
CC(=O)c1cc2ccc(O)cc2oc1=O	1.4253727972826005	Astrazeneca	logCL
CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1	1.4753936741054532	Astrazeneca	logCL
CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1	0.5753148805829508	Astrazeneca	logCL
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1	1.0553362761759837	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1	1.0893751608160998	Astrazeneca	logCL
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21	0.7350996531988935	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C1CC1	0.9296743179485878	Astrazeneca	logCL
C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1	1.045469675117018	Astrazeneca	logCL
COCCN(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1	1.8554446468760346	Astrazeneca	logCL
CC(C)CNc1nc(N2CCN(CC3CCCOC3)CC2)ncc1C(=O)NCc1ccccc1	1.9554351800930092	Astrazeneca	logCL
COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1	2.0546130545568877	Astrazeneca	logCL
CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1	2.1246509211646427	Astrazeneca	logCL
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl	1.7982534538123676	Astrazeneca	logCL
Cc1ccc2c(N)c(C(N)=O)sc2n1	1.0893751608160998	Astrazeneca	logCL
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nccs3)CC2)CC1	0.8155379029660207	Astrazeneca	logCL
CC1(C)[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1OS(=O)(=O)O	0.8752523109363592	Astrazeneca	logCL
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl	0.45255306322892536	Astrazeneca	logCL
C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O	1.1255739703578216	Astrazeneca	logCL
COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1	1.27537470853203	Astrazeneca	logCL
Cc1sc2ncnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C	1.865405446913259	Astrazeneca	logCL
CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	0.9754318085092629	Astrazeneca	logCL
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	1.6154160565508515	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12	1.6566730458848502	Astrazeneca	logCL
CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21	1.8266901572283383	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3F)CCC1CC2)(c1ccccc1)N1CCCCC1	1.9199144806594315	Astrazeneca	logCL
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	1.9554351800930092	Astrazeneca	logCL
CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1	0.6744018128452817	Astrazeneca	logCL
CCN(C(=O)NCc1c(F)cccc1F)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	0.7535830588929066	Astrazeneca	logCL
N#Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1	0.7535830588929066	Astrazeneca	logCL
N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)[nH]c1=O	0.7535830588929066	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4C)CC3)CC2)cc1	0.7535830588929066	Astrazeneca	logCL
CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3CCS(=O)(=O)C3)c(Cc3ccccc3C(F)(F)F)sc21	0.7535830588929066	Astrazeneca	logCL
COc1ccc2nc(C)cc(N3CC(CNC(=O)C4CC4)OC3=O)c2c1	0.9253095125461377	Astrazeneca	logCL
CS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1	0.9754318085092629	Astrazeneca	logCL
O=C(Nc1cccc(CCO)c1)c1cc2cc(Cl)ccc2[nH]1	0.9754318085092629	Astrazeneca	logCL
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOCC1	1.0754575386171255	Astrazeneca	logCL
CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1	1.016824493667488	Astrazeneca	logCL
Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1Cc1nnn[nH]1	1.016824493667488	Astrazeneca	logCL
CCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2o1	0.7535830588929066	Astrazeneca	logCL
O=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.7535830588929066	Astrazeneca	logCL
Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	0.6744018128452817	Astrazeneca	logCL
O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1	0.6744018128452817	Astrazeneca	logCL
Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C#N)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	0.6744018128452817	Astrazeneca	logCL
CCC(C)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.1705008049778531	Astrazeneca	logCL
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C#N	1.1795517911651876	Astrazeneca	logCL
CCOc1ccc2nc(N)sc2c1	1.27537470853203	Astrazeneca	logCL
CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C	1.276461804173244	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3)c2s1	1.276461804173244	Astrazeneca	logCL
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCCC4)nn3c2)c1	0.6744018128452817	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12	0.7535830588929066	Astrazeneca	logCL
CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	0.7535830588929066	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12	0.7664202835980788	Astrazeneca	logCL
C[C@H]1CN=C(N)c2sccc2O1	0.8205298485235197	Astrazeneca	logCL
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1	1.4854403214494976	Astrazeneca	logCL
O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCCN(Cc1ccccc1)C3	1.4854403214494976	Astrazeneca	logCL
O=C(Nc1ncc(F)s1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1	1.4953909892613313	Astrazeneca	logCL
CN(CCNCCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1	1.5194998528595385	Astrazeneca	logCL
C(#Cc1n[nH]c2ccccc12)c1ccccc1	1.5194998528595385	Astrazeneca	logCL
COCCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	0.5664964155357621	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1	1.850493071900963	Astrazeneca	logCL
COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1	1.9954199681005482	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3C[C@H]2CN3)ccc1Cl	1.0893751608160998	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1	1.4147645023395254	Astrazeneca	logCL
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCCN(C)CCO	1.4153957444301677	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3ccnc4ccccc34)sc21	1.4525530632289254	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1	1.4667935023435357	Astrazeneca	logCL
OCC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12	1.638189640190837	Astrazeneca	logCL
COc1ccc(C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl	1.6787231866279242	Astrazeneca	logCL
CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl	1.6854645075750165	Astrazeneca	logCL
CC(C)CCOc1ccc(N)cc1	1.6854645075750165	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)cnn2-c2ccccc2)cc1	1.7535830588929064	Astrazeneca	logCL
Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1	1.7554609358466013	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.7949757440511316	Astrazeneca	logCL
O=C(O)c1cncc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)c1	1.7949757440511316	Astrazeneca	logCL
Cc1cc(CCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1	1.7954361153175808	Astrazeneca	logCL
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2	1.6830019846071993	Astrazeneca	logCL
CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Cl	1.1255739703578216	Astrazeneca	logCL
CC(=O)Nc1ccc(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)cc1	1.0546130545568877	Astrazeneca	logCL
c1ccc(Nc2[nH]nnc2-c2ccccc2)cc1	2.0509787699017936	Astrazeneca	logCL
COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	0.9296743179485878	Astrazeneca	logCL
N=C(N)c1cc2c(OCc3ccccc3)cccc2s1	1.016824493667488	Astrazeneca	logCL
O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	1.016824493667488	Astrazeneca	logCL
O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(Cl)cc1	1.016824493667488	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12	0.9296743179485878	Astrazeneca	logCL
COc1ccc(N(C(=O)c2occc2C)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1	2.075802353626826	Astrazeneca	logCL
O=S(=O)(Nc1nc(-c2ccccc2)nn1Cc1ccccc1)c1ccccc1	0.6744018128452817	Astrazeneca	logCL
COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O	0.850493071900963	Astrazeneca	logCL
O=C(O)COc1ccc(Cl)cc1CN1CCCN(S(=O)(=O)Cc2ccccc2)CC1	0.6744018128452817	Astrazeneca	logCL
O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(NCCCO)ccc12	1.3733718171813005	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccnc4ccccc34)sc21	1.5664964155357621	Astrazeneca	logCL
O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)cc1	1.5774917998372253	Astrazeneca	logCL
CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	1.6089002640888495	Astrazeneca	logCL
Oc1nc2c(O)ccc(CCNCCOCCCOCCc3ccccc3)c2s1	1.7236198355154633	Astrazeneca	logCL
CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.746283820151407	Astrazeneca	logCL
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CCN2	1.7954361153175808	Astrazeneca	logCL
CN(C)CCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1	0.9296743179485878	Astrazeneca	logCL
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(C(N)=O)cc1Cl	0.7754611677533972	Astrazeneca	logCL
NC(=O)Nc1cc(-c2ccsc2)sc1C(N)=O	1.6286443222846065	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1	1.8205298485235197	Astrazeneca	logCL
CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	1.0546130545568877	Astrazeneca	logCL
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(S(C)(=O)=O)ccc34)CC2)c1Cl	1.0893751608160998	Astrazeneca	logCL
O=C(Nc1ccccn1)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc2c1	2.1397846642937	Astrazeneca	logCL
COc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1	1.844663528240239	Astrazeneca	logCL
CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)CCCc1ccc(OC)cc1	1.915449963516926	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCOCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.9840319802711806	Astrazeneca	logCL
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O	1.9954199681005482	Astrazeneca	logCL
O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cnccc5c4)cc3)CC2)CN1C1CC1	2.0354493510408633	Astrazeneca	logCL
C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1	2.086021518808512	Astrazeneca	logCL
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12	2.09544606058733	Astrazeneca	logCL
COc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3-c3ccccc3)c2)c1	2.1397846642937	Astrazeneca	logCL
O=C(Nc1ccc(CCO)cc1)c1cc2cc(Cl)ccc2[nH]1	1.005626593866014	Astrazeneca	logCL
N#Cc1c(-c2ccccc2)nc(SCCc2ccccc2)[nH]c1=O	1.6656278885377767	Astrazeneca	logCL
O=C(CCc1ccccc1O)Nc1ccccc1	1.4525530632289254	Astrazeneca	logCL
Cc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1	1.1754610750630332	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	1.1795517911651876	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)c(F)c2)CC1	1.230704313612569	Astrazeneca	logCL
CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F	1.9454530743376288	Astrazeneca	logCL
CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCCC4)c3)ncc2C#N)s1	1.9554351800930092	Astrazeneca	logCL
CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1	1.971067003106813	Astrazeneca	logCL
COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1	1.9924651478080433	Astrazeneca	logCL
CCN(C(=O)NCc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	1.996621107579201	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3c[nH]c4ccccc34)sc21	2.0048155861944728	Astrazeneca	logCL
O=C(O)COc1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.9048507342235557	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCC2)cc1	1.016824493667488	Astrazeneca	logCL
COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1	1.254185409462092	Astrazeneca	logCL
C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1	0.6955911119152198	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)c(C)nn2-c2ccccc2)cc1	0.7535830588929066	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12	1.121559844187501	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21	1.121559844187501	Astrazeneca	logCL
CNC(=O)c1cccc(NC(=O)Nc2cccc(C#N)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1	1.121559844187501	Astrazeneca	logCL
O=C(CCOCCc1ccccc1)NCCNCCc1ccc(O)c2nc(O)sc12	1.3733718171813005	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3ccccc3)CC2)CC1	1.395882667615331	Astrazeneca	logCL
CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1	1.4328595014557475	Astrazeneca	logCL
CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1	1.4554387514664135	Astrazeneca	logCL
O=C(NCc1ccccc1Cl)c1cccnc1Oc1ccccc1	1.53173430927655	Astrazeneca	logCL
CC(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12	1.9954199681005482	Astrazeneca	logCL
O=C(NC1CC1)c1cn(-c2cccc(C#Cc3cccnc3)c2)c2ncccc2c1=O	0.8205298485235197	Astrazeneca	logCL
Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1	1.395882667615331	Astrazeneca	logCL
CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1	1.206646456471864	Astrazeneca	logCL
O=C(c1ccccc1)N1CCN(Cc2ccccc2)CC1	1.276461804173244	Astrazeneca	logCL
N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl	1.3078702684248682	Astrazeneca	logCL
O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1	0.5317343092765502	Astrazeneca	logCL
O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1	0.5774917998372253	Astrazeneca	logCL
COc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O	0.5774917998372253	Astrazeneca	logCL
CCOC(=O)N1CCC(Nc2cc(OC)ccn2)CC1	0.5774917998372253	Astrazeneca	logCL
CC(NCC(O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	1.4597316478560487	Astrazeneca	logCL
CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.4667935023435357	Astrazeneca	logCL
CCN(C(C)=O)c1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O	1.4805817868291689	Astrazeneca	logCL
CN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12	1.5194998528595385	Astrazeneca	logCL
Cc1cccc(NC(=O)Nc2cccc3ccccc23)c1	1.825403720838113	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3cc4ccccc4s3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.8327643049405313	Astrazeneca	logCL
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)ccc2nc(CN3CCN(CCO)CC3)ccc12	1.8757989371657333	Astrazeneca	logCL
COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1OC	2.0254246654294055	Astrazeneca	logCL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Cl)cc2)[C@@H](O)[C@H]1O	1.3054395093820221	Astrazeneca	logCL
CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1	1.9254557150325893	Astrazeneca	logCL
COCCNCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1	0.45255306322892536	Astrazeneca	logCL
Nc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1	1.254185409462092	Astrazeneca	logCL
CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1	0.8785217955012065	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cnnc2ccccc12	0.8785217955012065	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)CC1	0.9048507342235557	Astrazeneca	logCL
O=C(NCc1ccccc1)c1ccc2cccnc2c1O	1.6656278885377767	Astrazeneca	logCL
Cc1nc2ccccn2c1-c1ccnc(N)n1	1.6754428708313753	Astrazeneca	logCL
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1	1.7253998920186657	Astrazeneca	logCL
O=C(O)c1cccnc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.5774917998372253	Astrazeneca	logCL
O=C(O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.8785217955012065	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccco2)nc2[nH]c(=O)sc12	0.893462145294143	Astrazeneca	logCL
Cc1cc(OCC(=O)Nc2ccccc2)c2cc(Br)ccc2n1	2.06544283251641	Astrazeneca	logCL
CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1	2.0754230420539472	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccc4ncsc4c3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.5552154051260731	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1	1.5552154051260731	Astrazeneca	logCL
N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(=O)(=O)C(F)(F)F)c2c1	1.581813173619868	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccccn3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.7949757440511316	Astrazeneca	logCL
CC(C(=O)O[C@@H]1CC[N+](C)(C)C1)(c1ccccc1)C1CCCC1	1.5986810989071634	Astrazeneca	logCL
O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2	1.5986810989071634	Astrazeneca	logCL
Nc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1	1.746283820151407	Astrazeneca	logCL
COc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1	1.7854625949151024	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(NCC2CCNCC2)c1Cl	1.8079407212154992	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12	0.5774917998372253	Astrazeneca	logCL
CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(C(F)(F)F)c1	0.5774917998372253	Astrazeneca	logCL
N=C(N)c1cc2c(I)cccc2s1	0.5774917998372253	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12	0.8855223541033311	Astrazeneca	logCL
Cc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C	1.121559844187501	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CC3CNCC(C2)O3)ccc1Cl	1.1515230675649442	Astrazeneca	logCL
Nc1nc(Nc2ccc(F)c(Cl)c2)c2nc[nH]c2n1	1.1515230675649442	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl	1.230704313612569	Astrazeneca	logCL
COc1ccc(C=NN=Cc2ccc(OC)c(OC)c2)cc1OC	1.254185409462092	Astrazeneca	logCL
COCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1	1.276461804173244	Astrazeneca	logCL
CCCc1cc(OCc2ccccc2)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	1.2854875462601545	Astrazeneca	logCL
CCCCC(CC)CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	1.355643050220869	Astrazeneca	logCL
O=C(NCC1CCCCCC1)c1cc(-c2cccnc2N2CCC(C(=O)O)CC2)ccc1Cl	1.355643050220869	Astrazeneca	logCL
NC(=O)NC(=O)C(Nc1ccc2c(c1)CCC2)c1ccccc1	1.4153957444301677	Astrazeneca	logCL
CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1	1.5053752101679323	Astrazeneca	logCL
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(C[C@H]3CCCN3)ccc12	1.1515230675649442	Astrazeneca	logCL
Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	1.1515230675649442	Astrazeneca	logCL
CCn1c(C)c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1	1.1555576836733168	Astrazeneca	logCL
Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O	1.276461804173244	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCC2)cc1	1.2976511032431821	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1	1.2426035369122768	Astrazeneca	logCL
CNS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	1.121559844187501	Astrazeneca	logCL
O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	1.422589839851482	Astrazeneca	logCL
CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)cc1	1.422589839851482	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1	1.4597316478560487	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3cccc4ccccc34)sc21	1.4939457483871503	Astrazeneca	logCL
Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	0.8452500164885911	Astrazeneca	logCL
Cc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)no1	1.1754610750630332	Astrazeneca	logCL
COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1	1.205880729887537	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1	1.3464996707809993	Astrazeneca	logCL
COc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1	0.5753148805829508	Astrazeneca	logCL
Cc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O	0.5774917998372253	Astrazeneca	logCL
CCN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	0.5774917998372253	Astrazeneca	logCL
CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1	0.5774917998372253	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC(C)C)sc12	1.5986810989071634	Astrazeneca	logCL
COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1	1.6139210654639002	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(Cc3nc(-c4ccccc4)no3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.699707678110052	Astrazeneca	logCL
CCCN1CCC(Oc2nccc(Nc3cc(NC(=O)c4cccc(N5CCOCC5)c4)ccc3C)n2)CC1	1.7078255683322314	Astrazeneca	logCL
O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1	1.7253998920186657	Astrazeneca	logCL
CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1	1.205880729887537	Astrazeneca	logCL
CCOc1ccc(-n2c([C@@H](C)N(CC3CCN(C)CC3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1	1.3054395093820221	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3cncnc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.8730588997997044	Astrazeneca	logCL
CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1	2.1121523756656697	Astrazeneca	logCL
Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	2.13541985889125	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl	1.4067955726682502	Astrazeneca	logCL
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	1.4573042188199263	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccncn3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.5436335325762578	Astrazeneca	logCL
COc1cccc2c(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)ccnc12	0.6744018128452817	Astrazeneca	logCL
COc1ccc(Cc2c(N)n[nH]c2N)cc1	0.7054060942088186	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12	0.6744018128452817	Astrazeneca	logCL
N=C(N)c1cc2c(-c3ccccc3)cccc2s1	0.6744018128452817	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOCC2)cc1	0.8205298485235197	Astrazeneca	logCL
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1	0.8205298485235197	Astrazeneca	logCL
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccccc1Cl	0.8205298485235197	Astrazeneca	logCL
Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1	1.645399178417767	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F	0.7535830588929066	Astrazeneca	logCL
COc1ccccc1C(=O)Nc1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1	0.8205298485235197	Astrazeneca	logCL
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl	0.7535830588929066	Astrazeneca	logCL
CN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1	0.7535830588929066	Astrazeneca	logCL
N#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)cc1	0.7754611677533972	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1	1.5986810989071634	Astrazeneca	logCL
CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1	1.422589839851482	Astrazeneca	logCL
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1	0.6744018128452817	Astrazeneca	logCL
Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12	1.1795517911651876	Astrazeneca	logCL
COCc1ccoc1C(=O)N(c1ccc(OC)cc1OC)C(C(=O)NC[C@@H](C)O)c1ccccc1F	1.8562454007900542	Astrazeneca	logCL
CN(C)CCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12	1.0254246654294055	Astrazeneca	logCL
Clc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1	0.9354266468376791	Astrazeneca	logCL
CCCS(=O)(=O)N1N=Cc2cc(Cl)ccc2B1O	0.965326372228036	Astrazeneca	logCL
O=C(NCCCCCCNCCc1ccc(O)c2nc(O)sc12)Nc1ccccc1	1.016824493667488	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl	1.838754668629719	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl	1.422589839851482	Astrazeneca	logCL
O=C(CC1CCCCCC1)Nc1cccc2c(=O)n([C@H]3CCNC3)ccc12	0.45255306322892536	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1	0.45255306322892536	Astrazeneca	logCL
C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCCC1	1.5194998528595385	Astrazeneca	logCL
Oc1nc2c(O)ccc(CCNCCCSCCOCCc3cccc4ccccc34)c2s1	1.53173430927655	Astrazeneca	logCL
CCCN(CCC)CCc1ccc(O)c(NC(C)=O)c1	1.53173430927655	Astrazeneca	logCL
Cc1ccc2c(c1)c(-c1ccnc3ccc(C(F)(F)F)cc13)c(C)n2CC(=O)O	1.3371596445268559	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCSCC2)cc1	1.3733718171813005	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCC(c5ccccc5)CC4)c3)c2s1	1.4067955726682502	Astrazeneca	logCL
Cn1cc(C2=C(c3cccc(NCC(O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21	1.437829806408219	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1	0.5774917998372253	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1	0.996621107579201	Astrazeneca	logCL
Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1	1.016824493667488	Astrazeneca	logCL
COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1	1.016824493667488	Astrazeneca	logCL
CCOc1ccc(Oc2ccc(S(=O)(=O)NC(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)cc2)cc1	1.0353736965712177	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12	1.0546130545568877	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	1.4147645023395254	Astrazeneca	logCL
COc1ccnc(CSc2nc3ccccc3[nH]2)c1	1.9099302597528307	Astrazeneca	logCL
COc1ccc(N(C(=O)c2occc2CO)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1	1.0546130545568877	Astrazeneca	logCL
CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1	1.0853476715330563	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ccc1Cl	1.016824493667488	Astrazeneca	logCL
O=C(O)CCCCCCc1ccc(Cc2ccc3ccccc3n2)cc1	0.7054060942088186	Astrazeneca	logCL
NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	1.5692714695905343	Astrazeneca	logCL
CCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1	1.8327643049405313	Astrazeneca	logCL
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@H]21)C(C)(C)C	1.9054123990247778	Astrazeneca	logCL
Cc1nn(-c2ccccc2)c(NS(=O)(=O)c2cccc(CN3CCOCC3)c2)c1C(=O)N[C@@H](C)C(C)(C)C	0.9296743179485878	Astrazeneca	logCL
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1	0.9296743179485878	Astrazeneca	logCL
O=C(O)COc1ccc(-c2nccs2)cc1-c1ccccc1	0.9296743179485878	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl	0.9754318085092629	Astrazeneca	logCL
COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1	1.0254246654294055	Astrazeneca	logCL
O=C(O)COc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1	1.0546130545568877	Astrazeneca	logCL
Cc1ccc2c(c1)c(Sc1cccc(Cl)c1)c(C)n2CC(=O)O	1.0546130545568877	Astrazeneca	logCL
COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1	1.3178544893314692	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc2nc(N3CCC[C@H](NCCc4nnn[nH]4)C3)ccc12	1.1515230675649442	Astrazeneca	logCL
Nc1nc(Nc2cccc(Br)c2)c2nc[nH]c2n1	1.1795517911651876	Astrazeneca	logCL
COc1cccc(C(=O)Nc2ccc(C)c(-n3cnc4ccc(N5CCN(C)CC5)cc4c3=O)c2)c1	1.1795517911651876	Astrazeneca	logCL
COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1	1.3654833049682502	Astrazeneca	logCL
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2ccccc2N1C	1.4653902879340976	Astrazeneca	logCL
NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	1.4667935023435357	Astrazeneca	logCL
Cc1ccc2c(c1)c([S+]([O-])c1ccc(Cl)cc1)c(C)n2CC(=O)O	0.45255306322892536	Astrazeneca	logCL
CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1	1.4067955726682502	Astrazeneca	logCL
O=C(O)c1cccc(-c2ccc3c(C(=O)NCC45CC6CC(CC(C6)C4)C5)c(Cl)ccc3n2)c1	1.4939457483871503	Astrazeneca	logCL
CCOC(=O)N1CCC(Nc2cc(Cl)ccn2)CC1	1.506910725551518	Astrazeneca	logCL
Cc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1	1.5153856501656597	Astrazeneca	logCL
Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(N)nc3n2)cs1	0.45255306322892536	Astrazeneca	logCL
N#Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	0.5774917998372253	Astrazeneca	logCL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O	0.965326372228036	Astrazeneca	logCL
COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1	0.9754318085092629	Astrazeneca	logCL
O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1	0.776835518526618	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(Cl)c2)CC1	0.7883451651521185	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCCC3)c(Cc3ccccc3C(F)(F)F)sc21	0.8205298485235197	Astrazeneca	logCL
O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc2c(=O)n([C@@H]3CNC[C@H]3O)ccc12	0.8785217955012065	Astrazeneca	logCL
COc1ccnc(CCc2nc3cc(Br)cnc3[nH]2)c1	1.3464996707809993	Astrazeneca	logCL
Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C	1.3654833049682502	Astrazeneca	logCL
COc1cc2ncnc(Nc3cc4ccccc4cn3)c2cc1OC	1.4653902879340976	Astrazeneca	logCL
COc1cc2nnc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1	1.4939457483871503	Astrazeneca	logCL
CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1	1.390405156480081	Astrazeneca	logCL
Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O	1.5153856501656597	Astrazeneca	logCL
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1	1.2154815806219106	Astrazeneca	logCL
O=C(O)CSCC(=O)Nc1nc(-c2ccccc2)cs1	1.2253635651434578	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	1.230704313612569	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2[nH]c(=O)sc12	0.45255306322892536	Astrazeneca	logCL
NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O	1.2976511032431821	Astrazeneca	logCL
Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1Cl	1.105765577004269	Astrazeneca	logCL
Nc1nc(-c2ccccc2)nn1Cc1ccccc1	0.9296743179485878	Astrazeneca	logCL
C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1	0.9754318085092629	Astrazeneca	logCL
Oc1nc2c(O)ccc(CCNCCCCCCOCCc3ccccc3)c2s1	1.437829806408219	Astrazeneca	logCL
COc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1	1.254185409462092	Astrazeneca	logCL
Oc1nc2c(O)ccc(CCNCCCOCCOCCc3ccccc3)c2s1	1.2976511032431821	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1	0.9296743179485878	Astrazeneca	logCL
Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3)c1	1.105765577004269	Astrazeneca	logCL
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(S(C)(=O)=O)ccc23)CC1	1.121559844187501	Astrazeneca	logCL
OB1c2ccccc2N=C(S)N1c1cccnc1	1.1453999825061554	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1	1.5828868317239315	Astrazeneca	logCL
CCOC(=O)c1cnc2c(N)cccc2c1O	1.2854875462601545	Astrazeneca	logCL
COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC	1.1515230675649442	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(Cl)cc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1	1.2184698571955572	Astrazeneca	logCL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)NCc2ccccc2)[C@@H](O)[C@H]1O	1.3054395093820221	Astrazeneca	logCL
COc1cccc2sc(NC(=O)c3ccccc3)nc12	1.844663528240239	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)cnn2-c2ccccc2)cc1	1.9485596621089616	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccc(Cl)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.975431808509263	Astrazeneca	logCL
CSc1nc(-c2ccccc2)nn1Cc1ccccc1	2.039889797736181	Astrazeneca	logCL
CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C	1.5882156652289985	Astrazeneca	logCL
NC1CCN(c2nccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2Cl)CC1	1.5882156652289985	Astrazeneca	logCL
CC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(C)cc1	1.5954637036355603	Astrazeneca	logCL
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(C(CO)CO)ccc12	1.5986810989071634	Astrazeneca	logCL
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1.6054526596226728	Astrazeneca	logCL
CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.7118283107859054	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1	1.7388598020722001	Astrazeneca	logCL
O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccccc2)CC1	0.6475296664449803	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCN(C)CC2)cc1	0.6744018128452817	Astrazeneca	logCL
CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)CC(=O)O	0.7657169725425046	Astrazeneca	logCL
CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NCc1ccccc1	1.8054427444453809	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C(C)=O)CC2)CC1	1.2976511032431821	Astrazeneca	logCL
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1	1.0723418215173193	Astrazeneca	logCL
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ncccc4c3C2)CC1	0.8205298485235197	Astrazeneca	logCL
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O	0.6955911119152198	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1	1.6188844849954505	Astrazeneca	logCL
O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1	0.6656278885377767	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2CC(F)(F)F)cc1	1.205880729887537	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C(F)(F)F)c2)C2CCN(S(C)(=O)=O)CC2)CC1	1.21423037122318	Astrazeneca	logCL
CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1	0.9296743179485878	Astrazeneca	logCL
CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1	0.850493071900963	Astrazeneca	logCL
Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12	0.8556735844047433	Astrazeneca	logCL
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	0.8785217955012065	Astrazeneca	logCL
Cc1c(C(=O)Nc2ccccc2)sc2ncnc(O)c12	0.6744018128452817	Astrazeneca	logCL
COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1	1.121559844187501	Astrazeneca	logCL
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	1.1255739703578216	Astrazeneca	logCL
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	1.2454114851545868	Astrazeneca	logCL
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O	1.2976511032431821	Astrazeneca	logCL
CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1	1.016824493667488	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C)c(C)nn2-c2ccccc2)cc1	1.0546130545568877	Astrazeneca	logCL
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O	0.45255306322892536	Astrazeneca	logCL
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1	0.8652935297674513	Astrazeneca	logCL
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1	0.7157944980035068	Astrazeneca	logCL
Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	1.121559844187501	Astrazeneca	logCL
C#CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O	1.2953702484895715	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.6286443222846065	Astrazeneca	logCL
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12	1.5554439210386872	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)N2N=Cc3ccccc3B2O)cc1	1.1255739703578216	Astrazeneca	logCL
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	1.2253635651434578	Astrazeneca	logCL
CCO/N=C/c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1	1.1515230675649442	Astrazeneca	logCL
CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	0.5955678634830205	Astrazeneca	logCL
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1	0.7157944980035068	Astrazeneca	logCL
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12	1.27537470853203	Astrazeneca	logCL
O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	1.2854875462601545	Astrazeneca	logCL
Cc1c(Sc2ccc(Cl)cc2)c2c(C#N)c(Cl)ccc2n1CC(=O)O	0.5774917998372253	Astrazeneca	logCL
Cc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1	1.6089002640888495	Astrazeneca	logCL
Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O	1.9797531822919054	Astrazeneca	logCL
COc1cnc(-c2ccccn2)nc1N(C)c1ccccc1	1.9924651478080433	Astrazeneca	logCL
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	2.0254246654294055	Astrazeneca	logCL
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1	2.1215598441875008	Astrazeneca	logCL
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1	1.9048507342235557	Astrazeneca	logCL
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	2.068853493671498	Astrazeneca	logCL
N#Cc1cccc(NCC(=O)Nc2c(Cl)ccc3nc(N4CC[C@@H](O)C4)ccc23)c1	1.4525530632289254	Astrazeneca	logCL
CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	1.4939457483871503	Astrazeneca	logCL
Cc1ccc2nc(CCNCCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2	1.4939457483871503	Astrazeneca	logCL
CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.5194998528595385	Astrazeneca	logCL
COc1ccc(N(C(=O)c2occc2Cl)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1	2.136799810744238	Astrazeneca	logCL
Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2c1	1.875416371058654	Astrazeneca	logCL
CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1	1.8892456608929795	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	1.8988312746679794	Astrazeneca	logCL
Cc1cc(C)c(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(O)n1	1.9654152668106621	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1	2.0546130545568877	Astrazeneca	logCL
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cc3)nc21	2.09544606058733	Astrazeneca	logCL
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1	0.9754318085092629	Astrazeneca	logCL
Nc1nccc(-n2ccc3ccccc32)n1	2.0246498311794445	Astrazeneca	logCL
CC(=O)NCc1cccc(C(=O)O)c1	1.5653814098349705	Astrazeneca	logCL
COc1ccc(N(C(=O)c2ccoc2Cl)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1	1.6566730458848502	Astrazeneca	logCL
CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1	1.7535830588929064	Astrazeneca	logCL
CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C)cc2)CC1	1.7949757440511316	Astrazeneca	logCL
Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)NS(=O)(=O)c4ccc(N(C)C)cc4)CC3)CC2)c1Cl	0.9296743179485878	Astrazeneca	logCL
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	0.7535830588929066	Astrazeneca	logCL
CN1CCN(c2nc3ccccc3cc2Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc32)CC1	1.8327643049405313	Astrazeneca	logCL
CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1	1.9485596621089616	Astrazeneca	logCL
N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13	2.0354493510408633	Astrazeneca	logCL
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC	2.0816227057726784	Astrazeneca	logCL
O=C(Nc1ccccc1Cl)c1cc[nH]n1	2.115436759128712	Astrazeneca	logCL
Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)ccn1	1.8839168273879128	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.9048507342235557	Astrazeneca	logCL
CC(C(=O)O)c1cccc(Oc2ccccc2)c1	0.9853074422214232	Astrazeneca	logCL
O=C(NO)c1ccc(NS(=O)(=O)c2ccccc2)cc1	1.0546130545568877	Astrazeneca	logCL
COc1ccc(C2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1	1.0653369199486609	Astrazeneca	logCL
CN1CCC[C@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21	0.9453134522557628	Astrazeneca	logCL
CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21	1.1153108949104995	Astrazeneca	logCL
O=C(O)C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.7535830588929066	Astrazeneca	logCL
CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12	0.9228655303963136	Astrazeneca	logCL
c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1	1.971067003106813	Astrazeneca	logCL
COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)c1	1.988269033214435	Astrazeneca	logCL
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C#N)cn3)CC1)C(=O)C2	1.988269033214435	Astrazeneca	logCL
COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC	2.0246498311794445	Astrazeneca	logCL
CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12	2.045432712311608	Astrazeneca	logCL
COc1ccccc1C(C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1	2.07923552946522	Astrazeneca	logCL
CCSc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1	2.1025366068740707	Astrazeneca	logCL
O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl	1.8892456608929795	Astrazeneca	logCL
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12	1.5954637036355603	Astrazeneca	logCL
O=C(NCc1ccccc1)c1cc(-c2ccco2)on1	1.825403720838113	Astrazeneca	logCL
Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1	1.5854528331734083	Astrazeneca	logCL
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1	0.7557491206494142	Astrazeneca	logCL
Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	0.8205298485235197	Astrazeneca	logCL
Cc1ccc(C(=O)Nc2nccs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.8205298485235197	Astrazeneca	logCL
Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	0.9754318085092629	Astrazeneca	logCL
O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	1.016824493667488	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	0.9754318085092629	Astrazeneca	logCL
O=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1	1.0653369199486609	Astrazeneca	logCL
c1cn(-c2ccc(Oc3cc(Oc4ccc5c(c4)OCO5)ncn3)cc2)cn1	1.0893751608160998	Astrazeneca	logCL
CNCCCN1c2ccccc2CCc2ccccc21	0.9953784901881053	Astrazeneca	logCL
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl	0.7754611677533972	Astrazeneca	logCL
O=C(O)c1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.8785217955012065	Astrazeneca	logCL
c1ccc(CSc2nc3cccnc3[nH]2)cc1	1.422589839851482	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12	1.7949757440511316	Astrazeneca	logCL
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1	0.9354266468376791	Astrazeneca	logCL
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2	1.850493071900963	Astrazeneca	logCL
O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1	0.6744018128452817	Astrazeneca	logCL
CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1	1.6154160565508515	Astrazeneca	logCL
N#Cc1ccc(Nc2nccc(NC3CC3)n2)cc1	1.6286443222846065	Astrazeneca	logCL
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	1.638189640190837	Astrazeneca	logCL
O=C1Nc2ccccc2B(O)N1c1ccccc1	0.6855491736210791	Astrazeneca	logCL
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1	1.78161178249315	Astrazeneca	logCL
CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1O	1.7954361153175808	Astrazeneca	logCL
Clc1ccccc1CN1CCc2sccc2C1	1.5194998528595385	Astrazeneca	logCL
N=C(N)c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1	0.8205298485235197	Astrazeneca	logCL
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1	0.5774917998372253	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1	1.5436335325762578	Astrazeneca	logCL
CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O	1.3054395093820221	Astrazeneca	logCL
C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1	0.8785217955012065	Astrazeneca	logCL
CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1	1.8079407212154992	Astrazeneca	logCL
CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)cc1	1.850493071900963	Astrazeneca	logCL
CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1	1.850493071900963	Astrazeneca	logCL
CSc1nccc(Nc2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)ccc2C)n1	1.8945099008853368	Astrazeneca	logCL
COc1ccc2nc(C)cc(-n3cc(CNC(C)=O)nn3)c2c1	0.8254650661990319	Astrazeneca	logCL
CSCCC(NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1	1.7747723579628447	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(SC(C)C)c(Cc3ccccc3C(F)(F)F)sc21	0.7995576424258118	Astrazeneca	logCL
COc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1	1.0546130545568877	Astrazeneca	logCL
Nc1nc(NCc2ccccc2)nc2c1nc(O)n2Cc1ccccc1	1.016824493667488	Astrazeneca	logCL
O=C(NCc1cccnc1)c1cc(-c2ccco2)on1	1.1153108949104995	Astrazeneca	logCL
N#Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.7535830588929066	Astrazeneca	logCL
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1	1.1555576836733168	Astrazeneca	logCL
O=C(O)[C@H](Cc1ccccc1F)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.5774917998372253	Astrazeneca	logCL
CSCCC(NC(=O)c1cnccn1)c1nc2ccccc2[nH]1	1.4667935023435357	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCCC2)cc1	1.4939457483871503	Astrazeneca	logCL
CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2	1.3178544893314692	Astrazeneca	logCL
Cc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)cc(C2(S(C)(=O)=O)CC2)n1	0.7350996531988935	Astrazeneca	logCL
O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1	0.7535830588929066	Astrazeneca	logCL
Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.7535830588929066	Astrazeneca	logCL
COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1	1.6286443222846065	Astrazeneca	logCL
CN(c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1)S(C)(=O)=O	1.0893751608160998	Astrazeneca	logCL
CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1	0.996621107579201	Astrazeneca	logCL
CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12	1.016824493667488	Astrazeneca	logCL
CC1(O)CN(S(=O)(=O)c2ccc3c(C(=O)NC[C@@H](O)CN4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)c[nH]c(=O)c3c2)C1	1.2385942734714797	Astrazeneca	logCL
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1	1.255326788520901	Astrazeneca	logCL
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1	1.3054395093820221	Astrazeneca	logCL
COCCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1	1.6054526596226728	Astrazeneca	logCL
CC(C)=CCC[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2	1.7236198355154633	Astrazeneca	logCL
NC(=O)c1c(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)ccc(Cl)c1Cl	0.9754318085092629	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12	0.9296743179485878	Astrazeneca	logCL
CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1	0.965326372228036	Astrazeneca	logCL
COc1ccc(-c2ccc3nc(N)sc3c2)cn1	0.8652935297674513	Astrazeneca	logCL
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1	1.1453999825061554	Astrazeneca	logCL
Cc1[nH]c2nc(NCc3cccc(Br)c3)nn2c(=O)c1Cc1ccccc1	1.1515230675649442	Astrazeneca	logCL
COc1c2occc2cc2ccc(=O)oc12	0.7535830588929066	Astrazeneca	logCL
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	1.1555576836733168	Astrazeneca	logCL
COc1ccncc1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1	1.7153995052687723	Astrazeneca	logCL
CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1	0.9296743179485878	Astrazeneca	logCL
O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1	1.0546130545568877	Astrazeneca	logCL
CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1	1.0254246654294055	Astrazeneca	logCL
CSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1	1.0353736965712177	Astrazeneca	logCL
Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1	0.5774917998372253	Astrazeneca	logCL
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O	1.7388598020722001	Astrazeneca	logCL
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1	1.3754514435744214	Astrazeneca	logCL
O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1	1.355643050220869	Astrazeneca	logCL
O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1	1.2654664198717809	Astrazeneca	logCL
O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1	1.2654664198717809	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c(=O)c2ccccc12	0.45255306322892536	Astrazeneca	logCL
NC(=O)N1c2ccccc2C=Cc2ccccc21	0.8205298485235197	Astrazeneca	logCL
COc1ccc(C#Cc2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)cc1	1.6754428708313753	Astrazeneca	logCL
CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1	1.0152423626576133	Astrazeneca	logCL
CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21	1.0353736965712177	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1	1.121559844187501	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1	0.6744018128452817	Astrazeneca	logCL
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1	1.165483226268469	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1	0.9296743179485878	Astrazeneca	logCL
CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2	0.8785217955012065	Astrazeneca	logCL
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1	1.3178544893314692	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1	1.3733718171813005	Astrazeneca	logCL
CC(=O)Nc1ccc2c(c1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O	1.53173430927655	Astrazeneca	logCL
Cc1ccc(C(=O)NC2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.6744018128452817	Astrazeneca	logCL
COc1cccc(S(=O)(=O)c2c(C)n(CC(=O)O)c3ccc(C)cc23)c1	0.45255306322892536	Astrazeneca	logCL
CS(=O)(=O)C1(c2cc(N3CC4CCC(C3)O4)nc(-c3cccc4[nH]ccc34)n2)CC1	0.9253095125461377	Astrazeneca	logCL
CCOc1ccc(NC(C)=O)cc1	1.3654833049682502	Astrazeneca	logCL
COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1	1.5194998528595385	Astrazeneca	logCL
CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1	1.5194998528595385	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1	1.5194998528595385	Astrazeneca	logCL
N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1	0.9053613685938509	Astrazeneca	logCL
C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1	1.2154815806219106	Astrazeneca	logCL
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccncc4s3)CC2)CC1	1.2253635651434578	Astrazeneca	logCL
Nc1nc2ccccc2s1	1.2253635651434578	Astrazeneca	logCL
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1	0.8955551347999869	Astrazeneca	logCL
Nc1ccc(-c2ccccc2Cl)cc1	1.575423986093361	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1	1.5756421149185909	Astrazeneca	logCL
OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F	1.6654505892979583	Astrazeneca	logCL
O=C(Nc1ccncc1)c1cccc2ccccc12	1.7554609358466013	Astrazeneca	logCL
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O	0.8155379029660207	Astrazeneca	logCL
Cc1c(Sc2ccc(Cl)cc2)c2c(-c3cnccn3)cccc2n1CC(=O)O	0.8785217955012065	Astrazeneca	logCL
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	0.7754611677533972	Astrazeneca	logCL
COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O	0.7956332679949032	Astrazeneca	logCL
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	1.121559844187501	Astrazeneca	logCL
CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	0.5986810989071634	Astrazeneca	logCL
CNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.121559844187501	Astrazeneca	logCL
Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1	1.1352996556018295	Astrazeneca	logCL
CC(=O)c1ncccc1NC(=O)[C@H]1CC[C@H](N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1	1.195539896549318	Astrazeneca	logCL
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C	1.8730588997997044	Astrazeneca	logCL
O=C(c1csc2c1CCCC2)N1CCCCC1	2.045432712311608	Astrazeneca	logCL
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1	1.4454010180092225	Astrazeneca	logCL
Nc1nnc(-c2ccccc2)s1	0.45255306322892536	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1	1.7747723579628447	Astrazeneca	logCL
CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1	1.3483438114793695	Astrazeneca	logCL
COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1	1.3733718171813005	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CC(=O)Nc3cccc(F)c3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.506910725551518	Astrazeneca	logCL
CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1	0.4952598022849817	Astrazeneca	logCL
Cc1ccc(NC(=O)C2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.5774917998372253	Astrazeneca	logCL
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21	0.5774917998372253	Astrazeneca	logCL
CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1	1.5254154196689518	Astrazeneca	logCL
Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl	1.545390626605857	Astrazeneca	logCL
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O	0.45255306322892536	Astrazeneca	logCL
CN(C)S(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	1.9099302597528307	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	1.212220907918556	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NC3CC3)ccc12	1.2976511032431821	Astrazeneca	logCL
O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1	1.1795517911651876	Astrazeneca	logCL
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2cscn2)cc1	1.3371596445268559	Astrazeneca	logCL
NC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O	1.4067955726682502	Astrazeneca	logCL
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1	1.4067955726682502	Astrazeneca	logCL
O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1	1.78161178249315	Astrazeneca	logCL
Cc1c(Sc2ccc(Cl)cc2)c2cc(-c3ccccc3)ccc2n1CC(=O)O	1.1795517911651876	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1	1.390405156480081	Astrazeneca	logCL
Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2Cl)c1	1.7754611677533974	Astrazeneca	logCL
Nc1nc2ccc(-c3ccncc3)cc2s1	1.2854875462601545	Astrazeneca	logCL
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12	1.2976511032431821	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1	1.254185409462092	Astrazeneca	logCL
Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)O)c1	0.5955678634830205	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1	1.3178544893314692	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCC(C)(C)C)c(C)nn2-c2ccccc2)cc1	1.4067955726682502	Astrazeneca	logCL
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	1.7054060942088185	Astrazeneca	logCL
C[C@@H](NC(=O)C1CCNCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1	0.5955678634830205	Astrazeneca	logCL
Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2	1.8282166771898107	Astrazeneca	logCL
COc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.8785217955012065	Astrazeneca	logCL
C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1	1.1754610750630332	Astrazeneca	logCL
CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1	1.2871856695650172	Astrazeneca	logCL
COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1	1.121559844187501	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1	1.205880729887537	Astrazeneca	logCL
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]ncc2c1	1.2976511032431821	Astrazeneca	logCL
Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2	1.875416371058654	Astrazeneca	logCL
Cc1cnc(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)[nH]1	1.9577030415488315	Astrazeneca	logCL
C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1	1.9945480989563358	Astrazeneca	logCL
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	1.315479126170656	Astrazeneca	logCL
Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1	1.355643050220869	Astrazeneca	logCL
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1	1.390405156480081	Astrazeneca	logCL
COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1	1.4153957444301677	Astrazeneca	logCL
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	1.4525530632289254	Astrazeneca	logCL
CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12	1.4554387514664135	Astrazeneca	logCL
Nc1c2c(nc3ccccc13)CCCC2	1.4597316478560487	Astrazeneca	logCL
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1	1.5153856501656597	Astrazeneca	logCL
Nc1nc(N)c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2n1	1.5194998528595385	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12	0.9134509059854732	Astrazeneca	logCL
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	0.9296743179485878	Astrazeneca	logCL
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21	0.585026217734483	Astrazeneca	logCL
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1	1.1352996556018295	Astrazeneca	logCL
Nc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1	1.315479126170656	Astrazeneca	logCL
COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C	0.8205298485235197	Astrazeneca	logCL
N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	0.8205298485235197	Astrazeneca	logCL
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O	0.785664326504347	Astrazeneca	logCL
N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1	0.8053785044508989	Astrazeneca	logCL
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2	1.6654505892979583	Astrazeneca	logCL
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cnc1N	1.6854645075750165	Astrazeneca	logCL
CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C4CCS(=O)(=O)CC4)C3)n(C)c2n1	1.2854875462601545	Astrazeneca	logCL
Cc1c(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(C#N)c1Cl	0.7157944980035068	Astrazeneca	logCL
Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C	0.5774917998372253	Astrazeneca	logCL
Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O	0.5774917998372253	Astrazeneca	logCL
O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O	1.0254246654294055	Astrazeneca	logCL
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1	0.9531554137981106	Astrazeneca	logCL
CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3	0.9554351800930093	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1	1.016824493667488	Astrazeneca	logCL
Cc1ccc2c(c1)c(-c1ccnc3c(Cl)cccc13)c(C)n2CC(=O)O	0.8205298485235197	Astrazeneca	logCL
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1	0.9154499635169262	Astrazeneca	logCL
Cc1ccc2c(c1)c(S(=O)(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O	0.8205298485235197	Astrazeneca	logCL
CN(C)CCCN1c2ccccc2CCc2ccccc21	1.1054437581811671	Astrazeneca	logCL
O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1	2.0254246654294055	Astrazeneca	logCL
Cc1cc(OCC(=O)NCc2ccccc2)c2cc(Br)ccc2n1	2.0754230420539472	Astrazeneca	logCL
O=CN(O)CCCP(=O)(O)O	0.45543875146641355	Astrazeneca	logCL
Cc1ccc(NC(=O)c2ccccc2F)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.45255306322892536	Astrazeneca	logCL
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	1.5354580574221552	Astrazeneca	logCL
CNc1nc(C)c(-c2nc(Nc3cccc(N4CCNCC4)c3)ncc2C#N)s1	1.2253635651434578	Astrazeneca	logCL
CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1	1.2598625423537824	Astrazeneca	logCL
c1ccc2c(c1)[nH]c1cnccc12	1.9248218151541756	Astrazeneca	logCL
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	1.9954199681005482	Astrazeneca	logCL
C[C@@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@H](C)O1	2.0054239838871104	Astrazeneca	logCL
CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1	2.055444655617191	Astrazeneca	logCL
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21	0.8960768099160505	Astrazeneca	logCL
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12	1.345389415855316	Astrazeneca	logCL
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1	1.3464996707809993	Astrazeneca	logCL
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1	0.8785217955012065	Astrazeneca	logCL
CCCCCOc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1	0.7157944980035068	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1	1.6744018128452818	Astrazeneca	logCL
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2	1.6744018128452818	Astrazeneca	logCL
CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ccccc4[nH]3)c(C)c2c1	1.5436335325762578	Astrazeneca	logCL
Oc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1	1.7554609358466013	Astrazeneca	logCL
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1	0.8155379029660207	Astrazeneca	logCL
O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCc2ccccc2C1	1.8954507245381778	Astrazeneca	logCL
COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1	2.0254246654294055	Astrazeneca	logCL
COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1	1.0893751608160998	Astrazeneca	logCL
O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1	0.6744018128452817	Astrazeneca	logCL
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1	0.6744018128452817	Astrazeneca	logCL
Nc1ccc(OCCc2ccccc2)cc1	1.73540166606357	Astrazeneca	logCL
COc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1	0.8205298485235197	Astrazeneca	logCL
C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1	0.8452500164885911	Astrazeneca	logCL
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O	0.8752523109363592	Astrazeneca	logCL
NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F	0.6855491736210791	Astrazeneca	logCL
COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	0.7535830588929066	Astrazeneca	logCL
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1	0.7535830588929066	Astrazeneca	logCL
CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1	0.7657169725425046	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl	1.8142808992465183	Astrazeneca	logCL
Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1	1.645399178417767	Astrazeneca	logCL
Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1	1.8054427444453809	Astrazeneca	logCL
COc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1	0.8351703747064099	Astrazeneca	logCL
Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	1.7153995052687723	Astrazeneca	logCL
CCC(NC(=O)Nc1cc(Cl)ccc1Cl)(C(F)(F)F)C(F)(F)F	0.8452500164885911	Astrazeneca	logCL
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12	1.2253635651434578	Astrazeneca	logCL
CC1CCC(CC(=O)Nc2cccc3ncccc23)CC1	1.5552154051260731	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1	1.6475296664449803	Astrazeneca	logCL
CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(C#N)c2)nc2[nH]c(=O)sc12	1.6954256348768668	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1	1.699707678110052	Astrazeneca	logCL
COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1	1.7236198355154633	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2COCCN2)c1	1.7425876745914435	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)cnn2-c2ccccc2)cc1	1.746283820151407	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.7678234980075167	Astrazeneca	logCL
Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O	0.8205298485235197	Astrazeneca	logCL
Cc1ccc2c(c1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O	0.8205298485235197	Astrazeneca	logCL
Cc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)O	0.6744018128452817	Astrazeneca	logCL
O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1	0.6744018128452817	Astrazeneca	logCL
COCCNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1	0.7157944980035068	Astrazeneca	logCL
Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	0.7535830588929066	Astrazeneca	logCL
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21	0.6353480085791131	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3c[nH]c4ccccc34)CCC1CC2)(c1ccccc1)N1CCCCC1	1.7949757440511316	Astrazeneca	logCL
N#Cc1ccc(Cl)cc1O[C@H](CCN)c1ccccc1	0.5774917998372253	Astrazeneca	logCL
CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1	1.3178544893314692	Astrazeneca	logCL
CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O	1.4953909892613313	Astrazeneca	logCL
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cccnc23)CC1	1.3654833049682502	Astrazeneca	logCL
CC(=O)Nc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1	1.390405156480081	Astrazeneca	logCL
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21	1.4067955726682502	Astrazeneca	logCL
O=C(NCC1CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	0.9048507342235557	Astrazeneca	logCL
Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O	1.016824493667488	Astrazeneca	logCL
CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1	1.0546130545568877	Astrazeneca	logCL
Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n[nH]1	1.0546130545568877	Astrazeneca	logCL
O=S1(=O)CC(O)C(N2CCC(c3ccccc3)CC2)C1	0.6955911119152198	Astrazeneca	logCL
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1	0.5774917998372253	Astrazeneca	logCL
N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2nn[nH]c12	1.3371596445268559	Astrazeneca	logCL
O=C(NC1CC1)c1cc(-c2cccs2)on1	1.5653814098349705	Astrazeneca	logCL
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	1.7654353288997524	Astrazeneca	logCL
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	1.7949757440511316	Astrazeneca	logCL
O=c1[nH]c2cc(Cl)ccc2o1	1.45443094018262	Astrazeneca	logCL
CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3C[C@@H]4[C@@H](N)[C@@H]4C3)c2c1Cl	1.5053752101679323	Astrazeneca	logCL
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	1.545390626605857	Astrazeneca	logCL
O=C1COc2c(CCNCCN(C(=O)CCNCCc3ccc(Cl)c(Cl)c3)C3CCCCC3)ccc(O)c2N1	1.5552154051260731	Astrazeneca	logCL
COc1ccc(-c2ccnc(N)n2)cc1	1.5882156652289985	Astrazeneca	logCL
CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1	1.6188844849954505	Astrazeneca	logCL
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	1.6354430297985936	Astrazeneca	logCL
COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12	0.8556735844047433	Astrazeneca	logCL
COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1	1.7678234980075167	Astrazeneca	logCL
C[C@@](C(=O)O[C@H]1C[N+]2(CC(=O)Nc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	1.7678234980075167	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccc(F)cc12	0.8785217955012065	Astrazeneca	logCL
CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCNCC4)c3)ncc2C#N)s1	1.4153957444301677	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1	1.4939457483871503	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1	1.5194998528595385	Astrazeneca	logCL
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	1.1054437581811671	Astrazeneca	logCL
Cn1c(=O)c2[nH]cnc2n(C)c1=O	0.6557673219238261	Astrazeneca	logCL
CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	2.0854151033291553	Astrazeneca	logCL
COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1	1.7236198355154633	Astrazeneca	logCL
CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1	1.1352996556018295	Astrazeneca	logCL
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21	1.2184698571955572	Astrazeneca	logCL
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1	2.039889797736181	Astrazeneca	logCL
C=CC(=O)Nc1cccc(CN2C(=O)N(c3c(Cl)c(OC)cc(OC)c3Cl)Cc3cnc(NCCCCN(CC)CC)nc32)c1	1.915449963516926	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12	0.9154499635169262	Astrazeneca	logCL
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1	0.7350996531988935	Astrazeneca	logCL
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	1.3754514435744214	Astrazeneca	logCL
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1	1.4454010180092225	Astrazeneca	logCL
O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12	0.6257393316411994	Astrazeneca	logCL
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2	1.9654152668106621	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	2.06544283251641	Astrazeneca	logCL
Cc1cccc(Nc2ccccc2C(=O)O)c1C	0.9296743179485878	Astrazeneca	logCL
O=C(c1cc2ccccc2[nH]1)N1CCNCC1	1.003596227933733	Astrazeneca	logCL
CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1	1.0254246654294055	Astrazeneca	logCL
Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12	1.0152423626576133	Astrazeneca	logCL
CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12	0.8955551347999869	Astrazeneca	logCL
Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2	1.1352996556018295	Astrazeneca	logCL
COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1	2.115436759128712	Astrazeneca	logCL
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCOCC4)nn3c2)c1	0.6744018128452817	Astrazeneca	logCL
Cc1ccc2c(c1)c(-c1ccnc3c(C(F)(F)F)cccc13)c(C)n2CC(=O)O	0.7236198355154634	Astrazeneca	logCL
O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2c(F)cccc12	0.7535830588929066	Astrazeneca	logCL
O=C(O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1	1.6414503128941917	Astrazeneca	logCL
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1	1.6414503128941917	Astrazeneca	logCL
CN1CCN(c2nc3ccccc3cc2Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc32)CC1	1.2816423166770243	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12	1.1610683854711745	Astrazeneca	logCL
C#CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O	1.9814126533109686	Astrazeneca	logCL
Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O	2.001392718365642	Astrazeneca	logCL
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O	1.4112761744937043	Astrazeneca	logCL
Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1	1.241506635238302	Astrazeneca	logCL
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1	1.631338226689478	Astrazeneca	logCL
CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1	1.8513415295548816	Astrazeneca	logCL
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1	1.8613957968289354	Astrazeneca	logCL
COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12	0.9119455509881563	Astrazeneca	logCL
Nc1c(-c2ccccc2)nc(Cl)nc1-c1ccccc1	2.071367910690048	Astrazeneca	logCL
CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1	1.3512782448184188	Astrazeneca	logCL
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O	1.0517080639134806	Astrazeneca	logCL
Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1	2.1413682375410534	Astrazeneca	logCL
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(C(=O)NCCO)c3)nc2n1	1.4014005407815442	Astrazeneca	logCL
CC(C)[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1	1.4813050084482648	Astrazeneca	logCL
CCNC(=O)OC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1	2.2114313271873836	Astrazeneca	logCL
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC	1.1313748264810997	Astrazeneca	logCL
NCCCCCc1c[nH]c2ccc(F)cc12	2.271394540903286	Astrazeneca	logCL
Nc1nc2ccc(F)cc2s1	1.1610683854711745	Astrazeneca	logCL
O=C(O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1	1.371282184528044	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.1140502424087555	Astrazeneca	logCL
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(CC(=O)O)cc2)cc1	1.0817360541961074	Astrazeneca	logCL
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2	1.0716463938556682	Astrazeneca	logCL
Cc1nn(-c2ccccc2)c(N)c1-c1ccccc1	1.9114090537217787	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl	1.9696022648485392	Astrazeneca	logCL
O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1CC1	1.3613953791099602	Astrazeneca	logCL
O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12	1.7914520372405314	Astrazeneca	logCL
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2F)nc2nc(N)sc12	1.8913590202063788	Astrazeneca	logCL
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2	1.9114090537217787	Astrazeneca	logCL
CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1	1.3791241460703918	Astrazeneca	logCL
COc1ccccc1SC[C@@H](C)CN[C@@H]1COc2ccccc2SC1	2.1114332398472975	Astrazeneca	logCL
CC/C(=C(/c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1	2.1413682375410534	Astrazeneca	logCL
Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1	2.121394367149148	Astrazeneca	logCL
Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1	1.6812955207931821	Astrazeneca	logCL
Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl	1.5113164038053373	Astrazeneca	logCL
Cc1ccc(-c2cc(-c3ccccc3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	1.5314124904534483	Astrazeneca	logCL
COCCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	2.0413847888231325	Astrazeneca	logCL
COc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1	2.1814296681188825	Astrazeneca	logCL
CCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F	1.581526415945598	Astrazeneca	logCL
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12	2.5013917743262284	Astrazeneca	logCL
O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1	2.5113838356014364	Astrazeneca	logCL
CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(C#N)c2)nc2[nH]c(=O)sc12	1.7514546343605744	Astrazeneca	logCL
COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC)cc2)cc1	1.6812955207931821	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12	1.6903201464432707	Astrazeneca	logCL
Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1	1.8231689419884682	Astrazeneca	logCL
C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1	1.7418446556216625	Astrazeneca	logCL
O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1	1.7314082416543033	Astrazeneca	logCL
C=CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	2.321419456810459	Astrazeneca	logCL
Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	1.2990276320719856	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccco2)nc2[nH]c(=O)sc12	1.8375631878223002	Astrazeneca	logCL
COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1	1.7414478584429371	Astrazeneca	logCL
O=C(CC1CCCCCC1)Nc1cccc2c(=O)n([C@H]3CCNC3)ccc12	0.9328794578237992	Astrazeneca	logCL
O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c(=O)n(CCO)ccc12	1.90655051910145	Astrazeneca	logCL
Cc1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1	1.9614267896944364	Astrazeneca	logCL
O=C(CCCc1ccc2cccnc2n1)NCc1cc(-c2ccc(F)c(C(F)(F)F)c2)no1	1.701343440804311	Astrazeneca	logCL
CC(CO)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.0933656435489045	Astrazeneca	logCL
COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1	2.4983105537896004	Astrazeneca	logCL
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1	2.1014116031036565	Astrazeneca	logCL
CNc1ncnc2c(CNc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3C)cccc12	2.0214324359078413	Astrazeneca	logCL
COc1ccnc(CCc2nc3cc(Br)cnc3[nH]2)c1	0.9065505191014501	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2[nH]c(=O)sc12	1.880255508310207	Astrazeneca	logCL
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOCC1	1.6114513906566812	Astrazeneca	logCL
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1	1.6614719287666189	Astrazeneca	logCL
O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1O	1.671380217426868	Astrazeneca	logCL
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1	1.5713687147784365	Astrazeneca	logCL
C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1	1.59145195854075	Astrazeneca	logCL
Cc1ccc(-c2cccc([S@]3(=O)=NC(=O)[C@H](C)N3)c2)cc1	1.691435152144062	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]ncc12	1.651332297415739	Astrazeneca	logCL
COc1cc(C(CO)CO)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	1.701343440804311	Astrazeneca	logCL
CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	0.9417300155724179	Astrazeneca	logCL
Cc1ccc(CCNC(=O)c2ccc3sc(CO)nc3c2)cc1	2.031421391894954	Astrazeneca	logCL
CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12	2.0448532172677316	Astrazeneca	logCL
Nc1ccc2c(c1)Cc1cc(N)ccc1-2	2.1914040611720336	Astrazeneca	logCL
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([S+](C)[O-])cc2)cc1	1.5713687147784365	Astrazeneca	logCL
CC(C)Oc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	2.341418695789207	Astrazeneca	logCL
N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccncc4s3)CC2)CC1	1.0915966208100578	Astrazeneca	logCL
COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	1.841364476702449	Astrazeneca	logCL
CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12	1.4014005407815442	Astrazeneca	logCL
COc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	1.5014262708894066	Astrazeneca	logCL
Cn1sc(=O)c2cc(S(N)(=O)=O)ccc21	1.841364476702449	Astrazeneca	logCL
CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	1.9313439424402135	Astrazeneca	logCL
O=S(=O)(Nc1ccc2sc(CO)nc2c1)c1ccc(Br)cc1	1.7914520372405314	Astrazeneca	logCL
CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NCc1ccccc1	1.8014201758467026	Astrazeneca	logCL
Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(=O)[nH]c3n2)cs1	0.9199144806594315	Astrazeneca	logCL
CCOc1ccc2nc(N)sc2c1	1.4813050084482648	Astrazeneca	logCL
C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1S(=O)(=O)Cc1ccccc1	1.3409197934001627	Astrazeneca	logCL
COc1cc(C2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	1.7814307887493748	Astrazeneca	logCL
Cc1nn(C)c2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12	1.2712187487608724	Astrazeneca	logCL
O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2sc(CO)nc2c1	1.59145195854075	Astrazeneca	logCL
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(=O)O)cc2)cc1	1.4315953261382954	Astrazeneca	logCL
COc1cc(N2CCN(C(=O)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	1.491305652220942	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12	1.767262756184099	Astrazeneca	logCL
C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1C(=O)Cc1ccc(Cl)cc1	1.5317343092765503	Astrazeneca	logCL
NC(=O)NC(=O)C(Nc1ccc2c(c1)CCC2)c1ccccc1	1.5412796271827807	Astrazeneca	logCL
CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1	1.9913501421072517	Astrazeneca	logCL
CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1	1.59145195854075	Astrazeneca	logCL
CC(C)NCC(O)COc1cccc2[nH]ccc12	1.2816423166770243	Astrazeneca	logCL
Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1	1.6812955207931821	Astrazeneca	logCL
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2	1.6215086288215992	Astrazeneca	logCL
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	1.5612683878741107	Astrazeneca	logCL
CN(C)CCCN1c2ccccc2CCc2ccccc21	1.1511368563506053	Astrazeneca	logCL
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21	1.1795517911651878	Astrazeneca	logCL
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1	1.2014299000256783	Astrazeneca	logCL
CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC(C)C)cc1C21N=C(C)C(N)=N1	1.261139106978691	Astrazeneca	logCL
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1	1.2712187487608724	Astrazeneca	logCL
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	1.6414503128941917	Astrazeneca	logCL
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1	1.3613953791099602	Astrazeneca	logCL
CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1	1.0613167408513944	Astrazeneca	logCL
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2	1.5713687147784365	Astrazeneca	logCL
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl	1.6114513906566812	Astrazeneca	logCL
Nc1c2c(nc3ccccc13)CCCC2	1.5412796271827807	Astrazeneca	logCL
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1	1.2216020002671844	Astrazeneca	logCL
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F	1.2216020002671844	Astrazeneca	logCL
CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12	2.061411762070875	Astrazeneca	logCL
O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	0.9719434806634417	Astrazeneca	logCL
NC1(c2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CCC1	1.5314124904534483	Astrazeneca	logCL
Cc1ccc2[nH]c(C(=O)O)nc2c1	1.3912951045003172	Astrazeneca	logCL
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl	1.0507353994936859	Astrazeneca	logCL
C[C@H](Oc1ccc(Cl)cc1CN1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1)C(=O)O	1.0734983987172617	Astrazeneca	logCL
C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1	1.1115179058933604	Astrazeneca	logCL
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl	2.341418695789207	Astrazeneca	logCL
NC1(c2ccc(-c3c(-c4ccccc4)ccc4ccnn34)cc2)CCC1	1.4112761744937043	Astrazeneca	logCL
O=C1NC(=O)C(=CC=Cc2ccccc2)S1	1.4213472224603865	Astrazeneca	logCL
COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1	2.4114035149086037	Astrazeneca	logCL
O=c1c2sccc2n(CC2COc3ccccc3O2)c(=O)n1O	2.5314124904534485	Astrazeneca	logCL
CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F	1.4613424288434989	Astrazeneca	logCL
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1	1.4315953261382954	Astrazeneca	logCL
C=CCc1ccccc1OCC(O)CNC(C)C	1.521315951039535	Astrazeneca	logCL
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC	1.23134723672318	Astrazeneca	logCL
CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21	1.1012382666487899	Astrazeneca	logCL
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1	1.8314755963334834	Astrazeneca	logCL
COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](OP(=O)(O)O)C1CC1	1.491305652220942	Astrazeneca	logCL
NC1=Nc2ccccc2Sc2ccccc21	1.3012210432086404	Astrazeneca	logCL
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O	1.0613167408513944	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1	2.0034605321095063	Astrazeneca	logCL
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1	2.031421391894954	Astrazeneca	logCL
O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCCN1CCCC1	1.1417632302757879	Astrazeneca	logCL
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C	0.9417300155724179	Astrazeneca	logCL
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	1.0215365957553015	Astrazeneca	logCL
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1	1.8814074837386947	Astrazeneca	logCL
N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	1.951384151941233	Astrazeneca	logCL
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	1.001283612855232	Astrazeneca	logCL
O=C(O)C1CSC(c2ccccc2Cl)N1C(=O)c1ccc(Cl)cc1	1.59145195854075	Astrazeneca	logCL
O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CC1	2.3814039123652906	Astrazeneca	logCL
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	1.5475285764597821	Astrazeneca	logCL
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(C)O	1.9814126533109686	Astrazeneca	logCL
C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O	0.9719434806634417	Astrazeneca	logCL
COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O	1.0898203627842546	Astrazeneca	logCL
Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2	1.4315953261382954	Astrazeneca	logCL
NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1	1.6614719287666189	Astrazeneca	logCL
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1	1.5412796271827807	Astrazeneca	logCL
Cc1nn(C2CCCCC2)c(N)c1-c1ccccc1	1.5412796271827807	Astrazeneca	logCL
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12	1.5612683878741107	Astrazeneca	logCL
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C	2.1014116031036565	Astrazeneca	logCL
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)N(C)C	1.0318284158065678	Astrazeneca	logCL
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O	1.9114090537217787	Astrazeneca	logCL
CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1	1.8014201758467026	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2COCCN2)c1	1.605520523437469	Astrazeneca	logCL
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1	1.5612683878741107	Astrazeneca	logCL
CC1(COc2cc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)ccc2NC(=O)CN2CCOCC2)COC1	2.3814039123652906	Astrazeneca	logCL
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]	1.7514546343605744	Astrazeneca	logCL
CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12	1.8713697502815037	Astrazeneca	logCL
Clc1ccccc1CN1CCc2sccc2C1	2.151368624290947	Astrazeneca	logCL
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCOCC4)nn3c2)c1	0.9316002389846263	Astrazeneca	logCL
O=c1[nH]c2cc(Cl)ccc2o1	1.4412110949298944	Astrazeneca	logCL
NC1=Nc2ccccc2Sc2cccc(F)c21	1.521315951039535	Astrazeneca	logCL
COc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1	1.5412796271827807	Astrazeneca	logCL
FC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1Cl	1.7914520372405314	Astrazeneca	logCL
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	1.371282184528044	Astrazeneca	logCL
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCCC4)nn3c2)c1	1.0817360541961074	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1	1.1148910838754866	Astrazeneca	logCL
NC(=O)N1c2ccccc2C=Cc2ccccc21	1.121559844187501	Astrazeneca	logCL
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	1.1313748264810997	Astrazeneca	logCL
CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C	1.59145195854075	Astrazeneca	logCL
CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1	1.5014262708894066	Astrazeneca	logCL
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O	1.771358148127597	Astrazeneca	logCL
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	1.8113336641128386	Astrazeneca	logCL
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1	1.841364476702449	Astrazeneca	logCL
C=CC(=O)Nc1ccc(OC)cc1	1.4315953261382954	Astrazeneca	logCL
N#Cc1cccc(-c2cccc(C(=O)O)c2)c1	1.3114910863756122	Astrazeneca	logCL
CCc1cccc2cc(C(O)CNC(C)(C)C)oc12	1.3414186957892074	Astrazeneca	logCL
COc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1	2.1413682375410534	Astrazeneca	logCL
Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl	1.251433798471313	Astrazeneca	logCL
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1	1.2116330587766282	Astrazeneca	logCL
O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1	1.562768543016519	Astrazeneca	logCL
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1	1.6414503128941917	Astrazeneca	logCL
O=C(Nc1nc2ccccc2s1)c1ccccc1	2.2913741791855404	Astrazeneca	logCL
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12	1.821356289271302	Astrazeneca	logCL
CCOc1ccc2ccc(=O)oc2c1	1.951384151941233	Astrazeneca	logCL
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1	0.9212285345572628	Astrazeneca	logCL
Cn1cnc2c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)ccc21	0.9212285345572628	Astrazeneca	logCL
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1	0.9935772981774109	Astrazeneca	logCL
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1	1.001283612855232	Astrazeneca	logCL
NC1(c2ccc(-c3ncc4cccnc4c3-c3ccccc3)cc2)CCC1	1.691435152144062	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12	1.7004718008089537	Astrazeneca	logCL
C=CC(=O)Nc1ccc(C)cc1	1.7314082416543033	Astrazeneca	logCL
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1	0.9811841373983542	Astrazeneca	logCL
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1	1.8113336641128386	Astrazeneca	logCL
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12	2.1413682375410534	Astrazeneca	logCL
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1	2.221404847589862	Astrazeneca	logCL
N#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5[nH]cnc45)cc3)cc2)cc1	2.231411476717662	Astrazeneca	logCL
CC(C)(C)NC(=O)NCCN1CC(NC(=O)c2cc(Cl)cc(Cl)c2)C1	0.9212285345572628	Astrazeneca	logCL
C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1	0.9516288938366382	Astrazeneca	logCL
CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1	1.8150355379801	Astrazeneca	logCL
OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)c(F)c1)(C(F)(F)F)C(F)(F)F	1.3414186957892074	Astrazeneca	logCL
NC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1	0.9719434806634417	Astrazeneca	logCL
O=C(NCc1ccc(OC(F)(F)F)cc1)C1c2ccccc2C(=O)N1CC1CC(F)(F)C1	1.4014005407815442	Astrazeneca	logCL
C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1	1.4315953261382954	Astrazeneca	logCL
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	2.0114215654456893	Astrazeneca	logCL
COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](O)C1CC1	1.7614256299709417	Astrazeneca	logCL
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1	1.651332297415739	Astrazeneca	logCL
CC(=O)Nc1ccc(O)cc1	1.2014299000256783	Astrazeneca	logCL
CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4	1.6614719287666189	Astrazeneca	logCL
COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1	1.7024305364455252	Astrazeneca	logCL
O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2	0.9823255164571634	Astrazeneca	logCL
O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1	1.571074974840351	Astrazeneca	logCL
CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1	1.59145195854075	Astrazeneca	logCL
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12	1.651332297415739	Astrazeneca	logCL
Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1	1.671380217426868	Astrazeneca	logCL
N=C(N)N1CCc2ccccc2C1	1.001283612855232	Astrazeneca	logCL
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O	1.8713697502815037	Astrazeneca	logCL
Cc1noc2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12	1.8814074837386947	Astrazeneca	logCL
C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)C(n3cnc4ccccc43)=CCC12	1.941354382437941	Astrazeneca	logCL
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21	0.9404766395743207	Astrazeneca	logCL
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1	0.9913501421072518	Astrazeneca	logCL
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1	1.1795517911651878	Astrazeneca	logCL
NC1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1	1.2912622620397325	Astrazeneca	logCL
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC	1.2116330587766282	Astrazeneca	logCL
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO	1.0817360541961074	Astrazeneca	logCL
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	1.1916857048147858	Astrazeneca	logCL
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12	1.6215086288215992	Astrazeneca	logCL
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	1.4213472224603865	Astrazeneca	logCL
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1	1.3912951045003172	Astrazeneca	logCL
CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12	1.5314124904534483	Astrazeneca	logCL
NC1(c2ccc(-c3c(-c4ccccc4)ccn4ccnc34)cc2)CCC1	1.3613953791099602	Astrazeneca	logCL
O=c1ccc2ccc(O)cc2o1	2.491411564788691	Astrazeneca	logCL
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	1.941354382437941	Astrazeneca	logCL
C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO	1.581526415945598	Astrazeneca	logCL
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O	1.331330100866132	Astrazeneca	logCL
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC	1.821356289271302	Astrazeneca	logCL
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C	1.8314755963334834	Astrazeneca	logCL
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2	1.8513415295548816	Astrazeneca	logCL
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1	1.0318284158065678	Astrazeneca	logCL
Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O	1.0790074935020373	Astrazeneca	logCL
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1	1.121559844187501	Astrazeneca	logCL
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl	1.1511368563506053	Astrazeneca	logCL
O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O	1.2014299000256783	Astrazeneca	logCL
Cc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1	2.1814296681188825	Astrazeneca	logCL
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.2816423166770243	Astrazeneca	logCL
Cc1cc(=O)n(-c2ccccc2)n1C	1.0517080639134806	Astrazeneca	logCL
CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12	1.1707778668576827	Astrazeneca	logCL
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12	1.2912622620397325	Astrazeneca	logCL
CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1	2.1114332398472975	Astrazeneca	logCL
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1	1.3012210432086404	Astrazeneca	logCL
CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2	1.1795517911651878	Astrazeneca	logCL
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1	1.2458777165272255	Astrazeneca	logCL
C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1	1.8014201758467026	Astrazeneca	logCL
CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12	1.7114562785324356	Astrazeneca	logCL
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1	1.331330100866132	Astrazeneca	logCL
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1	1.1046919189002053	Astrazeneca	logCL
CNCCCN1c2ccccc2CCc2ccccc21	1.241506635238302	Astrazeneca	logCL
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1	1.9913501421072517	Astrazeneca	logCL
O=C(O)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1	1.9913501421072517	Astrazeneca	logCL
O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12	2.029789470831856	Astrazeneca	logCL
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1	2.2075805147654313	Astrazeneca	logCL
C=CC(=O)Nc1ccccc1	1.8913590202063788	Astrazeneca	logCL
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1	1.9814126533109686	Astrazeneca	logCL
COc1ccc(/C=C2\NC(=O)NC2=O)cc1	2.001392718365642	Astrazeneca	logCL
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	2.1581127009463157	Astrazeneca	logCL
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3	1.5113164038053373	Astrazeneca	logCL
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1	1.0613167408513944	Astrazeneca	logCL
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1	1.0716463938556682	Astrazeneca	logCL
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1	1.121559844187501	Astrazeneca	logCL
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21	1.1916857048147858	Astrazeneca	logCL
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O	1.7668885256724438	Astrazeneca	logCL
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1	1.23134723672318	Astrazeneca	logCL
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O	1.246498580795801	Astrazeneca	logCL
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	1.251433798471313	Astrazeneca	logCL
CC(c1cc2ccccc2s1)N(O)C(N)=O	1.2912622620397325	Astrazeneca	logCL
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O	1.007781905892149	Astrazeneca	logCL
CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1	1.1610683854711745	Astrazeneca	logCL
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	1.0915966208100578	Astrazeneca	logCL
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1	1.331330100866132	Astrazeneca	logCL
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12	1.3613953791099602	Astrazeneca	logCL
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O	1.4412110949298944	Astrazeneca	logCL
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1	1.7035149177377453	Astrazeneca	logCL
FC=1C(=O)NC(=O)NC=1	1.414973347970818	Iwata	logCL
S=C1N=CNc2nc[nH]c12	1.1760912590556813	Iwata	logCL
O(C)[C@@H]1[C@H](NC)C[C@H]2O[C@]1(C)n1c3c4n2c2c(c4c4C(=O)N[C@H](O)c4c3c3c1cccc3)cccc2	-3.3419886033428874	Iwata	logCL
O=C1[C@](O)(CC)C2=C(C(=O)N3C(c4nc5c(c(N)ccc5)cc4C3)=C2)CO1	0.8129133566428556	Iwata	logCL
OC[C@@H]1C=C[C@H](n2c3nc(N)nc(NC4CC4)c3nc2)C1	1.1139433523068367	Iwata	logCL
O=C(Nc1ccc(C(=O)NCCN(CC)CC)cc1)C	0.6020599913279624	Iwata	logCL
O=C(Nc1ccc(O)cc1)C	0.6989700043360189	Iwata	logCL
S(=O)(=O)(N)c1sc(NC(=O)C)nn1	-0.18708664335714442	Iwata	logCL
O=C(Oc1c(C(=O)O)cccc1)C	1.0791812460476249	Iwata	logCL
ClC1=NO[C@H]([C@H](N)C(=O)O)C1	-0.16115090926274472	Iwata	logCL
O=C1[C@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@@H]2N(C(C)=N1)CCCC2	0.8318697742805017	Iwata	logCL
O(CCO)Cn1c2NC(N)=NC(=O)c2nc1	0.6720978579357175	Iwata	logCL
P(=O)(O)(O)COCCn1c2ncnc(N)c2nc1	0.568201724066995	Iwata	logCL
OC(CNC(C)(C)C)c1cc(CO)c(O)cc1	0.8920946026904804	Iwata	logCL
O=C(N(c1ccccc1)C1(COC)CCN(CCN2C(=O)N(CC)N=N2)CC1)CC	0.5910646070264992	Iwata	logCL
O=C1N=CN=C2NNC=C12	1.0413926851582251	Iwata	logCL
S(=O)(=O)(Cc1cc2c(CCN(C)C)c[nH]c2cc1)N1CCCC1	0.9493900066449128	Iwata	logCL
Clc1cc2C(c3ccccc3)=NCc3n(c(C)nn3)-c2cc1	-0.13076828026902382	Iwata	logCL
NC12CC3CC(C1)CC(C2)C3	0.6812412373755872	Iwata	logCL
Fc1c(N2CCN(C)CC2)cc2N(NC)C=C(C(=O)O)C(=O)c2c1	0.658964842664435	Iwata	logCL
O=C(N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](N)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CN)O2)[C@@H](N)C1)[C@@H](O)CCN	0.04139268515822508	Iwata	logCL
O=C(O)C1(N)CC1	0.17609125905568124	Iwata	logCL
Ic1c(OCCN(CC)CC)c(I)cc(C(=O)c2c(CCCC)oc3c2cccc3)c1	0.2787536009528289	Iwata	logCL
N(CCC=C1c2c(cccc2)CCc2c1cccc2)(C)C	0.785329835010767	Iwata	logCL
Clc1c(C2C(C(=O)OCC)=C(COCCN)NC(C)=C2C(=O)OC)cccc1	0.8450980400142568	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)[C@H](N)c1ccc(O)cc1	0.5185139398778874	Iwata	logCL
O=C(O)[C@@H]1[C@@H](O)C[C@]2(O)O[C@H]1C[C@@H](O[C@H]1[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O1)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C2	-0.769551078621726	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)[C@H](N)c1ccccc1	0.4471580313422192	Iwata	logCL
O=C1C(N)=CC(c2ccncc2)=CN1	0.9493900066449128	Iwata	logCL
S(=O)(=O)(Nc1cc(OC)c(Nc2c3c(nc4c2cccc4)cccc3)cc1)C	0.6334684555795865	Iwata	logCL
S(=O)(=O)(Nc1cc(OC)c(Nc2c3c(c(C(=O)NC)ccc3)nc3c(C)cccc23)cc1)C	0.414973347970818	Iwata	logCL
O=C(N[C@@H]1C(=O)N[C@@H]([C@H](O)C)C(=O)N2[C@H](C(=O)N[C@@H]([C@H](O)[C@@H](O)c3ccc(O)cc3)C(=O)N[C@@H]([C@H](O)C)C(=O)N3[C@@H]([C@@H](O)[C@@H](C)C3)C(=O)N[C@H](O)[C@H](O)C1)C[C@@H](O)C2)c1ccc(-c2ccc(-c3ccc(OCCCCC)cc3)cc2)cc1	-0.6777807052660807	Iwata	logCL
O=C1N(N(C)C(C)=C1)c1ccccc1	-0.1938200260161128	Iwata	logCL
FC(F)(F)c1cc([C@H](O[C@@H]2[C@@H](N(CC3=NC(=O)NN3)CCO2)c2ccc(F)cc2)C)cc(C(F)(F)F)c1	0.0	Iwata	logCL
O=C(O[C@H]1[C@H](C)[C@H]2[C@@]34OO[C@@](C)(O[C@H]3O1)CC[C@H]4[C@H](C)CC2)CCC(=O)O	3.0293837776852097	Iwata	logCL
O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1	0.3979400086720376	Iwata	logCL
O([C@H](CCNC)c1ccccc1)c1c(C)cccc1	0.9684829485539351	Iwata	logCL
O=C(OC1C[C@@H]2N(C)[C@H](C1)CC2)C(CO)c1ccccc1	0.8808135922807914	Iwata	logCL
Clc1ccc(CC2=NN(C(=O)c3c2cccc3)C2CCN(C)CCC2)cc1	0.9542425094393249	Iwata	logCL
O([C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@]1(O)C)[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1	1.0	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)SC12)C(NC(=O)N1C(=O)NCC1)c1ccccc1	0.3979400086720376	Iwata	logCL
S(=O)(=O)(O)N1[C@@H](C)[C@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2nc(N)sc2)C1=O	0.17609125905568124	Iwata	logCL
F[C@]12[C@@H](O)C[C@]3(C)[C@@](O)(C(=O)CO)[C@@H](C)C[C@H]3[C@@H]1CCC=1[C@]2(C)C=CC(=O)C=1	0.4471580313422192	Iwata	logCL
O=C(O)CCNC(=O)c1ccccc1	0.9637878273455552	Iwata	logCL
O(CCc1ccc(OCC(O)CNC(C)C)cc1)CC1CC1	0.5314789170422551	Iwata	logCL
O(CC(O)CNCCc1cc(OC)c(OC)cc1)c1cc(C)ccc1	0.7403626894942439	Iwata	logCL
S(C=1[C@H](C)[C@@H]2[C@@H]([C@H](O)C)C(=O)N2C=1C(=O)[O-])C1C[n+]2n(cnc2)C1	0.3979400086720376	Iwata	logCL
O=C1[C@H](O)[C@]23[C@](O)(C(C)(C)C)C[C@@H]4OC(=O)C[C@]24C(=O)O[C@@H]3O1	1.0	Iwata	logCL
OC(CCN1CCCCC1)(c1ccccc1)C1C2C=CC(C1)C2	1.0791812460476249	Iwata	logCL
O(C(C)C)CCOCc1ccc(OCC(O)CNC(C)C)cc1	0.568201724066995	Iwata	logCL
Brc1sc2-n3c(C)nnc3CN=C(c3c(Cl)cccc3)c2c1	0.3010299956639812	Iwata	logCL
O=C(CO)[C@]12[C@]3(C)[C@H]([C@H]4[C@H]([C@@H](O)C3)[C@]3(C)C(=CC(=O)C=C3)CC4)C[C@H]1OC(CCC)O2	1.3010299956639813	Iwata	logCL
O=C(Nc1c(C)cccc1C)C1N(CCCC)CCCC1	0.6334684555795865	Iwata	logCL
O(C)[C@]12[C@@H]([C@](O)(C(C)(C)C)C)C[C@@]3([C@@H]4N(CC5CC5)CC[C@@]53[C@H]1Oc1c(O)ccc(c51)C4)CC2	1.2787536009528289	Iwata	logCL
S(=O)(=O)(OCCCCOS(=O)(=O)C)C	0.38021124171160603	Iwata	logCL
Oc1cc2c(cc1)C[C@@H]1N(CC3CCC3)CC[C@]32[C@@]1(O)CCCC3	1.6127838567197355	Iwata	logCL
O=C1N(C)C(=O)c2n(C)cnc2N1C	0.146128035678238	Iwata	logCL
O=C(O)[C@H](COCCOC)CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1	0.36172783601759284	Iwata	logCL
SC[C@H](C(=O)N1[C@H](C(=O)O)CCC1)C	1.0791812460476249	Iwata	logCL
ClCCN(N=O)C(=O)NCCCl	1.8920946026904804	Iwata	logCL
S(=O)(=O)(O)N1[C@H](COC(=O)N)[C@H](NC(=O)/C(=N\OCC(=O)O)/c2nc(N)sc2)C1=O	0.17609125905568124	Iwata	logCL
O=C(N[C@@H]1C(=O)N[C@@H]([C@H](O)C)C(=O)N2[C@H](C(=O)N[C@@H]([C@H](O)[C@@H](O)c3ccc(O)cc3)C(=O)N[C@@H]([C@H](O)CCN)C(=O)N3[C@@H]([C@@H](O)CC3)C(=O)N[C@H](NCCN)[C@H](O)C1)C[C@@H](O)C2)CCCCCCCCC(CC(CC)C)C	-0.8538719643217619	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1)c1n(C)nnn1	0.5563025007672873	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3nnnc3)[C@H]2SC1)c1sc(C)nn1	-0.05060999335508721	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]34CCC(C([O-])=N)(CC3)CC4)CS[C@H]12)/C(=N\OC)/c1nc(N)sn1	0.2304489213782739	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.3424226808222063	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C)CS[C@H]12)/C(=N\OCC(=O)O)/c1nc(N)sc1	0.0	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)/c3nc(N)sc3)[C@H]2SC1)c1n(C)nnn1	0.5622928644564748	Iwata	logCL
S(CC#N)CC(=O)N[C@]1(OC)C(=O)N2C(C(=O)O)=C(CSc3n(C)nnn3)CS[C@H]12	0.17609125905568124	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)/c3nc(N)sc3)[C@H]2SC1)c1sc(CC(=O)O)c(C)n1	-0.21467016498923297	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](NC(=O)N3C(=O)C(=O)N(CC)CC3)c3ccc(O)cc3)[C@H]2SC1)c1n(C)nnn1	0.11394335230683679	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3c(CN)cccc3)[C@H]2SC1)c1n(CC(=O)O)nnn1	-0.1804560644581313	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3n(CCO)c(N)cc3)CS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.24797326636180664	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)C)CS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.43136376415898736	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@](OC)(NC(=O)C3SC(=C(C(=O)O)C(=O)N)S3)[C@H]2SC1)c1n(C)nnn1	-0.37675070960209955	Iwata	logCL
O=C(OCC1=C(C(=O)O)N2C(=O)[C@@](OC)(NC(=O)Cc3sccc3)[C@H]2SC1)N	0.5563025007672873	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3c4[n+](nccc4)cc3)CS[C@H]12)/C(=N\OC)/c1nc(N)sn1	0.3222192947339193	Iwata	logCL
S(=O)(=O)(O)CCc1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](NC(=O)c4c(C(=O)O)[nH]cn4)c4ccccc4)[C@H]3SC2)cc1	0.2304489213782739	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](NC(=O)C=3C(=O)C=C(C)NC=3)c3ccc(O)cc3)[C@H]2SC1)c1n(C)nnn1	-0.3187587626244128	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3c4c(ccc3)CCC4)CS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.2787536009528289	Iwata	logCL
O(/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)/c1nc(N)sc1)C(C(=O)O)(C)C	0.38021124171160603	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.3222192947339193	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)/c3nc(N)sc3)[C@H]2SC1)C=1N(C)NC(=O)C(=O)N=1	-0.585026652029182	Iwata	logCL
O=C(OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)/c3occc3)[C@H]2SC1)N	0.3424226808222063	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)[C@H](N)c1ccccc1	0.5910646070264992	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)[C@H](N)C1=CCC=CC1	0.5185139398778874	Iwata	logCL
Fc1ccc(-c2c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(C(C)C)nc(C(C)C)c2COC)cc1	0.4623979978989561	Iwata	logCL
ClC1=CC2=C(N(O)C/C(=N/C)/N=C2C=C1)c1ccccc1	-0.431798275933005	Iwata	logCL
O=C(O)COC/C=C\1/C[C@@H]2[C@@H](C#C[C@@H](O)[C@H](CC#CCC)C)[C@H](O)C[C@@H]2C/1	0.5797835966168101	Iwata	logCL
P(=O)(O)(O)CO[C@H](CO)CN1C(=O)N=C(N)C=C1	0.3979400086720376	Iwata	logCL
Fc1c(N2CCNCC2)cc2N(C3CC3)C=C(C(=O)O)C(=O)c2c1	0.919078092376074	Iwata	logCL
Fc1ccc(C2(CCCN(C)C)OCc3c2ccc(C#N)c3)cc1	0.6334684555795865	Iwata	logCL
Clc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)C3)c2n1	1.146128035678238	Iwata	logCL
S(=O)(=O)(Nc1c(Oc2c(OC)cccc2)c(OCCO)nc(-c2cc(-c3n[nH]nn3)ncc2)n1)c1ncc(C)cc1	1.021189299069938	Iwata	logCL
Clc1c(Cl)cccc1C1C(C(=O)OCOC(=O)CCC)=C(C)NC(C)=C1C(=O)OC	2.1522883443830563	Iwata	logCL
Cl[C@H]([C@@H](NC(=O)[C@H]1N(C)C[C@H](CCC)C1)[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](SC)O1)C	0.6532125137753437	Iwata	logCL
Clc1cc2N(CCCN(C)C)c3c(cccc3)CCc2cc1	0.9138138523837167	Iwata	logCL
Clc1cc2NC(N3CCN(C)CC3)=C3C(=Nc2cc1)C=CC=C3	0.3979400086720376	Iwata	logCL
Clc1c(C2=NCC(=O)Nc3c2cc([N+](=O)[O-])cc3)cccc1	-0.05551732784983137	Iwata	logCL
O=C(OCC)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2N(C)[C@@H]1CC2	1.1139433523068367	Iwata	logCL
O=C(OC)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2N(C)[C@@H]1CC2	1.505149978319906	Iwata	logCL
O(C)c1c2O[C@H]3[C@@H](O)C=C[C@H]4[C@@H]5N(C)CC[C@]34c2c(cc1)C5	1.1760912590556813	Iwata	logCL
O=C(N[C@@H]1C=2C(c3c(OC)c(OC)c(OC)cc3CC1)=CC=C(OC)C(=O)C=2)C	0.3222192947339193	Iwata	logCL
ClCCN(CCCl)P1(=O)OCCCN1	0.04139268515822508	Iwata	logCL
O=C1N(C)[C@@H]([C@H](O)[C@@H](C/C=C/C)C)C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H]1C(C)C	0.8750612633917001	Iwata	logCL
O=C1N([C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(N)=N1	1.619823500457278	Iwata	logCL
N[C@H](Cc1ccccc1)C	0.9867717342662449	Iwata	logCL
S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1	-0.3187587626244128	Iwata	logCL
O=C(N)C([C@H]1CN(CCc2cc3c(OCC3)cc2)CC1)(c1ccccc1)c1ccccc1	1.0791812460476249	Iwata	logCL
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=NC(N)=N1	2.113943352306837	Iwata	logCL
O=C(O)c1ccc(N2C(=C3C(=O)C=CC=C3)NC(=C3C(=O)C=CC=C3)N2)cc1	-0.07572071393811836	Iwata	logCL
N(CCCN1c2c(cccc2)CCc2c1cccc2)C	1.0413926851582251	Iwata	logCL
Clc1cc2C(c3ccccc3)=NCC(=O)Nc2cc1	-0.9208187539523752	Iwata	logCL
F[C@]12[C@@H](O)C[C@]3(C)[C@@](O)(C(=O)CO)[C@H](C)C[C@H]3[C@@H]1CCC=1[C@]2(C)C=CC(=O)C=1	0.5185139398778874	Iwata	logCL
Clc1c(Cl)ccc(C(=O)N[C@@H](C(=O)N(CCCOC)CCCCC)CCC(=O)O)c1	0.568201724066995	Iwata	logCL
[C@H](C)(c1c(C)c(C)ccc1)c1[nH]cnc1	1.0413926851582251	Iwata	logCL
O=C1NC(=O)CN([C@H](CN2CC(=O)NC(=O)C2)C)C1	0.4913616938342727	Iwata	logCL
Clc1cc2C(c3ccccc3)=NCC(=O)N(C)c2cc1	-0.42021640338318983	Iwata	logCL
Clc1c(Nc2c(CC(=O)O)cccc2)c(Cl)ccc1	0.5440680443502757	Iwata	logCL
O=C1N=CNc2n([C@@H]3O[C@H](CO)CC3)cnc12	1.0413926851582251	Iwata	logCL
Fc1c(F)cc2c(nc3c(c2)CN2C(=O)C4=C([C@@](O)(CC)CC(=O)OC4)C=C32)c1	0.9253120914996495	Iwata	logCL
Fc1c(-c2cc(C(=O)O)c(O)cc2)ccc(F)c1	-1.0	Iwata	logCL
O([C@@H]1[C@@H](C)O[C@@H](O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4[C@H]([C@]5(O)[C@](C)([C@H](O)C4)[C@@H](C4=CC(=O)OC4)CC5)CC3)CC2)C[C@@H]1O)[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)C2)[C@@H](O)C1	0.2304489213782739	Iwata	logCL
O=C1N(C)C(=O)c2n(CC(O)CO)cnc2N1C	0.6812412373755872	Iwata	logCL
O=C(N)C(CCN(C(C)C)C(C)C)(c1ncccc1)c1ccccc1	-0.045757490560675115	Iwata	logCL
S(=O)(=O)(Nc1ccc(OCCN(CCc2ccc(NS(=O)(=O)C)cc2)C)cc1)C	0.7160033436347992	Iwata	logCL
O=C(OC1C[C@H]2N3C(C1)CC(C(=O)C3)C2)c1c2c([nH]c1)cccc2	2.255272505103306	Iwata	logCL
S(=O)(=O)(NC[C@H]1[NH2+]C[C@@H](SC=2[C@H](C)[C@@H]3[C@@H]([C@H](O)C)C(=O)N3C=2C(=O)[O-])C1)N	0.5132176000679389	Iwata	logCL
O=C(N1CCN(c2nc(N)c3c(n2)cc(OC)c(OC)c3)CC1)C1Oc2c(OC1)cccc2	0.2041199826559248	Iwata	logCL
O=C(CO)[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)C2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1	1.1760912590556813	Iwata	logCL
Fc1c(N2CC[NH2+]CC2)nc2N(CC)C=C(C(=O)[O-])C(=O)c2c1	0.7323937598229685	Iwata	logCL
O=C1N(CCC)c2nc[nH]c2C(=O)N1	0.6020599913279624	Iwata	logCL
O=[N+]([O-])c1c(O)c(O)cc(/C=C(/C(=O)N(CC)CC)\C#N)c1	1.0791812460476249	Iwata	logCL
O=C(CO)[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](N)C2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1	1.3010299956639813	Iwata	logCL
O=C(O)CCCOC/C=C\1/C[C@@H]2[C@@H](C#C[C@@H](O)[C@H](CC#CCC)C)[C@H](O)C[C@@H]2C/1	1.8208579894397	Iwata	logCL
P(=O)(O[C@H]1[C@H](OCC[C@H](OC)CCCCCCC)[C@@H](NC(=O)CCCCCCCCC/C=C\CCCCCC)[C@H](OC[C@@H]2[C@@H](O)[C@H](OCCCCCCCCCC)[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OP(=O)(O)O)O2)O[C@@H]1COC)(O)O	-2.0	Iwata	logCL
S([C@H]1C[C@@H](C(=O)Nc2cc(C(=O)O)ccc2)NC1)C=1[C@H](C)[C@@H]2[C@@H]([C@H](O)C)C(=O)N2C=1C(=O)O	-0.3467874862246563	Iwata	logCL
O([C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]1(O)C)[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1	0.7481880270062004	Iwata	logCL
O=C(OC)CCc1ccc(OCC(O)CNC(C)C)cc1	2.462397997898956	Iwata	logCL
O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@@H](c4c(cc(O)cc4)CC3)CC2)CC1	1.4771212547196624	Iwata	logCL
ClCCN(C(=O)Oc1cc2c([C@@H]3[C@H]([C@H]4[C@@](C)([C@@H](OP(=O)(O)O)CC4)CC3)CC2)cc1)CCCl	-0.026872146400301365	Iwata	logCL
OC[C@@H](NCCN[C@H](CO)CC)CC	1.0	Iwata	logCL
Oc1cc2c([C@@H]3[C@H]([C@H]4[C@@](C)([C@](O)(C#C)CC4)CC3)CC2)cc1	0.8450980400142568	Iwata	logCL
S(=O)(=O)(O[C@]1(C#C)[C@]2(C)[C@H]([C@H]3[C@@H](c4c(cc(O)cc4)CC3)CC2)CC1)O	0.11394335230683679	Iwata	logCL
S(=O)(=O)(Oc1cc2c([C@@H]3[C@H]([C@H]4[C@@](C)([C@](O)(C#C)CC4)CC3)CC2)cc1)O	0.6720978579357175	Iwata	logCL
O=C(OCC)c1n(C(C)c2ccccc2)cnc1	1.1139433523068367	Iwata	logCL
O([C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@H](C)OC[C@H]2O1)[C@H]1[C@@H]2[C@@H]([C@H](c3cc(OC)c(O)c(OC)c3)c3c1cc1OCOc1c3)C(=O)OC2	-0.3010299956639812	Iwata	logCL
S(=O)(=O)(N=C(N)CCSCc1nc(N=C(N)N)sc1)N	0.8195439355418687	Iwata	logCL
Clc1c(Cl)cccc1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OC	1.0413926851582251	Iwata	logCL
OC(CNC(Cc1ccc(O)cc1)C)c1cc(O)cc(O)c1	1.462397997898956	Iwata	logCL
S(C)c1ccc(C(=O)C2=C(C)NC(=O)N2)cc1	1.462397997898956	Iwata	logCL
O=C(N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)CC	0.6720978579357175	Iwata	logCL
O=C(NC(C)(C)C)[C@@H]1[C@]2(C)[C@H]([C@H]3[C@@H]([C@]4(C)[C@H](NC(=O)C=C4)CC3)CC2)CC1	0.38021124171160603	Iwata	logCL
FC(F)(F)COc1c(C(=O)NCC2NCCCC2)cc(OCC(F)(F)F)cc1	0.6901960800285137	Iwata	logCL
FCCN1c2c(F)c(N3CCN(C)CC3)c(F)cc2C(=O)C(C(=O)O)=C1	0.38021124171160603	Iwata	logCL
Fc1c(C(O)(Cn2ncnc2)Cn2ncnc2)ccc(F)c1	-0.5086383061657274	Iwata	logCL
FC1=C(N)NC(=O)N=C1	0.3010299956639812	Iwata	logCL
Fc1cc2C(=O)N(C)Cc3c(C(=O)OCC)ncn3-c2cc1	1.2041199826559248	Iwata	logCL
Fc1c(C2=NCC(=O)N(C)c3c2cc([N+](=O)[O-])cc3)cccc1	0.146128035678238	Iwata	logCL
FC(F)(F)c1cc2N(CCCN3CCN(CCO)CC3)c3c(Sc2cc1)cccc3	0.9867717342662449	Iwata	logCL
P(=O)(O)(O)C(=O)O	0.3222192947339193	Iwata	logCL
P(=O)(O)(O)[C@@H]1[C@H](C)O1	0.3010299956639812	Iwata	logCL
Clc1c(S(=O)(=O)N)cc(C(=O)O)c(NCc2occc2)c1	0.2041199826559248	Iwata	logCL
O=C(O)CC1(CN)CCCCC1	0.2304489213782739	Iwata	logCL
O(C)c1c2O[C@@H]3[C@]4(c2c(cc1)CN(C)CC4)C=C[C@H](O)C3	0.7481880270062004	Iwata	logCL
FC(F)Oc1c(-c2cc3c([C@@H](C)NC3)cc2)ccc2C(=O)C(C(=O)O)=CN(C3CC3)c12	0.08990511143939793	Iwata	logCL
Fc1c(N2CC(C)[NH2+]CC2)c(OC)c2N(C3CC3)C=C(C(=O)[O-])C(=O)c2c1	0.4471580313422192	Iwata	logCL
Clc1c2c(/C=C/C(=O)Nc3ccccc3)c(C(=O)[O-])[nH]c2cc(Cl)c1	-1.0457574905606752	Iwata	logCL
FC1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C(=O)N=C(N)C=C1	1.505149978319906	Iwata	logCL
O(C1C(O)C(OC2C(O)C(NC)C(O)(C)CO2)C(N)CC1N)C1C(N)CCC(C(NC)C)O1	0.0	Iwata	logCL
O=C1[C@@H](C)[C@@]2(O)[C@@H](O1)C[C@]13[C@@H]4OC(=O)[C@]21O[C@@H]1OC(=O)[C@H](O)[C@]31[C@H](C(C)(C)C)C4	0.36172783601759284	Iwata	logCL
O=C1[C@@H](C)[C@@]2(O)[C@H]([C@H](O)[C@]34[C@@H]5OC(=O)[C@]23O[C@@H]2OC(=O)[C@H](O)[C@]42[C@H](C(C)(C)C)C5)O1	0.36172783601759284	Iwata	logCL
S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2ncc(C)nc2)cc1	-0.25181197299379954	Iwata	logCL
O=C(NC1C[C@@H]2N(C)C(C1)CCC2)c1nn(C)c2c1cccc2	0.9590413923210935	Iwata	logCL
Clc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1	0.8920946026904804	Iwata	logCL
O=C1N(C)C(=O)NC(=O)C1(C)C1=CCCCC1	0.5314789170422551	Iwata	logCL
N(N)c1nncc2c1cccc2	1.9294189257142926	Iwata	logCL
O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@H]([C@H](N(C)CC3)C4)CC1	1.4471580313422192	Iwata	logCL
Clc1cc2nccc(NC(CCCN(CCO)CC)C)c2cc1	1.0413926851582251	Iwata	logCL
O=C(O)C(C)c1ccc(CC(C)C)cc1	-0.08618614761628333	Iwata	logCL
O=C(C)[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)C2)c2c(O)c3C(=O)c4c(C(=O)c3c(O)c2C1)cccc4	1.380211241711606	Iwata	logCL
C1(C2Oc3c(OC2)cccc3)=NCCN1	1.0	Iwata	logCL
O=C(O)CCc1c(C[C@@H]2[C@H](c3occ(C(=O)NCCCCC)n3)C3OC2CC3)cccc1	0.8061799739838872	Iwata	logCL
O=C(O)CCC/C=C\1/C[C@@H]2[C@@H](/C=C/[C@@H](O)C(CC#CC)C)[C@H](O)C[C@@H]2C/1	1.2041199826559248	Iwata	logCL
O=C(Nc1cc(Nc2nc(-c3cnccc3)ccn2)c(C)cc1)c1ccc(CN2CCN(C)CC2)cc1	0.5185139398778874	Iwata	logCL
S(CC/N=C/N)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)C)[C@H]2C1	0.47712125471966244	Iwata	logCL
N(CCCN1c2c(cccc2)CCc2c1cccc2)(C)C	1.1139433523068367	Iwata	logCL
O=C(N[C@@H]1[C@H](O)Cc2c1cccc2)[C@@H](C[C@H](O)CN1[C@H](C(=O)NC(C)(C)C)CN(Cc2cnccc2)CC1)Cc1ccccc1	1.255272505103306	Iwata	logCL
O=C(O)CN[C@@H](C(=O)N1[C@H](C(=O)NCCCN=C(N)N)CCCC1)CC1CCCCC1	0.785329835010767	Iwata	logCL
I[C@@H]1[C@H](C)O[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](O)(C(=O)CO)C2)C[C@@H]1N	2.146128035678238	Iwata	logCL
Ic1c(N(C(=O)C)CC(O)CO)c(I)c(C(=O)NCC(O)CO)c(I)c1C(=O)NCC(O)CO	0.3010299956639812	Iwata	logCL
Ic1c(N(C(=O)CO)C)c(I)c(C(=O)NCC(O)CO)c(I)c1C(=O)NCC(O)CO	0.146128035678238	Iwata	logCL
Ic1c(NC(=O)[C@@H](O)C)c(I)c(C(=O)NC(CO)CO)c(I)c1C(=O)NC(CO)CO	0.2787536009528289	Iwata	logCL
Ic1c(NC(=O)COC)c(I)c(C(=O)NCC(O)CO)c(I)c1C(=O)N(CC(O)CO)C	0.146128035678238	Iwata	logCL
O=C(OC1CC2[N+](C(C)C)(C)C(C1)CC2)C(CO)c1ccccc1	1.4969296480732148	Iwata	logCL
O=C(Oc1cc2c(CC)c3c(nc2cc1)C=1N(C(=O)C2=C([C@@](O)(CC)C(=O)OC2)C=1)C3)N1CCC(N2CCCCC2)CC1	0.8450980400142568	Iwata	logCL
O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](C(=O)O)O2)[C@@H](O[C@@H]2C(C)(C)[C@H]3[C@@](C)([C@H]4C(=O)C=C5[C@](C)([C@]4(C)CC3)CC[C@]3(C)[C@H]5C[C@](C(=O)O)(C)CC3)CC2)O1	-1.3010299956639813	Iwata	logCL
O=[N+](O[C@H]1[C@H]2OC[C@H](O[N+](=O)[O-])[C@H]2OC1)[O-]	1.4913616938342726	Iwata	logCL
O=[N+](O[C@H]1[C@H]2OC[C@H](O)[C@H]2OC1)[O-]	0.3010299956639812	Iwata	logCL
Clc1c([C@]2(Cn3ncnc3)O[C@@H](COc3ccc(N4CCN(c5ccc(N6C(=O)N(C(CC)C)N=C6)cc5)CC4)cc3)CO2)ccc(Cl)c1	0.7075701760979364	Iwata	logCL
Clc1c(C2(NC)C(=O)CCCC2)cccc1	1.2787536009528289	Iwata	logCL
Fc1ccc(C(=O)C2CCN(CCN3C(=O)Nc4c(C3=O)cccc4)CC2)cc1	0.8260748027008264	Iwata	logCL
O=C(O)C(C)c1cc(C(=O)c2ccccc2)ccc1	0.2041199826559248	Iwata	logCL
O=C(c1n2c(C(C(=O)O)CC2)cc1)c1ccccc1	-0.4559319556497244	Iwata	logCL
O=C(N[C@H]1C(=O)N(Cc2ccc(-c3c(-c4n[nH]nn4)cccc3)cc2)c2c(cccc2)CC1)CC(N)(C)C	0.48429983934678583	Iwata	logCL
O([C@H](C(C[C@@H](N(C)C)C)(c1ccccc1)c1ccccc1)CC)C(=O)C	0.7323937598229685	Iwata	logCL
O=C(O)COC1CCN(C(=O)[C@@H](NC(=O)c2ccc(C(=N)N)cc2)Cc2ccc(O)cc2)CC1	0.2787536009528289	Iwata	logCL
O=C1N([C@H]2O[C@@H](CO)SC2)C=CC(N)=N1	0.6812412373755872	Iwata	logCL
O[C@@H]1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@](O)([C@H](N(CC2CCC2)CC3)C4)CC1	1.3424226808222062	Iwata	logCL
N#Cc1ccc(C(n2ncnc2)c2ccc(C#N)cc2)cc1	-0.24412514432750865	Iwata	logCL
Fc1ccc(C2(C#N)CCC(N3C[C@@H](C)[C@@](C(=O)O)(c4ccccc4)CC3)CC2)cc1	-0.36653154442041347	Iwata	logCL
O=C(O)[C@@H](N)Cc1cc(O)c(O)cc1	1.3617278360175928	Iwata	logCL
O=C1C=C2[C@@H]([C@@H]3[C@H]([C@H]4[C@@](CC)([C@](O)(C#C)CC4)CC3)CC2)CC1	0.25527250510330607	Iwata	logCL
O=C1NN=C([C@H](C)C1)c1ccc(NN=C(C#N)C#N)cc1	0.5797835966168101	Iwata	logCL
O=C(Nc1c(C)cccc1C)CN(CC)CC	1.2041199826559248	Iwata	logCL
Clc1ccc(N(C(=O)Cc2ccccc2)C2CCN(C(C)C)CC2)cc1	1.2041199826559248	Iwata	logCL
O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@](O)([C@H](N(CC2CC2)CC3)C4)CC1	1.7558748556724915	Iwata	logCL
Fc1c(F)ccc(OC[C@@H](O)CN2CCC(N(C)c3sc4c(n3)cccc4)CC2)c1	0.2304489213782739	Iwata	logCL
FC1(F)CCC(C(=O)N[C@@H](CCN2[C@H]3CC(n4c(C(C)C)nnc4C)C[C@@H]2CC3)c2ccccc2)CC1	0.9731278535996987	Iwata	logCL
Clc1cc(c(OC)cc1)[C@]1(F)C(=O)Nc2c1ccc(C(F)(F)F)c2	1.1760912590556813	Iwata	logCL
O=C(N1CCCCC1)c1cc(CN2CCN(c3c(OC(C)C)cccc3)CC2)ccc1	0.7902851640332417	Iwata	logCL
O=C(OC)Nc1[nH]c2c(n1)ccc(C(=O)c1ccccc1)c2	1.1760912590556813	Iwata	logCL
O=C(O)CN[C@@H](C(=O)N1[C@H](C(=O)NCc2ccc(C(=N)N)cc2)CC1)C1CCCCC1	0.2787536009528289	Iwata	logCL
O=C(Nc1sc(C)cn1)C=1N(C)S(=O)(=O)c2c(C=1O)cccc2	-0.9208187539523752	Iwata	logCL
O=C(CO)[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](N)C3)[C@@H](O)C2)c2c(O)c3C(=O)c4c(C(=O)c3c(O)c2C1)cccc4	0.3979400086720376	Iwata	logCL
O=C(OCC)C1(c2ccccc2)CCN(C)CC1	0.6901960800285137	Iwata	logCL
Oc1cc(C2(CC)CN(C)CCCC2)ccc1	1.4471580313422192	Iwata	logCL
S([C@H]1C[C@@H](C(=O)N(C)C)[NH2+]C1)C=1[C@H](C)[C@@H]2[C@@H]([C@H](O)C)C(=O)N2C=1C(=O)[O-]	0.5910646070264992	Iwata	logCL
O=C(C(OC)C)N1CCN(c2nc(N)c3c(n2)cc(OC)c(OC)c3)CC1	-0.27572413039921095	Iwata	logCL
N(C(N(C)C)=N)=C(N)N	0.8692317197309762	Iwata	logCL
O=C(C(CC(N(C)C)C)(c1ccccc1)c1ccccc1)CC	0.2304489213782739	Iwata	logCL
N([C@H](Cc1ccccc1)C)C	0.6434526764861874	Iwata	logCL
O=C(O)[C@@H](NC(=O)c1ccc(N(Cc2nc3c(N)nc(N)nc3nc2)C)cc1)CCC(=O)O	0.3222192947339193	Iwata	logCL
O=C(OC)C(c1ccccc1)C1NCCCC1	-0.2596373105057561	Iwata	logCL
O=C(CO)[C@]1(O)[C@]2(C)[C@H]([C@H]3[C@H]([C@@H](O)C2)[C@]2(C)C([C@@H](C)C3)=CC(=O)C=C2)CC1	0.785329835010767	Iwata	logCL
Clc1c(N)cc(OC)c(C(=O)NCCN(CC)CC)c1	0.7558748556724915	Iwata	logCL
O(CCc1ccc(OCC(O)CNC(C)C)cc1)C	1.1139433523068367	Iwata	logCL
O=[N+]([O-])c1n(CCO)c(C)nc1	-0.07058107428570728	Iwata	logCL
S(=O)(=O)(C)N1C(=O)N(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)CC1	0.3222192947339193	Iwata	logCL
Fc1cc2c([C@H](C(C)C)[C@@](OC(=O)COC)(CCN(CCCc3[nH]c4c(n3)cccc4)C)CC2)cc1	0.6020599913279624	Iwata	logCL
S(=O)(=O)(Oc1c(O)ccc([C@H](O)[C@@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(=O)N)C(=O)N3[C@@H]([C@@H](O)[C@@H](C)C3)C(=O)N[C@H](O)[C@H](O)C[C@H](NC(=O)c3ccc(-c4noc(-c5ccc(OCCCCC)cc5)c4)cc3)C(=O)N[C@@H]([C@H](O)C)C(=O)N3[C@H](C(=O)N2)C[C@@H](O)C3)c1)O	-0.769551078621726	Iwata	logCL
Clc1cc2C(c3c(F)cccc3)=NCc3n(c(C)nc3)-c2cc1	0.724275869600789	Iwata	logCL
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c12	0.8976270912904415	Iwata	logCL
O=C(OCCC[N+]1(C)[C@H](Cc2cc(OC)c(OC)c(OC)c2)c2c(cc(OC)c(OC)c2)CC1)CC/C=C/CCC(=O)OCCC[N+]1(C)[C@H](Cc2cc(OC)c(OC)c(OC)c2)c2c(cc(OC)c(OC)c2)CC1	0.7160033436347992	Iwata	logCL
O[C@@H]1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@H]([C@H](N(C)CC3)C4)C=C1	1.414973347970818	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@](OC)(NC(=O)C(C(=O)O)c3ccc(O)cc3)[C@H]2OC1)c1n(C)nnn1	-0.14266750356873156	Iwata	logCL
Fc1c(N2C[C@H]3NCCC[C@H]3C2)c(OC)c2N(C3CC3)C=C(C(=O)O)C(=O)c2c1	0.38021124171160603	Iwata	logCL
Clc1c(NC2=NCCN2)c(OC)nc(C)n1	1.0413926851582251	Iwata	logCL
Fc1cc2c(OC(C(O)CNCC(O)C3Oc4c(cc(F)cc4)CC3)CC2)cc1	1.146128035678238	Iwata	logCL
Clc1cc(N2CCN(CCCN3C(=O)N(CCOc4ccccc4)C(CC)=N3)CC2)ccc1	0.8750612633917001	Iwata	logCL
O(C)c1nc(N)nc2n([C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O3)cnc12	1.9084850188786497	Iwata	logCL
O([C@@H]1[C@@H](O)[C@H](OC2C(N)CC=C(CN)O2)[C@@H](N)C[C@H]1NCC)[C@@H]1[C@H](O)[C@@H](NC)[C@](O)(C)CO1	-0.2596373105057561	Iwata	logCL
O=[N+]([O-])c1cc(C2C(C(=O)OCCN(Cc3ccccc3)C)=C(C)NC(C)=C2C(=O)OC)ccc1	1.0413926851582251	Iwata	logCL
CN1[C@H](c2cnccc2)CCC1	1.255272505103306	Iwata	logCL
O=[N+]([O-])c1c(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cccc1	0.8633228601204559	Iwata	logCL
O=[N+]([O-])c1cc(C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OCCOC)ccc1	1.1760912590556813	Iwata	logCL
O=[N+]([O-])c1c(C2C(C(=O)OCC(C)C)=C(C)NC(C)=C2C(=O)OC)cccc1	1.1760912590556813	Iwata	logCL
O=[N+]([O-])c1oc(/C=N/N2C(=O)NC(=O)C2)cc1	0.9867717342662449	Iwata	logCL
Fc1c(N2CC[NH+](C)CC2)c2OCC(C)N3c2c(C(=O)C(C(=O)[O-])=C3)c1	0.3979400086720376	Iwata	logCL
O=C1C2(OC2)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C(OC2OC(C)C(O)C(OC)C2)C(C)C(=O)OC(C)C(C)C(O)C1C	0.9590413923210935	Iwata	logCL
[SH0](=O)(Cc1c(C)c(OC)c(C)cn1)c1[nH]c2c(n1)ccc(OC)c2	0.9242792860618817	Iwata	logCL
O=C(N[C@H]1[C@H](OC(CC)CC)C=C(C(=O)[O-])C[C@@H]1[NH3+])C	0.6812412373755872	Iwata	logCL
Clc1cc2C(c3ccccc3)=NC(O)C(=O)Nc2cc1	0.04139268515822508	Iwata	logCL
O(C)c1c2O[C@H]3C(=O)CC[C@@]4(O)[C@@H]5N(C)CC[C@]34c2c(cc1)C5	0.785329835010767	Iwata	logCL
O=C(N)C=1C(=O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@@H]3[C@@](O)(C)c4c(c(O)ccc4)C(O)=C3C(=O)[C@]2(O)C=1O	0.3010299956639812	Iwata	logCL
O=C(O[C@@H]1C(C)=C2[C@@H](OC(=O)C)C(=O)[C@]3(C)[C@@H](O)C[C@@H]4[C@](OC(=O)C)([C@H]3[C@H](OC(=O)c3ccccc3)[C@@](O)(C2(C)C)C1)CO4)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1	0.8061799739838872	Iwata	logCL
P(=O)(O)(O)C(P(=O)(O)[O-])(O)CC[NH3+]	0.3979400086720376	Iwata	logCL
S([C@@H]1C/[N+](=C(/N)\C)/CC1)C1=C(C(=O)[O-])N2C(=O)[C@H]([C@H](O)C)[C@H]2C1	0.414973347970818	Iwata	logCL
[SH0](=O)(Cc1c(OC)c(OC)ccn1)c1[nH]c2c(n1)ccc(OC(F)F)c2	0.3424226808222063	Iwata	logCL
O(C)c1c(OC)ccc(Cc2nccc3c2cc(OC)c(OC)c3)c1	1.0413926851582251	Iwata	logCL
Fc1c(N2CCN(C)CC2)cc2N(CC)C=C(C(=O)O)C(=O)c2c1	0.3010299956639812	Iwata	logCL
O(CCCCCOc1ccc(C(=N)N)cc1)c1ccc(C(=N)N)cc1	1.8692317197309762	Iwata	logCL
Oc1cc2C3(C)[C@@H](C)[C@H](N(CC=C(C)C)CC3)Cc2cc1	1.3617278360175928	Iwata	logCL
O=C1C(C(CCC)C)(CC)C(=O)NC(=O)N1	-0.3279021420642826	Iwata	logCL
O=C(CCCCN1C(=O)N(C)c2ncn(C)c2C1=O)C	1.591064607026499	Iwata	logCL
O=C(Nc1ccc(OCC)cc1)C	1.3222192947339193	Iwata	logCL
N1(C2(c3ccccc3)CCCCC2)CCCCC1	0.7075701760979364	Iwata	logCL
O=C1C(CC)(c2ccccc2)C(=O)NC(=O)N1	-1.2218487496163564	Iwata	logCL
O(C)c1ccc(-c2[nH]c3c(n2)ccc(C=2C(C)CC(=O)NN=2)c3)cc1	1.146128035678238	Iwata	logCL
O(CC(O)CNC(C)C)c1c2c([nH]cc2)ccc1	0.8864907251724818	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)[C@H](NC(=O)N1C(=O)C(=O)N(CC)CC1)c1ccccc1	0.6020599913279624	Iwata	logCL
OC(CCCN1[C@@H](C)CCC[C@H]1C)(c1ncccc1)c1ccccc1	0.25527250510330607	Iwata	logCL
O=C(O[C@@H]1[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H](C)C=CC2=C[C@@H](O)C1)[C@H](CC)C	1.146128035678238	Iwata	logCL
O=C(N1CCN(c2nc(N)c3c(n2)cc(OC)c(OC)c3)CC1)c1occc1	0.6720978579357175	Iwata	logCL
O=C(CO)[C@]1(O)[C@]2(C)[C@H]([C@H]3[C@H]([C@@H](O)C2)[C@]2(C)C(=CC(=O)C=C2)CC3)CC1	0.4623979978989561	Iwata	logCL
O=C(CO)[C@]1(O)[C@]2(C)[C@H]([C@H]3[C@@H]([C@]4(C)C(=CC(=O)C=C4)CC3)C(=O)C2)CC1	0.3979400086720376	Iwata	logCL
S(=O)(=O)(N(CCC)CCC)c1ccc(C(=O)O)cc1	-0.6020599913279624	Iwata	logCL
O=C(NCCN(CC)CC)c1ccc(N)cc1	1.0	Iwata	logCL
O=C(CCc1ccccc1)c1c(OCC(O)CNCCC)cccc1	1.2041199826559248	Iwata	logCL
Oc1c(C(C)C)cccc1C(C)C	1.5563025007672873	Iwata	logCL
O(CC(O)CNC(C)C)c1c2c(ccc1)cccc2	1.0791812460476249	Iwata	logCL
S(=O)(=O)(N[C@H](C(=O)N(CC(=O)O)C1CC1)CC(=O)NC[C@H]1CN(C(=N)N)CCC1)c1cc2c(cc1)cccc2	0.8061799739838872	Iwata	logCL
O=C1C(O)=C(c2cc(O)c(O)cc2)Oc2c1c(O)cc(O)c2	1.0413926851582251	Iwata	logCL
O(C)c1cc2c([C@H](O)[C@@H]3N4C[C@H](C=C)[C@H](C3)CC4)ccnc2cc1	0.6020599913279624	Iwata	logCL
O(C)c1cc2c(C(O)C3N4CC(C=C)[C@H](C3)CC4)ccnc2cc1	0.2787536009528289	Iwata	logCL
[SH0](=O)(Cc1c(C)c(OCCCOC)ccn1)c1[nH]c2c(n1)cccc2	0.6020599913279624	Iwata	logCL
S(CCN/C(/NC)=C/[N+](=O)[O-])Cc1oc(CN(C)C)cc1	0.9822712330395684	Iwata	logCL
Oc1c(O)ccc2c1-c1c3[C@H](N(C)CCc3ccc1)C2	1.6020599913279623	Iwata	logCL
O=C(NCCCNC(C)C)Nc1c(C)cccc1C	0.6532125137753437	Iwata	logCL
O=C(OC)CCN1CCC(N(C(=O)CC)c2ccccc2)(C(=O)OC)CC1	1.568201724066995	Iwata	logCL
S(=O)(=O)(C(C)(C)C)C[C@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](O)[C@@H](O)C1CC1)CC1CCCCC1)Cc1[nH]cnc1)Cc1ccccc1	1.0644579892269184	Iwata	logCL
Brc1c(OC)c(C(=O)NC[C@H]2N(CC)CCC2)c(OC)cc1	0.2304489213782739	Iwata	logCL
O=S1(=O)N(CCCCNC[C@@H]2Oc3c(cccc3)CC2)C(=O)c2c1cccc2	0.3424226808222063	Iwata	logCL
O=C(N)c1nn([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)cn1	0.7160033436347992	Iwata	logCL
FC(F)(F)c1cc(/C(=N\OCCCCC(=O)O)/c2cnccc2)ccc1	0.021189299069938092	Iwata	logCL
Fc1cc2onc(C3CCN(CCC=4C(=O)N5C(=NC=4C)CCCC5)CC3)c2cc1	0.7323937598229685	Iwata	logCL
Fc1ccc(C(c2ccc(F)cc2)=C2CCN(CCC=3C(=O)N4C(SC=C4)=NC=3C)CC2)cc1	-0.2924298239020636	Iwata	logCL
O=C(OCC1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)C)[C@H]2S1)N	0.8779469516291882	Iwata	logCL
N(CCc1c2c([nH]c1)ccc(Cn1ncnc1)c2)(C)C	1.2041199826559248	Iwata	logCL
FC(F)(F)CN1C(=O)/C(=C/C2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\O)/c4nc(N)sc4)[C@H]3SC2)/CC1	-0.42021640338318983	Iwata	logCL
O=C1C(C(C)C)NC(=O)/C(=C/C)/NC(=O)[C@@H]2NC(=O)C(C(C)C)NC(=O)C[C@H](O1)/C=C\CCSSC2	0.8692317197309762	Iwata	logCL
O=C(Nc1c(C)cccc1C)[C@H]1N(CCC)CCCC1	0.7403626894942439	Iwata	logCL
O=C(N(C)c1ccccc1)C=1C(=O)N(C)c2c(C=1O)cccc2	-1.0969100130080565	Iwata	logCL
O(CCN(C)c1ncccc1)c1ccc(CC2C(=O)NC(=O)S2)cc1	-0.18708664335714442	Iwata	logCL
Fc1ccc(OCC(O)CN2CCC(N(C)c3sc4c(n3)cccc4)CC2)cc1	0.6074550232146685	Iwata	logCL
O=C(N[C@H]([C@H](O)CN1[C@H](C(=O)NC(C)(C)C)C[C@H]2[C@@H](C1)CCCC2)Cc1ccccc1)[C@@H](NC(=O)c1nc2c(cc1)cccc2)CC(=O)N	1.1139433523068367	Iwata	logCL
ClCCN(N=O)C(=O)NC(C(=O)N)C	0.9542425094393249	Iwata	logCL
S(CCOC(=O)N)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)C)[C@H]2S1	0.8750612633917001	Iwata	logCL
N([C@@H](Cc1ccccc1)C)(CC#C)C	1.3010299956639813	Iwata	logCL
S(=O)(=O)(Nc1ccc(C(=O)NCCN(CC)CC)cc1)C	0.568201724066995	Iwata	logCL
O=C1/C(=C\c2c(C)cc(C)[nH]2)/c2c(N1)cccc2	1.146128035678238	Iwata	logCL
S(=O)(=O)(N1CCN(C)CC1)c1cc(c(OCC)cc1)C1=NC(=O)c2n(C)nc(CCC)c2N1	0.9590413923210935	Iwata	logCL
O=[N+](OCCN1C(=O)c2c(OC1)cccc2)[O-]	1.471144965160633	Iwata	logCL
FC(F)(F)c1n2c(nn1)CN(C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1)CC2	0.7781512503836436	Iwata	logCL
S(=O)(=O)(Nc1ccc(C(O)CNC(C)C)cc1)C	0.3010299956639812	Iwata	logCL
Fc1c(N2C[C@@H](C)N[C@@H](C)C2)c(F)c2N(C3CC3)C=C(C(=O)O)C(=O)c2c1N	0.43136376415898736	Iwata	logCL
P(=O)(O)(O)CC(=O)N[C@H](C(=O)O)CC(=O)O	0.08635983067474821	Iwata	logCL
O=C1N([C@@H]2O[C@H](CO)C=C2)C=C(C)C(=O)N1	0.9138138523837167	Iwata	logCL
O=C(O)[C@H]1C(C)(C)S(=O)(=O)[C@H]2N1C(=O)C2	0.7075701760979364	Iwata	logCL
S(=O)(=O)(Nc1ncccn1)c1ccc(N)cc1	-0.2596373105057561	Iwata	logCL
[SH0](=O)(CCC1C(=O)N(N(c2ccccc2)C1=O)c1ccccc1)c1ccccc1	-0.46852108295774486	Iwata	logCL
S(=O)(=O)(Nc1c(C)c(C)no1)c1ccc(N)cc1	-0.5228787452803376	Iwata	logCL
S(=O)(=O)(NC)Cc1cc2c(CCN(C)C)c[nH]c2cc1	1.2787536009528289	Iwata	logCL
[S+](=O)(O)(O)c1c2c(NC(=O)c3cc(NC(=O)c4cc(NC(=O)Nc5cc(C(=O)Nc6c(C)ccc(C(=O)Nc7c8c([S+](=O)(O)O)cc(S(=O)(=O)O)cc8c(S(=O)(=O)[O-])cc7)c6)ccc5)ccc4)c(C)cc3)ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)O)c1	-2.0	Iwata	logCL
S(=O)(=O)(Nc1c(C)cccn1)c1ccc(C#Cc2cc(C(=O)O)c(O)cc2)cc1	-1.154901959985743	Iwata	logCL
O(C)[C@H]1[C@H](O)CC[C@@H](/C=C(\C)/[C@@H]2[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)/C=C(\C)/C[C@H](C)C[C@H](OC)[C@@H]3[C@@H](OC)C[C@@H](C)[C@](O)(C(=O)C(=O)N4[C@H](C(=O)O2)CCCC4)O3)C1	-0.1549019599857432	Iwata	logCL
O=C(Nc1ccc(OCC(O)CNC(C)(C)C)cc1)NC1CCCCC1	0.6901960800285137	Iwata	logCL
S(=O)(=O)(N)c1c(OC)ccc(C[C@H](NCCOc2c(OCC)cccc2)C)c1	-0.20760831050174613	Iwata	logCL
O=C(CCCC#C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	0.9493900066449128	Iwata	logCL
O([C@@H]1[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]2(C)OC(=O)N(CCCCn3cc(-c4cnccc4)nc3)[C@@H]2[C@@H](C)C(=O)[C@H](C)C[C@@]1(OC)C)[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1	1.146128035678238	Iwata	logCL
O=C(N)c1ncn2C(=O)N(C)N=Nc12	0.5563025007672873	Iwata	logCL
P(=O)(O)(O)CO[C@@H](Cn1c2ncnc(N)c2nc1)C	0.4913616938342727	Iwata	logCL
O=C(Nc1ncccc1)C=1N(C)S(=O)(=O)c2c(C=1O)scc2	-1.5228787452803376	Iwata	logCL
O=C(N1CCN(c2nc(N)c3c(n2)cc(OC)c(OC)c3)CC1)C1OCCC1	0.04139268515822508	Iwata	logCL
OC(CNC(C)(C)C)c1cc(O)cc(O)c1	0.5314789170422551	Iwata	logCL
N(C(C)(C)C)C(CC(c1ccccc1)c1ccccc1)C	0.04139268515822508	Iwata	logCL
O=C(N)C=1C(=O)[C@@H](N(C)C)[C@H]2[C@@](O)(C=1O)C(=O)C1=C(O)c3c(O)cccc3[C@](O)(C)[C@H]1C2	0.17609125905568124	Iwata	logCL
S(=O)(=O)(Nc1c(Oc2c(OC)cccc2)c(OCCO)nc(-c2cc(-c3n[nH]nn3)ncc2)n1)c1ncc(C(C)C)cc1	0.9084850188786497	Iwata	logCL
O=C1N(C)C(=O)c2[nH]cnc2N1C	-0.06550154875643228	Iwata	logCL
O=C([O-])[C@H]1C[NH+](CCC=C(c2c(C)ccs2)c2c(C)ccs2)CCC1	0.2041199826559248	Iwata	logCL
O=C(N)c1nc([C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)sc1	0.38021124171160603	Iwata	logCL
O=C(O)[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1cscc1	0.25527250510330607	Iwata	logCL
S(=O)(=O)(CCn1c(C)ncc1[N+](=O)[O-])CC	-0.2218487496163564	Iwata	logCL
S(=O)(=O)(N[C@H](C(=O)[O-])Cc1ccc(OCCCCC2CC[NH2+]CC2)cc1)CCCC	0.6334684555795865	Iwata	logCL
O([C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](O)[C@@H](CN)O2)[C@@H](N)C[C@H]1N)[C@@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](CO)O1	0.2041199826559248	Iwata	logCL
O=C(Nc1c(C)cccc1C)C(N)C	0.3424226808222063	Iwata	logCL
S(=O)(=O)(NC(=O)NCCCC)c1ccc(C)cc1	-0.6777807052660807	Iwata	logCL
O=[N+]([O-])c1c(O)c(O)cc(C(=O)c2ccc(C)cc2)c1	0.2787536009528289	Iwata	logCL
S([C@@H]1CN(C)[C@H](C(=O)N2C[C@@H](NC(=O)CN=C(N)N)CC2)C1)C=1[C@H](C)[C@@H]2[C@@H]([C@H](O)C)C(=O)N2C=1C(=O)O	0.2787536009528289	Iwata	logCL
O=C1[C@](O)(CC)C2=C(C(=O)N3C(c4nc5c(c(CN(C)C)c(O)cc5)cc4C3)=C2)CO1	1.1139433523068367	Iwata	logCL
S(=O)(=O)(NC(=O)NC(C)C)c1c(Nc2cc(C)ccc2)ccnc1	-0.27572413039921095	Iwata	logCL
O(C)c1cc([C@]2(O)[C@@H](CN(C)C)CCCC2)ccc1	0.8129133566428556	Iwata	logCL
Clc1cc(N2CCN(CCCN3C(=O)N4C(=N3)C=CC=C4)CC2)ccc1	0.146128035678238	Iwata	logCL
O=C(O)COc1c2c(ccc1)C[C@@H]1[C@@H](CC[C@@H](O)CCCCC)[C@H](O)C[C@@H]1C2	1.0293837776852097	Iwata	logCL
Nc1c(-c2ccccc2)nc2c(N)nc(N)nc2n1	1.7993405494535817	Iwata	logCL
Clc1c(C2=NCc3n(c(C)nn3)-c3c2cc(Cl)cc3)cccc1	0.47712125471966244	Iwata	logCL
O(C)c1c(OC)cc(Cc2c(N)nc(N)nc2)cc1OC	0.3222192947339193	Iwata	logCL
O(C)c1c(OC)cc(NCc2c(C)c3c(N)nc(N)nc3cc2)cc1OC	-0.11350927482751812	Iwata	logCL
O=C1[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O[C@H](CCCC)C1	0.2304489213782739	Iwata	logCL
Fc1c(N2c3nc(N4C[C@H]5C([NH3+])[C@H]5C4)c(F)cc3C(=O)C(C(=O)[O-])=C2)ccc(F)c1	0.146128035678238	Iwata	logCL
O=C1N([C@H]2O[C@@H](CO)OC2)C=CC(N)=N1	0.38021124171160603	Iwata	logCL
O(C)c1c(O)c2Oc3ccc(cc3)C[C@@H]3N(C)CCc4c3cc(c(OC)c4)Oc3c(O)ccc(c3)C[C@H]3[N+](C)(C)CCc(c23)c1	0.5314789170422551	Iwata	logCL
Fc1ccc(C[C@@H]2C(=O)NCCCc3c(O[C@H](C)CN[C@H](C(=O)N(C)[C@H](C)C(=O)N2)C2CC2)cccc3)cc1	-1.0	Iwata	logCL
Clc1c(N(S(=O)(=O)C)CCO)c2NC(=O)C(=O)Nc2cc1Cl	0.7781512503836436	Iwata	logCL
O=C(O)CCCCCCCCCCCCCCCCCCC	-0.7958800173440752	Iwata	logCL
O=C([C@@H](C/C=C/C)C)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C(C)C)NC1=O	0.414973347970818	Iwata	logCL
Clc1c2Oc3c(O[C@H]4[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@](N)(C)C5)[C@@H](O)[C@H](O)[C@@H](CO)O4)c4Oc5c(Cl)cc([C@@H](O)[C@H]6C(=O)N[C@H](C(=O)O)c7c(c(O)cc(O)c7)-c7c(O)ccc([C@H](C(=O)N6)NC(=O)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](NC(=O)[C@H](NC)CC(C)C)[C@H](O)c(c1)cc2)c(c3)c4)c7)cc5	0.11394335230683679	Iwata	logCL
O(C)c1ccc(C(CN(C)C)C2(O)CCCCC2)cc1	1.146128035678238	Iwata	logCL
O(C)c1c(OC)ccc(C(C#N)(C(C)C)CCCN(CCc2cc(OC)c(OC)cc2)C)c1	1.255272505103306	Iwata	logCL
O=C(CNC12CC3(O)CC(C1)CC(C3)C2)N1[C@H](C#N)CCC1	0.9956351945975499	Iwata	logCL
O=C(O[C@H]1[C@](O)(C(=O)OC)[C@@H]2N(C)c3c(cc(c(OC)c3)[C@]3(C(=O)OC)c4[nH]c5c(c4CCN4C[C@](O)(CC)C[C@@H](C3)C4)cccc5)[C@@]32[C@@H]2[C@@]1(CC)C=CCN2CC3)C	0.4913616938342727	Iwata	logCL
O=C(O[C@H]1[C@](O)(C(=O)OC)[C@@H]2N(C=O)c3c(cc(c(OC)c3)[C@]3(C(=O)OC)c4[nH]c5c(c4CCN4C[C@](O)(CC)C[C@H](C3)C4)cccc5)[C@@]32[C@@H]2[C@@]1(CC)C=CCN2CC3)C	0.3010299956639812	Iwata	logCL
O=C(OC)[C@@]1(c2c(OC)cc3N(C)[C@H]4[C@@](O)(C(=O)N)[C@H](O)[C@@]5(CC)[C@@H]6N(CC=C5)CC[C@]46c3c2)c2[nH]c3c(c2CCN2C[C@](O)(CC)C[C@H](C1)C2)cccc3	0.3424226808222063	Iwata	logCL
Fc1c([C@](O)([C@@H](C)c2c(F)cncn2)Cn2ncnc2)ccc(F)c1	0.919078092376074	Iwata	logCL
O=C(NO)CCCCCCC(=O)Nc1ccccc1	1.4471580313422192	Iwata	logCL
O=C(CC(c1ccccc1)C=1C(=O)Oc2c(C=1O)cccc2)C	-1.2218487496163564	Iwata	logCL
O=C1N([C@@H]2O[C@H](CO)CC2)C=CC(N)=N1	0.7481880270062004	Iwata	logCL
O=C(N(CC)c1cc(C=2n3ncc(C#N)c3N=CC=2)ccc1)C	1.2041199826559248	Iwata	logCL
O=C(N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1[NH+]=C(N)N)C	0.2041199826559248	Iwata	logCL
O=C1N([C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])C2)C=C(C)C(=O)N1	1.3979400086720377	Iwata	logCL
P(=O)(O)(O)C(P(=O)(O)O)(O)Cn1cncc1	0.3424226808222063	Iwata	logCL
O=C1OC[C@H](Cc2cc3c(CCN(C)C)c[nH]c3cc2)N1	0.8260748027008264	Iwata	logCL
O=C(N(C)C)Cc1c(-c2ccc(C)cc2)nc2n1C=C(C)C=C2	0.6334684555795865	Iwata	logCL
O=C(O)c1c(-c2ccc(Cn3c(CCC)nc4c(C)cc(-c5n(C)c6c(n5)cccc6)cc34)cc2)cccc1	0.9229848157088828	Iwata	logCL
O=C(O)CCCCCN	0.3979400086720376	Iwata	logCL
Clc1c(S(=O)(=O)N)cc(C2(O)NC(=O)c3c2cccc3)cc1	0.003460532109506489	Iwata	logCL
O=C(O[C@@H]1[C@@H]2[C@@H](CC[C@H]3OC(=O)C[C@H](O)C3)[C@@H](C)C=CC2=C[C@H](C)C1)C(CC)(C)C		Iwata	logCL
O=C(O)[C@@H](N(C(=O)CCCC)Cc1ccc(-c2c(-c3[nH]nnn3)cccc2)cc1)C(C)C	-0.3540867249661558	Iwata	logCL
Brc1ccc(C(=O)c2c(N)c(CC(=O)O)ccc2)cc1	0.11394335230683679	Iwata	logCL
O=C(OC1CCN(C)CC1)C(OCCC)(c1ccccc1)c1ccccc1		Iwata	logCL
Clc1c(NC2=NCCN2)c2nsnc2cc1	1.0384214456424594	Iwata	logCL
O=C(N)N1c2c(cccc2)C=Cc2c1cccc2		Iwata	logCL
FC(F)(F)c1c(C#N)ccc(O[C@H]2C(=O)N(Cc3ccccc3)CC2(C)C)c1	1.2041199826559248	Iwata	logCL
O=C(Nc1c(C)cccc1C)C1N(C)CCCC1	0.8325089127062363	Iwata	logCL
Clc1c(N2C[C@@H](N)C3(C2)CC3)c(F)cc2C(=O)C(C(=O)O)=CN([C@H]3[C@@H](F)C3)c12	0.47712125471966244	Iwata	logCL
O=C(O)C(CCC)CCC	-0.8013429130455774	Iwata	logCL
Fc1cc2c(C(Cc3nnccc3)=C(CCN(C)C)C2)cc1	0.33243845991560533	Iwata	logCL
Fc1c([C@@H](C)c2c(CCN(C)C)sc3c2cccc3)cccn1	1.08278537031645	Iwata	logCL
O=C(OC)O[C@]12[C@H]3[C@H](OC(=O)c4ccccc4)[C@@]4(O)C(C)(C)C([C@@H](OC(=O)C)C(=O)[C@]3(C)[C@@H](O)C[C@H]1OC2)=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C4	0.9344984512435677	Iwata	logCL
O=C1N(Cc2c(C)[nH]cn2)CCc2n(C)c3c(c12)cccc3	0.9395192526186185	Iwata	logCL
Clc1c(Cl)cccc1N1CCN(CCCCOc2cc3NC(=O)CCc3cc2)CC1	-0.08884239126002341	Iwata	logCL
O=C(Oc1c[n+](C)ccc1)N(C)C	0.8920946026904804	Iwata	logCL
FC=1C(=O)NC(=O)N([C@H]2[C@H](O)[C@H](O)[C@@H](C)O2)C=1	0.9967305154351527	Iwata	logCL
O=C(N)c1c(O)ccc(C(O)CNC(CCc2cc3OCOc3cc2)C)c1	1.2041199826559248	Iwata	logCL
S(=O)(=O)(N(C[C@@H](O)[C@@H](NC(=O)O[C@@H]1COCC1)Cc1ccccc1)CC(C)C)c1ccc(N)cc1	1.0010128955194	Iwata	logCL
S(=O)(=O)(N[C@H](C(=O)N1[C@@H](C(=O)O)C[C@H](C)CC1)CCCNC(=N)N)c1c2NCC(C)Cc2ccc1	0.6989700043360189	Iwata	logCL
O=C1[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O[C@H](C)C1	-0.004364805402450088	Iwata	logCL
O=C(O)C[C@H]1C(=O)N[C@@H](Cc2c3c([nH]c2)cccc3)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N)CSSCCC(=O)N[C@@H](CCCCNC(=N)N)C(=O)NCC(=O)N1)CCC2	0.07918124604762482	Iwata	logCL
O=C1[C@@](O)(C)C2(C(C)=C3C(CO)=C(C)C=C13)CC2	2.146128035678238	Iwata	logCL
O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@](O)([C@H]([N+](CC2CC2)(C)CC3)C4)CC1	1.3424226808222062	Iwata	logCL
O=C(Nc1c(C)cccc1)C(NCCC)C	1.5250448070368452	Iwata	logCL
O=[N+]([O-])c1c(-n2cncc2)cc2N(CC(=O)O)C(=O)C(=O)Nc2c1	0.724275869600789	Iwata	logCL
S(CC1=C(C(=O)[O-])N2C(=O)[C@@](OC)(NC(=O)C(C(=O)[O-])c3ccc(O)cc3)[C@H]2OC1)c1n(C)nnn1	0.07918124604762482	Iwata	logCL
Clc1ccc(C[C@@H](NC(=O)[C@H](NC(=O)C)Cc2cc3c(cc2)cccc3)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N)C)CCC2)CCCNC(=N)N)CC(C)C)CCCNC(=O)N)Cc2ccc(O)cc2)CO)Cc2cnccc2)cc1	0.07918124604762482	Iwata	logCL
Cl[C@]12[C@@H](O)C[C@]3(C)[C@@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@H](C)C[C@H]3[C@@H]1CCC=1[C@]2(C)C=CC(=O)C=1	1.5563025007672873	Iwata	logCL
OC([C@H](/C=C/[C@@H](C)[C@@H]1[C@]2(C)[C@H](/C(=C/C=C/3\C[C@@H](O)C[C@H](O)C\3)/CCC2)CC1)C)(C)C	-0.049391775215769214	Iwata	logCL
O=C(O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@H](C[C@H](OC(=O)C)[C@@H](N4CCCCC4)C3)CC[C@@H]21)C	0.6532125137753437	Iwata	logCL
S(C[C@H]1C(=O)C[C@H]2C(=O)N[C@@H](c3ccccc3)C(=O)O[C@H](C)[C@H](NC(=O)c3c(O)cccn3)C(=O)N[C@H](CC)C(=O)N3[C@H](C(=O)N(C)[C@@H](Cc4ccc(N(C)C)cc4)C(=O)N2C1)CCC3)[C@H]1C2CCN(C1)CC2	1.2041199826559248	Iwata	logCL
O=C([O-])[O-]	0.11394335230683679	Iwata	logCL
S(=O)(=O)(CCN(CC)CC)[C@H]1[C@@H]2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(/C)=C/[C@@H](O)CC(=O)Cc3occ(C(=O)N2CC1)n3	1.2041199826559248	Iwata	logCL
O=C(O[C@H]1[C@H](OC)C[C@H](C[C@@H](C)[C@H]2OC(=O)[C@H]3N(C(=O)C(=O)[C@@]4(O)[C@H](C)CC[C@H](O4)C[C@H](OC)/C(/C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(/C)=C/[C@@H](C)C(=O)C2)CCCC3)CC1)C(CO)(CO)C	0.8864907251724818	Iwata	logCL
O=C(N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)NCC)CCC1)CCCNC(=N)N)CC(C)C)CC(C)C)Cc1ccc(O)cc1)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)CO	0.3010299956639812	Iwata	logCL
O=C(O[C@H]1[C@@H]([N+]2(CC=C)CCCC2)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@H](C[C@H](O)[C@@H](N4CCOCC4)C3)CC[C@@H]21)C	0.568201724066995	Iwata	logCL
O=[N+]([O-])c1ccc(-c2oc(/C=N/N3C(=O)NC(=O)C3)cc2)cc1	-0.36653154442041347	Iwata	logCL
Ic1c(NC(=O)C)c(I)c(C(=O)NC)c(I)c1C(=O)O	0.38021124171160603	Iwata	logCL
O=C(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)C[C@H]2[C@@H]1CCCC2)C)CCC	0.2304489213782739	Iwata	logCL
O=C1[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]2(C)O[C@H]2C[C@@H](/C(=C/c2nc(C)sc2)/C)NC(=O)C[C@H](O)C1(C)C	1.0	Iwata	logCL
Clc1cc2C(c3ccccc3)=NC(C(=O)O)C(=O)Nc2cc1	0.04139268515822508	Iwata	logCL
O=C(O[C@]([C@@H](CN(C)C)C)(Cc1ccccc1)c1ccccc1)CC	1.1760912590556813	Iwata	logCL
O=C(O)C=1C(=O)c2c(N(C3CC3)C=1)c(OC)c(N1C[C@@H](N)C[C@H](C)C1)cc2	0.578147833955328	Iwata	logCL
SCC/C=C/[C@H]1OC(=O)[C@H](C(C)C)NC(=O)/C(=C/C)/NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)CC(=O)C1	0.8692317197309762	Iwata	logCL
O=C1C=C2[C@@H]([C@@H]3[C@H]([C@H]4[C@@](CC)([C@](O)(C#C)C=C4)CC3)CC2)CC1	-0.09691001300805639	Iwata	logCL
O=C(O)C(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	0.2787536009528289	Iwata	logCL
O[C@@H](CNC)c1cc(O)ccc1	1.4771212547196624	Iwata	logCL
O=C(Oc1c(C)c2OCOc2c2[C@@H]3N4[C@@H](O)[C@H]5N(C)[C@@H]([C@@H]4[C@@H](SC[C@@]4(C(=O)OC3)NCCc3c4cc(OC)c(O)c3)c12)c1c(O)c(OC)c(C)cc1C5)C	1.0791812460476249	Iwata	logCL
O=C(OCC#CCN(CC)CC)C(O)(c1ccccc1)C1CCCCC1	0.7075701760979364	Iwata	logCL
Clc1ccc(-c2oc(/C=N/N3C(=O)N(CCCCN4CCN(C)CC4)C(=O)C3)cc2)cc1	0.38021124171160603	Iwata	logCL
O=C(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)CCC1)CCCCN)CCc1ccccc1	-0.045757490560675115	Iwata	logCL
O=C(NCN1CCCC1)C=1C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](O)(C)[C@H]3C[C@H]2[C@H](N(C)C)C=1O	-0.01322826573375516	Iwata	logCL
O=C(OCCC[N+]1(C)C(Cc2cc(OC)c(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2CC1)CCC(=O)OCCC[N+]1(C)C(Cc2cc(OC)c(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2CC1	0.43136376415898736	Iwata	logCL
S(=O)(=O)(O)C(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	0.2041199826559248	Iwata	logCL
Fc1c(N2CCOCC2)ccc(N2C(=O)O[C@@H](CNC(=O)C)C2)c1	0.21748394421390627	Iwata	logCL
O=C(N[C@@H](CC(C)C)c1c(N2CCCCC2)cccc1)Cc1cc(OCC)c(C(=O)O)cc1	0.8907003976988751	Iwata	logCL
O=C1C=C2C(=C3[C@@H](c4ccc(N(C)C)cc4)C[C@]4(C)[C@](O)(C#CC)CC[C@H]4[C@@H]3CC2)CC1	-0.4814860601221125	Iwata	logCL
O=C(N)c1cc2c([nH]c3c2C[C@H](NC)CC3)cc1	0.3521825181113625	Iwata	logCL
Fc1ccc(Cn2c3c(c(CN4[C@H](C(=O)N)CCC4)c2)cc(C(=O)N(O)C)nc3)cc1	0.7403626894942439	Iwata	logCL
ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)CO	0.37106786227173627	Iwata	logCL
O=[N+]([O-])c1cc2C(c3ccccc3)=NCC(=O)Nc2cc1	-0.060480747381381476	Iwata	logCL
O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H]3Oc4c(O)ccc5c4[C@@]43[C@H]([C@H](N(C)CC4)C5)C=C2)O1	0.3424226808222063	Iwata	logCL
Clc1c(NC2=NCCN2)c(Cl)ccc1	0.6020599913279624	Iwata	logCL
Clc1ccc(SC(P(=O)(O)O)P(=O)(O)O)cc1	-0.5228787452803376	Iwata	logCL
Clc1cnc(N2C(=O)c3nccnc3C2OC(=O)N2CCN(C)CC2)cc1	0.5152113043278018	Iwata	logCL
[SH0](=O)(CCCC(F)(F)C(F)(F)F)CCCCCCCCC[C@H]1[C@H]2[C@H]3[C@@](C)([C@@H](O)CC3)CC[C@@H]2c2c(cc(O)cc2)C1		Iwata	logCL
O=C(OCCCCCOC(=O)CC[N+]1(C)C(Cc2cc(OC)c(OC)cc2)c2c(cc(OC)c(OC)c2)CC1)CC[N+]1(C)C(Cc2cc(OC)c(OC)cc2)c2c(cc(OC)c(OC)c2)CC1	0.7558748556724915	Iwata	logCL
S(=O)(=O)(N)c1c(-c2ccc(NC(=O)Cc3c4c([nH]c3)ccc(C(=N)N)c4)cc2)cccc1	1.52283531366053	Iwata	logCL
Oc1c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)cc(C)cc1	0.9242792860618817	Iwata	logCL
O=C(NC(C)(C)C)[C@@H]1[C@]2(C)[C@H]([C@H]3[C@@H]([C@]4(C)C(C=C(C(=O)O)CC4)=CC3)CC2)CC1	-0.49147028102871343	Iwata	logCL
O([C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@H](O)[C@@H](CO)O2)[C@H](N)C[C@@H]1N)[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CN)O1	0.146128035678238	Iwata	logCL
ClC(Cl)C(=O)O	0.724275869600789	Iwata	logCL
N(CCN(Cc1sccc1)c1ncccc1)(C)C	1.4471580313422192	Iwata	logCL
O=C(N)C=1C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(N(C)C)c4C[C@H]3C[C@H]2[C@H](N(C)C)C=1O	0.06694678975469737	Iwata	logCL
O(C(c1ccccc1)C1OCCNC1)c1c(OCC)cccc1	-0.08884239126002341	Iwata	logCL
O=C(O)[C@H]1C(C)(C)S[C@@H]2[C@H](NC(=O)c3c(OCC)ccc4c3cccc4)C(=O)N12	0.5185139398778874	Iwata	logCL
S(C)[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@H]2N(C)C[C@H](CCC)C2)[C@H](O)C)O1	0.3222192947339193	Iwata	logCL
Clc1ccc(C2CCC(C3=C(O)C(=O)c4c(C3=O)cccc4)CC2)cc1	-0.7891466346851068	Iwata	logCL
O=C(O)C[C@H](N1C(=O)N(CCCc2nc3NCCCc3cc2)CC1)c1cnc(OC)cc1	0.0	Iwata	logCL
F[C@]12[C@@H](O)C[C@]3(C)[C@@](O)(C(=O)CO)[C@H](O)C[C@H]3[C@@H]1CCC=1[C@]2(C)C=CC(=O)C=1		Iwata	logCL
O(CCN1CCOCC1)c1ccc(/C=C(\C)/c2cc3C(C)(C)CCC(C)(C)c3cc2)cc1	1.0413926851582251	Iwata	logCL
S(C(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1(F)[C@]3(C)C([C@@H](F)C[C@@H]21)=CC(=O)C=C3)CF	1.2304489213782739	Iwata	logCL
S(=O)(=O)(NC(=O)NC1CCC(C)CC1)c1ccc(CCNC(=O)N2C(=O)C(CC)=C(C)C2)cc1	-0.3010299956639812	Iwata	logCL
S(=O)(=O)(N(C)c1nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)n1)C	1.0075344178972576	Iwata	logCL
S(=O)(=O)(CCc1cc2c(C[C@@H]3N(C)CCC3)c[nH]c2cc1)c1ccccc1	0.724275869600789	Iwata	logCL
F[C@@H]1C=2[C@@](C)([C@H]3[C@@H](O)C[C@]4(C)[C@]5(C(=O)CO)OC(C)(C)O[C@@H]5C[C@H]4[C@@H]3C1)C=CC(=O)C=2	1.0791812460476249	Iwata	logCL
O=C1N(Cc2ccc(-c3c(-c4n[nH]nn4)cccc3)cc2)C(CCCC)=NC21CCCC2	0.3443922736851107	Iwata	logCL
S=C1N(C)C=CN1	0.568201724066995	Iwata	logCL
S=C1NC(=O)C=C(CCC)N1	0.4913616938342727	Iwata	logCL
S(=O)(=O)(N1CCN(CC)CC1)c1cc(c(OCC)cc1)C1=NC(=O)c2c(C)nc(CCC)n2N1	1.1139433523068367	Iwata	logCL
Fc1ccc(C(=O)CCCN2CCC(C)CC2)cc1	1.662757831681574	Iwata	logCL
O=C1c2c(NCCN(C)C)ccc3n(CCNCCO)nc(c23)-c2c1ccnc2	1.4313637641589874	Iwata	logCL
O=C(O)[C@@H](C)c1cc2c(cc(OC)cc2)cc1	-1.154901959985743	Iwata	logCL
OCC(CO)CCn1c2nc(N)nc(O)c2nc1	0.8276922886744456	Iwata	logCL
S(C(F)F)CC(=O)N[C@]1(OC)C(=O)N2C(C(=O)O)=C(CSc3n(CCO)nnn3)CO[C@H]12	0.7781512503836436	Iwata	logCL
S(c1n(C)cnc1[N+](=O)[O-])c1ncnc2nc[nH]c12	1.7558748556724915	Iwata	logCL
OCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1	0.10551018476997394	Iwata	logCL
O=C1C(CCC)C(=O)N2N1C(N(C)C)=Nc1c2cc(C)cc1	-0.8538719643217619	Iwata	logCL
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO)[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](N[C@@H]3[C@H](O)[C@@H](O)[C@H](O)C(CO)=C3)[C@@H](C)O2)[C@@H](CO)O1	0.17609125905568124	Iwata	logCL
Fc1nc(N)c2ncn([C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O3)c2n1	0.505149978319906	Iwata	logCL
O[C@H]([C@@H](NC)C)c1ccccc1		Iwata	logCL
Clc1c2[C@@H](O)[C@@H]3C(C(=O)c2c(O)cc1)=C(O)[C@]1(O)C(=O)C(C(=O)N)=C(O)[C@@H](N(C)C)[C@@H]1C3	0.04139268515822508	Iwata	logCL
S(CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)C)CS[C@H]12)c1ccncc1	0.43136376415898736	Iwata	logCL
O=C1C(c2ccccc2)(c2ccccc2)NC(O)=N1	-0.35001645603075443	Iwata	logCL
O=C1C=C2[C@@](C)([C@@H]3[C@@](C)([C@H](C)C2)[C@H]2[C@@](C)([C@@H](O)CC2)CC3)CC1	1.3010299956639813	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)C(Oc1ccccc1)C	0.6232492903979004	Iwata	logCL
O=C1N(C)[C@H](c2cnccc2)C[C@H]1O	0.25527250510330607	Iwata	logCL
S(=O)(=O)(O)c1c2c(cc(S(=O)(=O)O)c1)ccc(NC(=O)c1n(C)cc(NC(=O)c3n(C)cc(NC(=O)Nc4cn(C)c(C(=O)Nc5cn(C)c(C(=O)Nc6cc7c(S(=O)(=O)O)cc(S(=O)(=O)O)cc7cc6)c5)c4)c3)c1)c2	-2.3279021420642825	Iwata	logCL
Fc1c(C)c2c3c(nc4c(c3[C@@H](N)CC2)CN2C(=O)C3=C([C@@](O)(CC)C(=O)OC3)C=C42)c1	-0.017728766960431602	Iwata	logCL
O=C1c2c(NCCCN)ccc3c(CNCCO)nn(c23)-c2c(O)ccc(O)c12	1.255272505103306	Iwata	logCL
O=C(OCCN(C)C)C(OCC(CC)CC)(c1ccccc1)c1ccccc1	0.7558748556724915	Iwata	logCL
O=C(Nc1c(OC)cc(CC(=O)NCC(=O)N(CCC(=O)O)Cc2cc(CO)c(CO)cc2)cc1)Nc1c(C)cccc1	1.0413926851582251	Iwata	logCL
O=C(NC1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1C(O)CO)CCC(=O)/C=C/C=C/CCCCCCCCC	0.43136376415898736	Iwata	logCL
O(C)[C@@H]1[C@H](O)/C(/C)=C/[C@@H](C)C(=O)C[C@@H]([C@@H](C[C@H]2C[C@@H](OC)[C@@H](n3nnnc3)CC2)C)OC(=O)[C@H]2N(C(=O)C(=O)[C@@]3(O)[C@H](C)CCC(O3)C[C@H](OC)/C(/C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C1=O)CCCC2	-0.17392519729917355	Iwata	logCL
O=C(N[C@@H](C(C)(C)C)C(=O)N1CCN(Cc2cc3OCOc3cc2)CC1)[C@@H](CN(O)C=O)CC1CCCC1	0.4913616938342727	Iwata	logCL
O=C(O[C@H]1[C@@H](N2CC[N+](C)(C)CC2)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@](C)(C[C@H](OC(=O)C)[C@@H](N4CC[N+](C)(C)CC4)C3)CC[C@@H]21)C	0.47712125471966244	Iwata	logCL
O=C1c2c(O)cc(O)c3c4c(O)cc(O)c5C(=O)c6c(O)cc(C)c7c8c(CO)cc(O)c1c8c(c(c45)c67)c23	-0.20760831050174613	Iwata	logCL
IC1C(C)O[C@@H](O[C@@H]2c3c(c(O)c4C(=O)c5c(c(OC)ccc5)C(=O)c4c3)C[C@@](O)(C(=O)CO)C2)CC1N	2.296665190261531	Iwata	logCL
O=C(OC(C)(C)C)N[C@H]([C@@H](O)C(=O)O[C@@H]1C(C)=C2[C@@H](OC(=O)C)C(=O)[C@@]34[C@H]([C@@H](OC(=O)c5ccccc5)[C@@](O)(C2(C)C)C1)[C@@]1(OC(=C)C)[C@H](OC1)C[C@@H]3C4)c1ccccc1	1.146128035678238	Iwata	logCL
O=C(O)C=1N2C(=O)/C(=C/c3nnn(C)c3)/[C@H]2SC=1	1.0791812460476249	Iwata	logCL
O(C)[C@@H]1[C@H]2[C@H]([C@H]3[C@@](C)([C@](O)(C#C)CC3)C1)CCc1c2ccc(O)c1	-0.46852108295774486	Iwata	logCL
N(CCC=C1c2c(OCc3c1cccc3)cccc2)(C)C	1.146128035678238	Iwata	logCL
O=C(OCc1scnc1)N[C@H]([C@@H](O)C[C@@H](NC(=O)[C@@H](NC(=O)N(Cc1nc(C(C)C)sc1)C)C(C)C)Cc1ccccc1)Cc1ccccc1	0.07918124604762482	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)[C@H](N)c1ccc(O)cc1	0.2844307338445195	Iwata	logCL
S(=O)(=O)([O-])CCCC[N+]1=C(/C=C/C=C/C=C/C=C/2\N(CCCCS(=O)(=O)[O-])c3c(C\2(C)C)c2c(cc3)cccc2)C(C)(C)c2c3c(ccc12)cccc3	0.8325089127062363	Iwata	logCL
O=C(OC(C)C)C1=C(C)NC(C)=C(C(=O)OC)C1c1c2nonc2ccc1	1.414973347970818	Iwata	logCL
O=C(O)[C@@H](NC(=O)c1ccc(NCC2N(C=O)C=3C(=O)N=C(N)NC=3NC2)cc1)CCC(=O)O	0.7180862947830916	Iwata	logCL
O=C(O[C@@H]1[C@H](c2ccc(OC)cc2)Sc2c(N(CCN(C)C)C1=O)cccc2)C	1.0433622780211296	Iwata	logCL
O=C1C(C#N)=C(NCc2cnccc2)NC(C)=N1	0.6020599913279624	Iwata	logCL
O=C(NCCCN(C)c1nc(N)c2c(n1)cc(OC)c(OC)c2)C1OCCC1	0.7708520190030675	Iwata	logCL
O=C(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)Cc2c(cccc2)C1)C)CCc1ccccc1	-0.15645578805436483	Iwata	logCL
O=C(O[C@@H]1C2CCN(C1)CC2)N1[C@@H](c2ccccc2)c2c(cccc2)CC1	0.31701810104811157	Iwata	logCL
O[C@H]([C@H](C)N1CCC(O)(c2ccccc2)CC1)c1ccc(O)cc1	1.4313637641589874	Iwata	logCL
Ic1c(N(C(=O)C)C)c(I)c(C(=O)O)c(I)c1NC(=O)C	0.43136376415898736	Iwata	logCL
P(=O)(O[C@@H]([C@](O)(/C=C/[C@@H]1OC(=O)C=CC1)C)C[C@@H](O)/C=C\C=C/C=C/CO)(O)O	0.07918124604762482	Iwata	logCL
O(C)c1c(OC)cc2c3[C@H]([N+](C)(C)CC2)Cc2cc(c(OC)cc2)Oc2c(OC)cc4c([C@@H]([N+](C)(C)CC4)Cc4ccc(Oc13)cc4)c2	0.07918124604762482	Iwata	logCL
O([C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)[C@@H](C)C(=O)O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]1(OC)C)[C@H]1[C@H](O)[C@@H](N(C)C)C[C@@H](C)O1	0.808436054265609	Iwata	logCL
O=C1N(CC)CC(CCN2CCOCC2)C1(c1ccccc1)c1ccccc1	0.7160033436347992	Iwata	logCL
O=C(Nc1ccc(C(=O)N2c3c(-c4nc(C)[nH]c4CC2)cccc3)cc1)c1c(-c2ccccc2)cccc1	0.47712125471966244	Iwata	logCL
S(=O)(=O)(N)c1c(C(F)(F)F)cc2NCNS(=O)(=O)c2c1	0.8260748027008264	Iwata	logCL
O(C)c1cc2N(C[C@@H](CN(C)C)C)c3c(Sc2cc1)cccc3	0.9328118686285307	Iwata	logCL
O=C(O)c1c(C=2c3c(OC=4C=2C=CC(=O)C=4)cc(O)cc3)cccc1	0.11394335230683679	Iwata	logCL
Clc1cc2S(=O)(=O)N=C(C)Nc2cc1	-1.3467874862246563	Iwata	logCL
O=C1N(c2cc(C)ccc2)CC(CO)O1	1.0413926851582251	Iwata	logCL
O(C(CO)CO)Cn1c2nc(N)nc(O)c2nc1	0.5532760461370995	Iwata	logCL
O=C(O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)[C@H](C[C@H](OC(=O)C)[C@@H]([N+]4(C)CCCCC4)C3)CC[C@@H]21)C	0.17609125905568124	Iwata	logCL
O=C(CCC)N1CCN(c2nc(N)c3c(n2)cc(OC)c(OC)c3)CCC1	0.6812412373755872	Iwata	logCL
O=C(CCCN1CCCC1)c1c(OC)cc(OC)cc1OC	0.7222224639697303	Iwata	logCL
O=C1C(C#N)=CC(c2ccncc2)=C(C)N1	0.6946051989335688	Iwata	logCL
P(=O)(OC(Cn1ncnc1)(Cn1ncnc1)c1c(F)cc(F)cc1)(O)O	0.11394335230683679	Iwata	logCL
Oc1cc2c(c3c4c(NCCCN(C)C)ncc(C)c4[nH]c3cc2)cc1	1.255272505103306	Iwata	logCL
S(CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1)c1sc(C)nn1	0.25527250510330607	Iwata	logCL
Clc1c(CO)n(Cc2ccc(-c3c(-c4[nH]nnn4)cccc3)cc2)c(CCCC)n1	0.9017306917292187	Iwata	logCL
S(=O)(=O)(N1CCN(CC)CC1)c1cc(c(OCC)nc1)C1=Nc2c(CC)n(CCOC)nc2C(=O)N1	1.1072099696478683	Iwata	logCL
O=[N+]([O-])c1cc([C@H]2C(C(=O)OCCCN3CCC(c4ccccc4)(c4ccccc4)CC3)=C(C)NC(C)=C2C(=O)OC)ccc1	0.9684829485539351	Iwata	logCL
O=C(N[C@H](C(=O)N1[C@H](C(=O)Nc2c(-c3ccccc3)nns2)CCC1)C1CCCCC1)[C@@H](NC)C	0.9542425094393249	Iwata	logCL
Brc1c(O)c(Br)cc(C[C@@H](NC(=O)N2CCC(N3C(=O)Nc4c(cccc4)C3)CC2)C(=O)N[C@H](C(=O)N2CCN(c3ccncc3)CC2)CCCCN)c1	0.414973347970818	Iwata	logCL
O(C)c1cc2c([C@H](O)C3N4CC(CC)C(C3)CC4)ccnc2cc1	0.6232492903979004	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12)/C(=N\OC)/c1nc(N)sc1	0.1832698436828046	Iwata	logCL
O(/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3n(C)c(N)c(NC(=O)NCCN)c3)CS[C@H]12)/c1nc(N)sn1)C(C(=O)[O-])(C)C		Iwata	logCL
O=C(C)[C@@H]1[C@]2(C)[C@H]([C@H]3[C@@H]([C@]4(C)[C@@H](C[C@H](O)CC4)CC3)CC2)CC1	1.3424226808222062	Iwata	logCL
OCCn1ncc(-c2nc3n(Cc4cc5c(nccc5)cc4)nnc3nc2)c1	0.9542425094393249	Iwata	logCL
Clc1cc2NC(=O)N(C3CCN(CCCN4C(=O)Nc5c4cccc5)CC3)c2cc1	0.9777236052888477	Iwata	logCL
Clc1c(C2=NC(O)C(=O)N(C)c3c2cc(Cl)cc3)cccc1	0.6020599913279624	Iwata	logCL
O([C@H]1[C@H](O[C@@H]2[C@H](N)[C@@H](O)[C@H](O)[C@@H](CN)O2)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O1	0.17609125905568124	Iwata	logCL
O([C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@](O)(C)CO2)[C@H](N)C[C@@H]1N)[C@@H]1[C@H](N)CC=C(CN)O1	0.0	Iwata	logCL
O=C(OCC)C1(c2ccccc2)C(N(C)C)C=CCC1	1.202079441007388	Iwata	logCL
Fc1ccc(-c2c(/C=C/C(O)CC(O)CC(=O)O)n(C(C)C)c3c2cccc3)cc1	1.2041199826559248	Iwata	logCL
Clc1c(-c2c(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c(C)on2)c(F)ccc1	0.38021124171160603	Iwata	logCL
P(=O)(O[C@H]1[C@H](OCC[C@H](OC)CCCCCCC)[C@@H](NC(=O)CCCCCCCCC/C=C\CCCCCC)[C@H](OC[C@@H]2[C@@H](O)[C@H](OCCCCCCCCCC)[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OP(=O)(O)O)O2)O[C@@H]1OC)(O)O	-1.8860566476931633	Iwata	logCL
S(=O)(=O)(CC)c1c(N)cc(OC)c(C(=O)NCC2N(CC)CCC2)c1	0.8016323462103089	Iwata	logCL
FC(F)(F)c1cc(C[C@@H](NCC)C)ccc1	1.0413926851582251	Iwata	logCL
O=C(N1CC=2C(=NN/C(=N\N)/C=2)CC1)c1ccccc1	1.1139433523068367	Iwata	logCL
O([C@@H]1[C@@H](C)O[C@@H](O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4[C@H]([C@]5(O)[C@@](C)([C@@H](C6=CC(=O)OC6)CC5)CC4)CC3)CC2)C[C@@H]1O)[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)C2)[C@@H](O)C1	-1.3665315444204136	Iwata	logCL
Fc1ccc(CNc2nc(N)c(NC(=O)OCC)cc2)cc1	0.1832698436828046	Iwata	logCL
S(=O)(=O)(N)c1cc(C(=O)NCC2N(CC)CCC2)c(OC)cc1	0.09806659009249478	Iwata	logCL
O([C@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O[C@@H]1C(C)=C2[C@@H](OC(=O)C)C(=O)[C@]3(C)[C@@H](O)C[C@@H]4[C@](OC(=O)C)(C3[C@H](OC(=O)c3ccccc3)[C@@](O)(C2(C)C)C1)CO4)C(=O)CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	-1.6020599913279623	Iwata	logCL
O(CC(O)CNC(C)C)c1c(CC=C)cccc1	1.1717264536532312	Iwata	logCL
Clc1c(C2=NCC(=O)Nc3c2cc(Cl)cc3)cccc1	-0.769551078621726	Iwata	logCL
O=C(N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](NC)[C@](O)(C)CO2)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CN)O2)[C@@H](N)C1)[C@@H](O)CN	0.11394335230683679	Iwata	logCL
Nc1c2c(C(c3ccccc3)CN(C)C2)ccc1	1.275886960301226	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/C)CS[C@H]12)[C@H](N)c1ccc(O)cc1	0.4623979978989561	Iwata	logCL
Brc1cc2C(c3ncccc3)=NCC(=O)Nc2cc1	-0.3396089015975329	Iwata	logCL
Clc1c(N2CC(N)CC2)c(F)cc2C(=O)C(C(=O)O)=CN(C3CC3)c12	0.5910646070264992	Iwata	logCL
O(C)c1c(N2CCN(CCCNC=3N(C)C(=O)N(C)C(=O)C=3)CC2)cccc1	0.46736141738115455	Iwata	logCL
O=C(NC1CCN(CCc2c3c([nH]c2)cccc3)CC1)c1ccccc1	1.3010299956639813	Iwata	logCL
O(CC)c1c(-n2cccc2)c(OCC)cc(Cc2c(N)nc(N)nc2)c1	0.5440680443502757	Iwata	logCL
Clc1cc2nc(/C=C/c3cc([C@@H](SCCC(=O)O)SCCC(=O)N(C)C)ccc3)ccc2cc1	-0.16749108729376366	Iwata	logCL
S(=O)(=O)(Oc1ccc(CCOc2ccc(C[C@H](OCC)C(=O)O)cc2)cc1)C	-1.4288737229156883	Iwata	logCL
O=C1c2c(O)cc(O)c3c4c(O)cc(O)c5C(=O)c6c(O)cc(C)c7c8c(C)cc(O)c1c8c(c(c45)c67)c23	-0.8860566476931632	Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)Cc1ccccc1	0.568201724066995	Iwata	logCL
O=C(NCC1N(CC=C)CCC1)c1c(OC)cc2[nH]nnc2c1	0.6842467474853611	Iwata	logCL
OC(CNC(C)(C)C)c1oc2c(CC)cccc2c1	0.9493900066449128	Iwata	logCL
Fc1ccc(C(=O)CCCN2CCC(n3c(O)nc4c3cccc4)CC2)cc1	0.919078092376074	Iwata	logCL
S(CC/N=C(/NC#N)\NC)Cc1c(C)[nH]cn1	0.7871060930365701	Iwata	logCL
Clc1c(C(C(=O)N)(CCN(C(=O)C)C(C)C)CCN2CCCCC2)cccc1		Iwata	logCL
O(CC)c1c(OCC2OCCNC2)cccc1	0.3222192947339193	Iwata	logCL
S(=O)(=O)(C)c1cc([C@H]2CN(CCC)CCC2)ccc1	0.8573324964312685	Iwata	logCL
ClCCc1c(C)ncs1	1.5185139398778875	Iwata	logCL
O=C(Nc1c(CCC2N(C)CCCC2)cccc1)c1ccc(OC)cc1	1.1072099696478683	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)Cc1sccc1	0.5185139398778874	Iwata	logCL
O(C)c1c(OC)cc2nc(N3Cc4c(cc(OC)c(OC)c4)CC3)cc(N)c2c1	1.146128035678238	Iwata	logCL
Clc1cc2C(c3ccccc3)=NCc3n(c(CN(C)C)nn3)-c2cc1	0.7442929831226762	Iwata	logCL
O=C(Nc1ccc(C=2[C@H](C)CC(=O)NN=2)cc1)C		Iwata	logCL
S(=O)(=O)([C@@H]([C@](O)(Cn1ncnc1)c1c(F)cc(F)cc1)C)C	-0.8559449739836092	Iwata	logCL
S(CO[C@@H]1[C@@]2(C)C(=O)[C@H](OC(=O)C)C=3C(C)(C)[C@](O)([C@@H](OCc4ccccc4)C2[C@@]2(OC(=O)C)[C@H](OC2)C1)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C=3C)C	0.8061799739838872	Iwata	logCL
S(=O)(=O)(N)c1c(-c2ccc(NC(=O)Cn3c4c(nc3)ccc(C(=N)N)c4)cc2)cccc1	1.8652816849956106	Iwata	logCL
O(C)c1c(O)c(OC)cc([C@H]2[C@H]3C(=O)OCC3C(OC3C(N)C(O)C4OC(C)OCC4O3)c3c2cc2OCOc2c3)c1	-0.3979400086720376	Iwata	logCL
S(=O)(=O)(N)c1c(Oc2ccccc2)c(N2CCCC2)cc(C(=O)O)c1	0.4913616938342727	Iwata	logCL
S(=O)(=O)(N1[C@H](Cc2ccccc2)CN(Cc2nc[nH]c2)c2c(cc(C#N)cc2)C1)c1sccc1	0.9822712330395684	Iwata	logCL
O=C(OC(C)(C)C)N[C@H]([C@@H](O)C(=O)O[C@@H]1C(C)=C2[C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@@H]4[C@](OC(=O)C)([C@H]3[C@H](OC(=O)c3ccccc3)[C@@](O)(C2(C)C)C1)CO4)c1ccccc1	1.146128035678238	Iwata	logCL
O=C(NC(=N)N)c1c(n(-c2c3c(nccc3)ccc2)nc1)C1CC1	1.3222192947339193	Iwata	logCL
Clc1ccc(-c2c(N)nc(N)nc2CC)cc1	-1.2839966563652008	Iwata	logCL
Clc1c(Cl)ccc([C@]2(CCN3CC(N4CCN(S(=O)(=O)N)CC4)C3)CN(CC3CC3)C(=O)CC2)c1	0.47712125471966244	Iwata	logCL
O=C(N)CN1C(=O)CC(O)C1	0.09108046922995568	Iwata	logCL
O(C)c1cc2c([C@H](O)[C@@H]3[N+]4(C)C[C@](O)(C=C)C(C3)CC4)ccnc2cc1	1.0791812460476249	Iwata	logCL
O=C[C@]1(O)[C@@H](O[C@H]2[C@@H](NC)[C@H](O)[C@@H](O)[C@H](CO)O2)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]2N=C(N)N)O[C@H]1C	-0.10790539730951958	Iwata	logCL
O=C(O[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)\C(=O)Nc2c(/C=N/N3CCN(C)CC3)c(O)c3c(c(O)c(C)c4O[C@@](C)(C(=O)c34)O/C=C/[C@H](OC)[C@H]1C)c2O)C	0.290034611362518	Iwata	logCL
O=C(Nc1c(O)c2C(=O)C3=C(O)[C@]4(O)C(=O)C(C(=O)N)=C(O)[C@@H](N(C)C)[C@@H]4C[C@@H]3Cc2c(N(C)C)c1)CNC(C)(C)C	0.611617110554336	Iwata	logCL
O=C(NCC(=O)N)[C@@H](NC(=O)[C@H]1N(C(=O)[C@H]2NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC2)CCC1)CCCNC(=N)N	0.146128035678238	Iwata	logCL
S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(CCN2C(=O)C(C)(C)c3c(C2=O)cc(OC)cc3)cc1		Iwata	logCL
O=C(N)c1cc[n+](COC[n+]2c(/C=N/O)cccc2)cc1	0.505149978319906	Iwata	logCL
O=C1C=C2[C@@](C)([C@@H]3[C@H]([C@H]4[C@@](C)([C@@H](O)CC4)CC3)CC2)CC1		Iwata	logCL
O=C(N[C@H](C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)c2c(N)cccc2)NC(=O)[C@H]([C@@H](CC(=O)O)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)CC(=O)O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)Cc1c2c([nH]c1)cccc2)CC(=O)N	-0.5284819352599538	Iwata	logCL
O=C(CO)[C@]1(O)[C@]2(C)[C@H]([C@H]3[C@H]([C@@H](O)C2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1	0.7558748556724915	Iwata	logCL
O=[N+]([O-])c1ccc(C(CC(=O)C)C=2C(=O)Oc3c(C=2O)cccc3)cc1		Iwata	logCL
O=C(O)[C@@H](CCCN)Cc1ncn(CCC)c1	0.17609125905568124	Iwata	logCL
Brc1c(N)cc(OC)c(C(=O)NCCN(CC)CC)c1	1.1139433523068367	Iwata	logCL
Clc1c2[C@](O)(C)[C@@H]3C(C(=O)c2c(O)cc1)=C(O)[C@]1(O)C(=O)C(C(=O)N)=C(O)[C@@H](N(C)C)[C@@H]1C3	0.3010299956639812	Iwata	logCL
O(CC1(C)Oc2c(C)c(C)c(O)c(C)c2CC1)c1ccc(CC2C(=O)NC(=O)S2)cc1	0.5440680443502757	Iwata	logCL
Clc1cc(c(-c2cnc(C)cc2)nc1)-c1ccc(S(=O)(=O)C)cc1	-0.10237290870955855	Iwata	logCL
O=C(N)c1ccc(OCCNCC(O)COc2c(C)cccc2)cc1	1.146128035678238	Iwata	logCL
S(=O)(=O)(Nc1ncccc1)c1ccc(N=Nc2cc(C(=O)O)c(O)cc2)cc1	-0.6575773191777937	Iwata	logCL
O=C(O)c1ccc(N=NN(C)C)cc1	0.11394335230683679	Iwata	logCL
O=C(O)c1c(O)cccc1		Iwata	logCL
O=C(O)c1c(O)ccc(N=Nc2cc(C(=O)O)c(O)cc2)c1	0.04139268515822508	Iwata	logCL
S(=O)(=O)(NC(=O)NN1CC2C(C1)CCC2)c1ccc(C)cc1		Iwata	logCL
Clc1c(C=2Oc3c([C@@H]4[C@H](O)CN(C)CC4)c(O)cc(O)c3C(=O)C=2)cccc1	0.785329835010767	Iwata	logCL
O=C(O)C=1Oc2c(c(OCC(O)COc3c4C(=O)C=C(C(=O)O)Oc4ccc3)ccc2)C(=O)C=1		Iwata	logCL
O=C(N)c1c(O)ccc(C(O)CNC(CCc2ccccc2)C)c1	1.3617278360175928	Iwata	logCL
OC(CNC(C)C)c1cc(O)c(O)cc1	1.7481880270062005	Iwata	logCL
Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1		Iwata	logCL
S=C1NC(=O)C(C(CCC)C)(CC)C(=O)N1	0.9138138523837167	Iwata	logCL
O=C(CCc1ccccc1)c1c(OCC(O)CNC(CC)(C)C)cccc1	1.0413926851582251	Iwata	logCL
O=C(N[C@@]1(C)C(=O)N2[C@@H](Cc3ccccc3)C(=O)N3[C@H]([C@]2(O)O1)CCC3)[C@@H]1C=C2[C@H](N(C)C1)Cc1c3c([nH]c1)cccc23	1.1760912590556813	Iwata	logCL
S(=O)(=O)(Nc1noc(C)c1)c1ccc(N)cc1	-0.4621809049267259	Iwata	logCL
S(=O)(=O)(O[C@@H](C(C)C)CC[C@@H](C)[C@@H]1[C@]2(C)[C@H]([C@@H]3[C@H](O)C[C@@H]4[C@@](C)([C@H]3CC2)CC[C@H](NCCCNCCCCN)C4)CC1)O	0.07918124604762482	Iwata	logCL
N(CCC=C1c2c(cccc2)CCc2c1cccc2)C	0.9978230807457255	Iwata	logCL
Clc1c2c(/C=C/C(=O)Nc3ccccc3)c(C(=O)O)[nH]c2cc(Cl)c1	-1.0457574905606752	Iwata	logCL
O([C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@H](c3sccc3)OC[C@H]2O1)[C@H]1[C@@H]2[C@@H]([C@H](c3cc(OC)c(O)c(OC)c3)c3c1cc1OCOc1c3)C(=O)OC2	-0.721246399047171	Iwata	logCL
Clc1c(Cl)c(C(=O)C(=C)CC)ccc1OCC(=O)O	0.9410142437055697	Iwata	logCL
O=C(O)[C@@](N)(Cc1cc(O)c(O)cc1)C	0.47348697006456836	Iwata	logCL
O=C1C(Cn2c(C)ncc2)CCc2n(C)c3c(c12)cccc3	0.7558748556724915	Iwata	logCL
Oc1c2[C@H]3[C@H](C(C)(C)Oc2cc(CCCCC)c1)CCC(C)=C3	0.505149978319906	Iwata	logCL
CN1Cc2c(C(c3ccccc3)OCC1)cccc2	1.0791812460476249	Iwata	logCL
O=C(NO)N	0.13830269816628146	Iwata	logCL
O=C1C(N2C(=O)c3c(C2=O)cccc3)CCC(=O)N1	0.5314789170422551	Iwata	logCL
Clc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)c(OC)cc1	-0.08884239126002341	Iwata	logCL
O=[N+]([O-])c1cc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OC)ccc1	1.359835482339888	Iwata	logCL
O=C(N)c1c(N=NN(C)C)[nH]cn1	0.414973347970818	Iwata	logCL
Clc1cc(N2CCNCC2)ccc1	0.785329835010767	Iwata	logCL
[SH0](=O)(Cc1c(C)c(OCC(F)(F)F)ccn1)c1[nH]c2c(n1)cccc2	0.6434526764861874	Iwata	logCL
Fc1c(F)cc(C[C@@H](N)C2CCN(C(=O)C3=C(C)n4nc(C)cc4N=C3)CC2)c(F)c1	0.5314789170422551	Iwata	logCL
Fc1ccc([C@H]2[C@H](COc3cc4OCOc4cc3)CNCC2)cc1	1.255272505103306	Iwata	logCL
Clc1ccc(S(=O)(=O)NC(=O)NCCC)cc1	-1.3690638809358084	Iwata	logCL
O(C[C@@H](O)CNC(C)(C)C)c1c(N2CCOCC2)nsn1	0.9111576087399766	Iwata	logCL
S(c1scc(-c2cc[n+](C)cc2)n1)C1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N\OCC)/c3nc(NP(=O)(O)O)sn3)[C@H]2SC1		Iwata	logCL
O=C(O[C@@H]1[C@@H]2[C@@H](CC[C@H]3OC(=O)C[C@H](O)C3)[C@@H](C)C=CC2=C[C@H](C)C1)[C@H](CC)C	0.8466463285771175	Iwata	logCL
Clc1ccc(C(CCN(C)C)c2ncccc2)cc1	0.38021124171160603	Iwata	logCL
O(C)c1cc(NC(CCCN)C)c2ncccc2c1	0.7634279935629372	Iwata	logCL
[O-][n+]1c(N)n[n+]([O-])c2c1cccc2	0.9493900066449128	Iwata	logCL
O=C(O)C1CCC(C#N)(c2cc(OC3CCCC3)c(OC)cc2)CC1	-0.3010299956639812	Iwata	logCL
O=C(OCC(O)(C)C)N1CCN(c2nc(N)c3c(c(OC)c(OC)c(OC)c3)n2)CC1	-0.017728766960431602	Iwata	logCL
ClCCN(CCCl)c1ccc(CCCC(=O)O)cc1	0.4471580313422192	Iwata	logCL
O=[N+]([O-])c1cc(C2C(C(=O)OC)=C(C#N)NC(C)=C2C(=O)OC(C)C)ccc1	1.3010299956639813	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\3/C(=O)N([C@H]4CNCC4)CC/3)CS[C@H]12)/C(=N\O)/c1nc(N)sn1	0.17609125905568124	Iwata	logCL
O=C(Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1)N(C)C	1.255272505103306	Iwata	logCL
O=C(Nc1ncccc1)C=1N(C)S(=O)(=O)c2c(C=1O)cccc2		Iwata	logCL
O=C(O)[C@H]1C(C)(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N12	0.7993405494535817	Iwata	logCL
O=C(Nc1noc(C)c1)C=1N(C)S(=O)(=O)c2c(C=1O)cccc2	-1.1106982974936896	Iwata	logCL
S(=O)(=O)(Nc1ccc(C(O)CCCN(CCCCCCC)CC)cc1)C	1.4065401804339552	Iwata	logCL
O=C(N)C(CCn1c(C)ncc1)(c1ccccc1)c1ccccc1		Iwata	logCL
O=C(OC)c1n2c(C(=C3CCN(CCc4ccc(OCc5nc6c(cc5)cccc6)cc4)CC3)c3c(cccc3)CC2)nc1		Iwata	logCL
Oc1cc2c(N(CCCN(C)C)c3c(cccc3)CC2)cc1	0.9637878273455552	Iwata	logCL
O=C(OCCCCCC)/N=C(\N)/c1ccc(NCc2n(C)c3c(n2)cc(C(=O)N(CCC(=O)OCC)c2ncccc2)cc3)cc1		Iwata	logCL
O=C(Oc1cc([N+](C)(C)C)ccc1)N(C)C	0.8692317197309762	Iwata	logCL
S(=O)(=O)(NCCCCn1c(CC)nc2c(N)nc3c(c12)cccc3)C	0.8864907251724818	Iwata	logCL
O(CC)c1c(OCC)ccc(/C=C/2\NCCc3c\2cc(OCC)c(OCC)c3)c1	0.5440680443502757	Iwata	logCL
O=C(O[C@H]1[C@](O)(C(=O)OC)[C@@H]2N(C)c3c(cc(c(OC)c3)[C@]3(C(=O)OC)c4[nH]c5c(c4CN4CC(CC)=C[C@@H](C3)C4)cccc5)[C@@]32[C@@H]2[C@@]1(CC)C=CCN2CC3)C	1.2612628687924936	Iwata	logCL
N(CCC1=C([C@@H](C)c2nccnc2)c2c(cccc2)C1)(C)C	0.4623979978989561	Iwata	logCL
O(CC(N)C)c1c(C)cccc1C	0.919078092376074	Iwata	logCL
O=C(N)C1(N2CCCCC2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1	0.8920946026904804	Iwata	logCL
O([C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@H](N)CC[C@@H](CN)O2)[C@@H](N)C[C@H]1N)[C@@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](CO)O1	-0.09691001300805639	Iwata	logCL
Fc1c(N2CC(C)NCC2)c(F)cc2C(=O)C(C(=O)O)=CN(CC)c12		Iwata	logCL
Clc1c(OC)cc(OC)c2C(=O)[C@@]3([C@H](C)CC(=O)C=C3OC)Oc12		Iwata	logCL
Fc1c(-c2ccccc2)ccc(C(C(=O)O)C)c1		Iwata	logCL
N(CCc1c([C@@H](C)c2ncccc2)c2c(s1)cccc2)(C)C	0.704722333253682	Iwata	logCL
O=C(OC1C[C@@H]2N(C)[C@H](C1)CC2)c1c2c([nH]c1)cccc2	1.414973347970818	Iwata	logCL
Clc1cc2N(CCCN3CCN(CCO)CC3)c3c(Sc2cc1)cccc3	1.4313637641589874	Iwata	logCL
O=C1Nc2c(C)ccnc2N(C2CC2)c2ncccc12	-0.5228787452803376	Iwata	logCL
O=C(O)[C@H]1C(C)(C)S[C@@H]2[C@H](NC(=O)c3c(OC)cccc3OC)C(=O)N12	0.8195439355418687	Iwata	logCL
O=C1OC2(CN1)CCN(CCc1ccccc1)CC2	0.3010299956639812	Iwata	logCL
O=C(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)CCC1)C)CCc1ccccc1	0.07918124604762482	Iwata	logCL
O=C1N(C)[C@H](c2cnccc2)CC1	-0.06550154875643228	Iwata	logCL
Clc1c(C2=NC(O)C(=O)Nc3c2cc(Cl)cc3)cccc1	0.00860017176191757	Iwata	logCL
P(=O)(O)(CC(=O)N1[C@H](C(=O)O)C[C@@H](C2CCCCC2)C1)CCCCc1ccccc1	-0.494850021680094	Iwata	logCL
O[C@@H](CNC)CC12c3c(cccc3)C(c3c1cccc3)CC2	1.0863598306747482	Iwata	logCL
Fc1ccc(Cc2c(O)ccc(Oc3c(C)cc(N4C(=O)NC(=O)C=N4)cc3C)c2)cc1	1.1760912590556813	Iwata	logCL
Clc1c(OC2CN(c3n(c(COC)nn3)-c3cnc(OC)cc3)C2)ccc(F)c1	0.9030899869919435	Iwata	logCL
Clc1ccc(C(=O)n2c(C)c(CC(=O)O)c3c2ccc(OC)c3)cc1	0.146128035678238	Iwata	logCL
SC[C@H](NC(=O)C)C(=O)O	0.4913616938342727	Iwata	logCL
Oc1cc([N+](CC)(C)C)ccc1	0.9822712330395684	Iwata	logCL
O=C(N)c1nccnc1		Iwata	logCL
O=C(N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)COc1ccccc1	0.8044801891059927	Iwata	logCL
O=C(N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)C)CS[C@H]12)Cc1sccc1	0.25527250510330607	Iwata	logCL
[O-][N+](CCC=C1c2c(cccc2)CCc2c1cccc2)(C)C		Iwata	logCL
O=C(Oc1cc([C@@H](N(C)C)C)ccc1)N(CC)C	1.0791812460476249	Iwata	logCL
O=C(NN)c1ccncc1	0.8692317197309762	Iwata	logCL
O=C(Nc1cc(C(=O)C)c(OCC(O)CNC(C)C)cc1)CCC	0.9696488404807252	Iwata	logCL
N(C(CN1c2c(Sc3c1cccc3)cccc2)C)(C)C	1.146128035678238	Iwata	logCL
S(=O)(=O)(C)c1c(-n2cccc2)cc(C)c(C(=O)N=C(N)N)c1	0.9138138523837167	Iwata	logCL
N(CC(CN1c2c(cccc2)CCc2c1cccc2)C)(C)C	1.2041199826559248	Iwata	logCL
O=C1Oc2c(cccc2)C=C1	1.2304489213782739	Iwata	logCL
O(CC(O)CNC(C)(C)C)c1c2c(ccc1)C[C@@H](O)[C@@H](O)C2	0.3891660843645325	Iwata	logCL
S(CCN/C(/NC)=C/[N+](=O)[O-])Cc1nc(CN(C)C)sc1	0.9017306917292187	Iwata	logCL
CN1CC2N(c3ncccc3Cc3c2cccc3)CC1	0.8989992708897891	Iwata	logCL
O=C(N(c1ccccc1)C1(COC)CCN(CCc2sccc2)CC1)CC	1.175366831061349	Iwata	logCL
S=P(N1CC1)(N1CC1)N1CC1	0.8260748027008264	Iwata	logCL
O=C1N(C)C(=O)OC1(C)C	-0.1549019599857432	Iwata	logCL
O=C1C(CC)(C)CC(=O)N1	-0.8239087409443188	Iwata	logCL
Clc1ccc(C(CN)CC(=O)O)cc1	0.43456890403419873	Iwata	logCL
O=C(O)c1c(O)ccc(N)c1	0.9684829485539351	Iwata	logCL
Clc1c(CCN2CCN(c3nsc4c3cccc4)CC2)cc2c(NC(=O)C2)c1	0.7054360465852505	Iwata	logCL
Clc1cc2N(CCCN(C)C)c3c(Sc2cc1)cccc3	1.1341771075767664	Iwata	logCL
O=C(O[C@@]1(C(=O)C)[C@]2(C)[C@H]([C@H]3[C@@H]([C@]4(C)C([C@@H](C)C3)=CC(=O)CC4)CC2)CC1)C		Iwata	logCL
O(CCNCC(O)COc1c2c([nH]c3c2cccc3)ccc1)c1c(OC)cccc1	0.8907003976988751	Iwata	logCL
Clc1cc2N(CCCN3CCN(C)CC3)c3c(Sc2cc1)cccc3	1.2041199826559248	Iwata	logCL
Clc1c(Cl)cccc1-c1c(N)nc(N)nn1	-0.2218487496163564	Iwata	logCL
O=C1N(C)C(=O)NC(=O)C1(C(C#CCC)C)CC=C	1.0791812460476249	Iwata	logCL
Clc1cc2nc3c(c(NC(CCCN(CC)CC)C)c2cc1)cc(OC)cc3	0.7075701760979364	Iwata	logCL
O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1	0.4022613824546802	Iwata	logCL
Clc1cc2nccc(NC(CCCN(CC)CC)C)c2cc1	0.5471591213274175	Iwata	logCL
O(C)c1cc2c(/C=N/NC(=N)NCCCCC)c[nH]c2cc1	1.252853030979893	Iwata	logCL
S(C[C@H](N)C(=O)O)CCCC/C=C(\NC(=O)[C@@H]1C(C)(C)C1)/C(=O)O	0.36172783601759284	Iwata	logCL
O=C(OC1CCN(c2nncc3c2cc(OC)c(OC)c3)CC1)NCC	1.5797835966168101	Iwata	logCL
O=C(O)[C@H]1/C(=C/CO)/O[C@H]2N1C(=O)C2	0.443262987458695	Iwata	logCL
O=C(O)[C@H](NC(=O)C1CCC(C(C)C)CC1)Cc1ccccc1	0.24919835739111287	Iwata	logCL
Clc1cc2nc(/C=C/c3cc([C@H](SCC4(CC(=O)O)CC4)CCc4c(C(O)(C)C)cccc4)ccc3)ccc2cc1	-0.1643094285075744	Iwata	logCL
O=C1[C@@H]2Oc3c(O)ccc4c3[C@@]32[C@](O)([C@H](N(CC=C)CC3)C4)CC1	1.374137094060581	Iwata	logCL
[O-][n+]1c(N)nc(N2CCCCC2)cc1N		Iwata	logCL
O=C(O)/C(=C/c1n(Cc2ccc(C(=O)O)cc2)c(CCCC)nc1)/Cc1sccc1	0.23678909940929294	Iwata	logCL
O=C(O)[C@H]1C(C)(C)S[C@@H]2[C@H](NC(=O)c3c(C)onc3-c3ccccc3)C(=O)N12	0.7993405494535817	Iwata	logCL
ClCCN(CCCl)c1ccc(C[C@H](N)C(=O)O)cc1	0.8450980400142568	Iwata	logCL
O=C(Nc1ncc(C)cc1)c1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cc(C(=O)Nc4ncc(C)cc4)ccc3)C2=O)ccc1	1.823930455125564	Iwata	logCL
Clc1c(CC(=O)NC(=N)N)c(Cl)ccc1	0.6812412373755872	Iwata	logCL
Clc1ccc(C(=O)NCCN2CCOCC2)cc1	1.0	Iwata	logCL
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1	-0.07572071393811836	Iwata	logCL
OC(CNCC)c1cc(O)ccc1	1.1139433523068367	Iwata	logCL
c1(C2(c3ccccc3)C(C3=NCCN3)C2)ccccc1	0.8779469516291882	Iwata	logCL
O=C(O)C1CCC(CN)CC1	0.38021124171160603	Iwata	logCL
Clc1c(S(=O)(=O)N)cc2C(=O)N(c3c(C)cccc3)C(C)Nc2c1	0.05115252244738129	Iwata	logCL
Clc1c(-c2c(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c(C)on2)cccc1	0.04139268515822508	Iwata	logCL
Clc1c(-c2c(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c(C)on2)c(Cl)ccc1	0.2304489213782739	Iwata	logCL
Fc1c(N2CCNCC2)cc2N(CC)C=C(C(=O)O)C(=O)c2c1		Iwata	logCL
P(=O)(O)(O)C(P(=O)(O)O)(O)Cc1cnccc1	0.07003786660775509	Iwata	logCL
Clc1c(F)ccc(Nc2ncnc3c2cc(OCCCN2CCOCC2)c(OC)c3)c1	1.0791812460476249	Iwata	logCL
O=C(Oc1cc2[C@@]3(C)[C@@H](N(C)c2cc1)N(C)CC3)NC	1.1383026981662814	Iwata	logCL
Nc1c2c(nc3c1CCCC3)cccc2	1.7481880270062005	Iwata	logCL
O=C(O)C(C)c1ccc(C(=O)c2sccc2)cc1	-0.12784372725170717	Iwata	logCL
S(=O)(=O)(Nc1c(Oc2c(OC)cccc2)c(OCCO)nc(-c2ncccn2)n1)c1ccc(C(C)(C)C)cc1	0.4623979978989561	Iwata	logCL
O=C(OCC(COC(=O)N)(CCC)C)N	-0.2218487496163564	Iwata	logCL
Oc1c2O[C@H]3C(=C)CC[C@@]4(O)[C@@H]5N(CC6CC6)CC[C@]34c2c(cc1)C5	1.1760912590556813	Iwata	logCL
P(=O)(O)(O)C(P(=O)(O)O)(O)CCN(CCCCC)C	0.25527250510330607	Iwata	logCL
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO	1.1139433523068367	Obach	logCL
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC	1.146128035678238	Obach	logCL
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO	0.3424226808222063	Obach	logCL
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C	1.0	Obach	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C	0.6020599913279624	Obach	logCL
CC(=O)NC1=CC=C(C=C1)O	0.6989700043360189	Obach	logCL
CC(=O)NC1=NN=C(S1)S(=O)(=O)N	-0.18708664335714442	Obach	logCL
CC(=O)NC(CS)C(=O)O	0.4913616938342727	Obach	logCL
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C	0.7323937598229685	Obach	logCL
CC(=O)OC1=CC=CC=C1C(=O)O	1.0791812460476249	Obach	logCL
C1C(ON=C1Cl)C(C(=O)O)N	-0.16115090926274472	Obach	logCL
C1=NC2=C(N1COCCO)N=C(NC2=O)N	0.6720978579357175	Obach	logCL
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N	0.568201724066995	Obach	logCL
CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	0.7923916894982539	Obach	logCL
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O	0.8920946026904804	Obach	logCL
C=CC[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)CC=C)C1=CC=CC=C16	0.11394335230683679	Obach	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC	0.5910646070264992	Obach	logCL
CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC	0.7708520116421442	Obach	logCL
COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2	0.8195439355418687	Obach	logCL
C1=NNC2=C1C(=O)NC=N2	1.0413926851582251	Obach	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3	0.9493900066449128	Obach	logCL
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C	0.9395192526186185	Obach	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	-0.13076828026902382	Obach	logCL
CC(C)NCC(COC1=CC=CC=C1CC=C)O	1.1760912590556813	Obach	logCL
C1C2CC3CC1CC(C2)(C3)N	0.6812412373755872	Obach	logCL
CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)O)C	0.7993405494535817	Obach	logCL
C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N	0.04139268515822508	Obach	logCL
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	0.8129133566428556	Obach	logCL
C(CCC(=O)O)CCN	0.3979400086720376	Obach	logCL
C1=CC(=C(C=C1N)C(=O)O)O	0.9684829485539351	Obach	logCL
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I	0.2787536009528289	Obach	logCL
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	0.785329835010767	Obach	logCL
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	0.8450980400142568	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C	0.5185139398778874	Obach	logCL
CC(CC1=CC=CC=C1)N	0.9867717342662449	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C	0.4471580313422192	Obach	logCL
C1=CN=CC=C1C2=CNC(=O)C(=C2)N	0.9493900066449128	Obach	logCL
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42	0.6334684555795865	Obach	logCL
CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC	0.414973347970818	Obach	logCL
CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	1.0791812460476249	Obach	logCL
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O	-0.6777807052660807	Obach	logCL
CC1=CC(=O)N(N1C)C2=CC=CC=C2	-0.1938200260161128	Obach	logCL
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F	0.0	Obach	logCL
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C	0.6989700043360189	Obach	logCL
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl	-0.08092190762392612	Obach	logCL
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C	3.0293837776852097	Obach	logCL
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O	0.3979400086720376	Obach	logCL
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2	0.9684829485539351	Obach	logCL
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	-0.8239087409443188	Obach	logCL
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C	0.7558748556724915	Obach	logCL
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3	0.8808135922807914	Obach	logCL
C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N	1.5440680443502757	Obach	logCL
CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C	-0.8538719643217619	Obach	logCL
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl	0.9542425094393249	Obach	logCL
CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl	0.38021124171160603	Obach	logCL
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	1.0	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)O)C	0.3979400086720376	Obach	logCL
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N	0.17609125905568124	Obach	logCL
CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O	1.255272505103306	Obach	logCL
CC(C)(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)C(CC4CCCC4)CN(C=O)O	0.4913616938342727	Obach	logCL
CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC	1.5563025007672873	Obach	logCL
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F	0.919078092376074	Obach	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	0.4471580313422192	Obach	logCL
C1=CC=C(C=C1)C(=O)NCCC(=O)O	0.9637878273455552	Obach	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O	0.5314789170422551	Obach	logCL
CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O	0.7403626894942439	Obach	logCL
CC1C2C(C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])C(C)O	0.3979400086720376	Obach	logCL
CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O	1.0	Obach	logCL
C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O	1.0791812460476249	Obach	logCL
CCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C	1.2304489213782739	Obach	logCL
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O	0.568201724066995	Obach	logCL
C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5	0.9822712330395684	Obach	logCL
B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	1.2787536009528289	Obach	logCL
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC	0.3222192947339193	Obach	logCL
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3	-0.2924298239020636	Obach	logCL
C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O	0.11394335230683679	Obach	logCL
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br	1.1139433523068367	Obach	logCL
CC1=NN=C2N1C3=C(C=C(S3)Br)C(=NC2)C4=CC=CC=C4Cl	0.3010299956639812	Obach	logCL
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C	1.3010299956639813	Obach	logCL
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC	0.7481880270062004	Obach	logCL
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O	0.9493900066449128	Obach	logCL
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2	0.3979400086720376	Obach	logCL
CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC	0.6812412373755872	Obach	logCL
CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	0.6334684555795865	Obach	logCL
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O	1.2787536009528289	Obach	logCL
CS(=O)(=O)OCCCCOS(=O)(=O)C	0.38021124171160603	Obach	logCL
C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	1.6127838567197355	Obach	logCL
CN1C=NC2=C1C(=O)N(C(=O)N2C)C	0.146128035678238	Obach	logCL
CC(CS)C(=O)N1CCCC1C(=O)O	1.0791812460476249	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C	0.2787536009528289	Obach	logCL
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	0.17609125905568124	Obach	logCL
C(CCl)NC(=O)N(CCCl)N=O	1.8920946026904804	Obach	logCL
C1=C(N=C(S1)N)C(=NOCC(=O)O)C(=O)NC2C(N(C2=O)S(=O)(=O)O)COC(=O)N	0.17609125905568124	Obach	logCL
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O	0.8920946026904804	Obach	logCL
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O	-0.8538719643217619	Obach	logCL
CN(C)N=NC1=CC=C(C=C1)C(=O)O	0.11394335230683679	Obach	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	0.3979400086720376	Obach	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O	0.5563025007672873	Obach	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4	0.5185139398778874	Obach	logCL
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	-0.05060999335508721	Obach	logCL
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O	0.414973347970818	Obach	logCL
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]	0.3424226808222063	Obach	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	0.2787536009528289	Obach	logCL
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O	0.0	Obach	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	0.17609125905568124	Obach	logCL
CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O	-0.21467016498923297	Obach	logCL
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	0.11394335230683679	Obach	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O	-0.1804560644581313	Obach	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	0.43136376415898736	Obach	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O	-0.37675070960209955	Obach	logCL
COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3	0.5563025007672873	Obach	logCL
CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-]	0.2787536009528289	Obach	logCL
CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	0.4623979978989561	Obach	logCL
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]	0.38021124171160603	Obach	logCL
CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O	0.3222192947339193	Obach	logCL
C1CNCC1N2CCC(=CC3=C(N4C(C(C4=O)NC(=O)C(=NO)C5=NSC(=N5)N)SC3)C(=O)O)C2=O	0.17609125905568124	Obach	logCL
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O	-0.585026652029182	Obach	logCL
CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	0.3424226808222063	Obach	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O	0.5910646070264992	Obach	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4	0.5185139398778874	Obach	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O	0.25527250510330607	Obach	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O	0.43136376415898736	Obach	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O	0.5185139398778874	Obach	logCL
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O	0.4623979978989561	Obach	logCL
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCNC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C	0.07918124604762482	Obach	logCL
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	0.4471580313422192	Obach	logCL
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	0.38021124171160603	Obach	logCL
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O	0.04139268515822508	Obach	logCL
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O	-0.431798275933005	Obach	logCL
CC1=C(SC=N1)CCCl	1.5185139398778875	Obach	logCL
C1CN(CCN1)C2=CC(=CC=C2)Cl.Cl.Cl	0.785329835010767	Obach	logCL
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	0.6127838567197355	Obach	logCL
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	0.3979400086720376	Obach	logCL
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	1.2041199826559248	Obach	logCL
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl	-1.3467874862246563	Obach	logCL
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O	0.3010299956639812	Obach	logCL
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O	0.17609125905568124	Obach	logCL
C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4	0.9344984512435677	Obach	logCL
CCC#CCC(C)C(C#CC1C(CC2C1CC(=CCOCC(=O)O)C2)O)O	0.5797835966168101	Obach	logCL
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	0.3979400086720376	Obach	logCL
CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C	0.36172783601759284	Obach	logCL
COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3	-0.3010299956639812	Obach	logCL
CC1=C(N=CN1)CSCCNC(=NC)NC#N	0.9084850188786497	Obach	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	0.919078092376074	Obach	logCL
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C	0.7323937598229685	Obach	logCL
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	0.6334684555795865	Obach	logCL
C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	1.146128035678238	Obach	logCL
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	0.8633228601204559	Obach	logCL
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O	0.4913616938342727	Obach	logCL
CCCC(=O)OCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	2.1522883443830563	Obach	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O	0.6720978579357175	Obach	logCL
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl	0.6532125137753437	Obach	logCL
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl	0.9138138523837167	Obach	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl	-0.05551732784983137	Obach	logCL
C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl	0.6020599913279624	Obach	logCL
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42	0.3979400086720376	Obach	logCL
CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3	1.1139433523068367	Obach	logCL
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC	1.505149978319906	Obach	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O	1.1760912590556813	Obach	logCL
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	0.3222192947339193	Obach	logCL
CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6	0.47712125471966244	Obach	logCL
CN1C(CCC1=O)C2=CN=CC=C2	-0.05060999335508721	Obach	logCL
C1CNP(=O)(OC1)N(CCCl)CCCl	0.04139268515822508	Obach	logCL
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	0.8750612633917001	Obach	logCL
CN(C)N=NC1=C(NC=N1)C(=O)N	0.414973347970818	Obach	logCL
CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O	-2.0	Obach	logCL
CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)CC3=NC(=CO3)C2=O)O)C)C)C(C)C	1.2041199826559248	Obach	logCL
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]	-0.36653154442041347	Obach	logCL
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	-0.3187587626244128	Obach	logCL
CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C	-0.7958800173440752	Obach	logCL
C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5	1.0791812460476249	Obach	logCL
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O	2.113943352306837	Obach	logCL
C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl	-0.769551078621726	Obach	logCL
CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O	0.04139268515822508	Obach	logCL
CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C	0.7558748556724915	Obach	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)OC)O)C)OC(=O)C	0.9344984512435677	Obach	logCL
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31	1.0413926851582251	Obach	logCL
C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3	-0.9208187539523752	Obach	logCL
C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N	0.146128035678238	Obach	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	0.5185139398778874	Obach	logCL
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F	1.0413926851582251	Obach	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl	0.568201724066995	Obach	logCL
CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl	1.0413926851582251	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC	0.9684829485539351	Obach	logCL
CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	0.4913616938342727	Obach	logCL
CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OC3CC4(C(C5C(C(CC6C5(CO6)OC(=O)C)O)(C(=O)C(C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O	-1.6020599913279623	Obach	logCL
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I	0.2304489213782739	Obach	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3	-0.42021640338318983	Obach	logCL
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl	-1.2218487496163564	Obach	logCL
C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N	-0.09691001300805639	Obach	logCL
C(C(=O)O)(Cl)Cl	0.724275869600789	Obach	logCL
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl	0.5440680443502757	Obach	logCL
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.3010299956639812	Obach	logCL
C1CC(OC1CO)N2C=NC3=C2N=CNC3=O	1.0413926851582251	Obach	logCL
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O	-1.0	Obach	logCL
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O	-1.3665315444204136	Obach	logCL
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	0.2304489213782739	Obach	logCL
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O	0.6232492903979004	Obach	logCL
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O	1.462397997898956	Obach	logCL
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC	1.1139433523068367	Obach	logCL
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2	0.9912260756924949	Obach	logCL
CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O	1.0413926851582251	Obach	logCL
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O	0.6812412373755872	Obach	logCL
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C	-0.045757490560675115	Obach	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	1.146128035678238	Obach	logCL
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C	0.7160033436347992	Obach	logCL
C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54	2.255272505103306	Obach	logCL
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O	0.9777236052888477	Obach	logCL
C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C	0.43136376415898736	Obach	logCL
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4	0.724275869600789	Obach	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC	0.2041199826559248	Obach	logCL
CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31	1.146128035678238	Obach	logCL
CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O	1.0413926851582251	Obach	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	1.1760912590556813	Obach	logCL
CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	-0.3372421683184259	Obach	logCL
CCCCCCCCOCCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)OCCOCCCCCCCC	1.146128035678238	Obach	logCL
CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC	0.5440680443502757	Obach	logCL
CC[N+](C)(C)C1=CC(=CC=C1)O	0.9822712330395684	Obach	logCL
CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4	0.724275869600789	Obach	logCL
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C	1.3424226808222062	Obach	logCL
CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O	0.2041199826559248	Obach	logCL
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC	1.1139433523068367	Obach	logCL
C1CN(CC2=CC(=NN=C21)NN)C(=O)C3=CC=CC=C3	1.1139433523068367	Obach	logCL
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2	0.9138138523837167	Obach	logCL
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O	0.7323937598229685	Obach	logCL
CCCN1C2=C(C(=O)NC1=O)NC=N2	0.6020599913279624	Obach	logCL
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N	1.0791812460476249	Obach	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	1.3010299956639813	Obach	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C	-0.4814860601221125	Obach	logCL
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O	0.2787536009528289	Obach	logCL
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N	0.07918124604762482	Obach	logCL
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C	1.1760912590556813	Obach	logCL
CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC	-1.8860566476931633	Obach	logCL
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O	-0.3467874862246563	Obach	logCL
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O	0.7481880270062004	Obach	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O	2.462397997898956	Obach	logCL
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O	1.4771212547196624	Obach	logCL
CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl	-0.026872146400301365	Obach	logCL
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	0.9409431702282973	Obach	logCL
CCC(CO)NCCNC(CC)CO	1.0	Obach	logCL
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O	0.8450980400142568	Obach	logCL
CC12CCC3C(C1CCC2(C#C)OS(=O)(=O)O)CCC4=C3C=CC(=C4)O	0.11394335230683679	Obach	logCL
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O	0.6720978579357175	Obach	logCL
CCNCC(C1=CC(=CC=C1)O)O	1.146128035678238	Obach	logCL
CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2	1.1139433523068367	Obach	logCL
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	-0.3010299956639812	Obach	logCL
CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C	-0.10237290870955855	Obach	logCL
CCC(C1=C(C(=O)N2CC3=C4C(CCC5=C4C(=CC(=C5C)F)N=C3C2=C1)N)CO)(C(=O)O)O	-0.017728766960431602	Obach	logCL
C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N	0.8195439355418687	Obach	logCL
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	1.0413926851582251	Obach	logCL
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O	1.462397997898956	Obach	logCL
CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC	1.462397997898956	Obach	logCL
C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3	0.414973347970818	Obach	logCL
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3	0.6720978579357175	Obach	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C	0.38021124171160603	Obach	logCL
CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O	0.785329835010767	Obach	logCL
C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F	0.6901960800285137	Obach	logCL
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F	0.38021124171160603	Obach	logCL
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.38021124171160603	Obach	logCL
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	-0.5086383061657274	Obach	logCL
C1=NC(=O)NC(=C1F)N	0.3010299956639812	Obach	logCL
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N	0.505149978319906	Obach	logCL
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C	1.2041199826559248	Obach	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F	0.146128035678238	Obach	logCL
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O	0.11394335230683679	Obach	logCL
C1=C(C(=O)NC(=O)N1)F	1.414973347970818	Obach	logCL
CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N	0.2041199826559248	Obach	logCL
CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF	1.2304489213782739	Obach	logCL
CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F	1.2041199826559248	Obach	logCL
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.7634279935629372	Obach	logCL
C(=O)(O)P(=O)(O)O	0.3222192947339193	Obach	logCL
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OP(=O)(O)O	0.11394335230683679	Obach	logCL
CC1C(O1)P(=O)(O)O	0.3010299956639812	Obach	logCL
C1CCC(CC1)C2CC(N(C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O	-0.494850021680094	Obach	logCL
CC(C=CC1CC=CC(=O)O1)(C(CC(C=CC=CC=CCO)O)OP(=O)(O)O)O	0.07918124604762482	Obach	logCL
CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N	0.3979400086720376	Obach	logCL
C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl	0.2041199826559248	Obach	logCL
C1CCC(CC1)(CC(=O)O)CN	0.2304489213782739	Obach	logCL
COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O.[Gd]	0.07918124604762482	Obach	logCL
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O	0.7481880270062004	Obach	logCL
C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N	0.6627578316815741	Obach	logCL
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	0.4471580313422192	Obach	logCL
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	1.0791812460476249	Obach	logCL
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F	1.505149978319906	Obach	logCL
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)C	-0.721246399047171	Obach	logCL
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	0.0	Obach	logCL
CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34	-0.09691001300805639	Obach	logCL
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O	0.36172783601759284	Obach	logCL
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O	0.36172783601759284	Obach	logCL
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	-0.3010299956639812	Obach	logCL
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.25181197299379954	Obach	logCL
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.08618614761628333	Obach	logCL
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	0.9590413923210935	Obach	logCL
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl	0.6532125137753437	Obach	logCL
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	0.8920946026904804	Obach	logCL
CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2	0.5314789170422551	Obach	logCL
C1=CC=C2C(=C1)C=NN=C2NN	1.9294189257142926	Obach	logCL
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O	0.7558748556724915	Obach	logCL
C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1	0.9867717342662449	Obach	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4	1.4471580313422192	Obach	logCL
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	1.0413926851582251	Obach	logCL
CN1C(CC(C1=O)O)C2=CN=CC=C2	0.25527250510330607	Obach	logCL
CCC1(CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O)O	1.0791812460476249	Obach	logCL
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O	0.9637878273455552	Obach	logCL
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC	-2.431798275933005	Obach	logCL
C(=O)(N)NO	0.17609125905568124	Obach	logCL
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O	-0.8860566476931632	Obach	logCL
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	0.25527250510330607	Obach	logCL
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	-0.08618614761628333	Obach	logCL
CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	1.414973347970818	Obach	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O	1.380211241711606	Obach	logCL
C1CN=C(N1)C2COC3=CC=CC=C3O2	1.0	Obach	logCL
CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3	0.8061799739838872	Obach	logCL
C1CN(P(=O)(OC1)NCCCl)CCCl	0.04139268515822508	Obach	logCL
CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O	1.2041199826559248	Obach	logCL
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	0.5185139398778874	Obach	logCL
CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O	0.47712125471966244	Obach	logCL
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31	1.1139433523068367	Obach	logCL
C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]	1.0791812460476249	Obach	logCL
CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5	1.255272505103306	Obach	logCL
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]	0.8325089127062363	Obach	logCL
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	0.11394335230683679	Obach	logCL
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43	1.3010299956639813	Obach	logCL
CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C	1.255272505103306	Obach	logCL
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I	0.3010299956639812	Obach	logCL
CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O	0.2787536009528289	Obach	logCL
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I	0.146128035678238	Obach	logCL
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I	0.38021124171160603	Obach	logCL
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5	0.36172783601759284	Obach	logCL
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	0.8450980400142568	Obach	logCL
CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO	2.146128035678238	Obach	logCL
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O	0.11394335230683679	Obach	logCL
C1=CN=CC=C1C(=O)NN	0.8692317197309762	Obach	logCL
CC(C)NCC(C1=CC(=C(C=C1)O)O)O	1.7481880270062005	Obach	logCL
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]	1.4913616938342726	Obach	logCL
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O	0.7923916894982539	Obach	logCL
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O	0.3010299956639812	Obach	logCL
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-1.154901959985743	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC	1.414973347970818	Obach	logCL
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	0.7075701760979364	Obach	logCL
CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NCC(=O)N(CCC(=O)O)CC3=CC(=C(C=C3)OC)OC)OC	1.0413926851582251	Obach	logCL
CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C	1.0	Obach	logCL
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N	0.146128035678238	Obach	logCL
CNC1(CCCCC1=O)C2=CC=CC=C2Cl	1.2787536009528289	Obach	logCL
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O	0.8260748027008264	Obach	logCL
CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O	0.9637878273455552	Obach	logCL
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O	0.2041199826559248	Obach	logCL
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	-0.4559319556497244	Obach	logCL
CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O	0.43136376415898736	Obach	logCL
C1=CC(=C2C3=C1C(=NN3C4=C(C=CC(=O)C4=C2O)O)CNCCO)NCCCN.Cl.Cl	1.255272505103306	Obach	logCL
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O	1.3617278360175928	Obach	logCL
C1CN(CCC1OCC(=O)O)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3=CC=C(C=C3)C(=N)N	0.2787536009528289	Obach	logCL
C1C(OC(S1)CO)N2C=CC(=NC2=O)N	0.6812412373755872	Obach	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F	0.6434526764861874	Obach	logCL
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	-0.24412514432750865	Obach	logCL
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6	0.3010299956639812	Obach	logCL
C1=CC(=C(C=C1CC(C(=O)O)N)O)O	1.3617278360175928	Obach	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.2787536009528289	Obach	logCL
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C	0.9956351945975499	Obach	logCL
CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34	0.25527250510330607	Obach	logCL
CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N	0.5797835966168101	Obach	logCL
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C	1.2041199826559248	Obach	logCL
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O	0.3222192947339193	Obach	logCL
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	0.25527250510330607	Obach	logCL
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O	0.07918124604762482	Obach	logCL
[Li+].[Li+].C(=O)([O-])[O-]	0.11394335230683679	Obach	logCL
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl	0.0	Obach	logCL
CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3	1.2041199826559248	Obach	logCL
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl	0.6020599913279624	Obach	logCL
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl	0.9138138523837167	Obach	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C	0.8573324964312685	Obach	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl	0.0	Obach	logCL
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	1.146128035678238	Obach	logCL
COC1=C(C=C(C=C1)Cl)C2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F	1.1760912590556813	Obach	logCL
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	1.1760912590556813	Obach	logCL
CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O	1.2041199826559248	Obach	logCL
C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O	0.2787536009528289	Obach	logCL
CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-0.9208187539523752	Obach	logCL
CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F	1.662757831681574	Obach	logCL
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl	0.8450980400142568	Obach	logCL
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)(C(=O)CO)O)C)N)O.Cl	0.3979400086720376	Obach	logCL
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2	0.6901960800285137	Obach	logCL
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C	0.8325089127062363	Obach	logCL
CCCC(C)(COC(=O)N)COC(=O)N	-0.2218487496163564	Obach	logCL
CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O	1.4471580313422192	Obach	logCL
C1=NC2=C(N1)C(=S)N=CN2	1.1760912590556813	Obach	logCL
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O	0.5910646070264992	Obach	logCL
CN(C)C(=N)N=C(N)N	0.8692317197309762	Obach	logCL
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	0.2304489213782739	Obach	logCL
CC(CC1=CC=CC=C1)NC	0.6434526764861874	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C	0.8195439355418687	Obach	logCL
CN1C=CNC1=S	0.568201724066995	Obach	logCL
CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C	1.0791812460476249	Obach	logCL
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.3222192947339193	Obach	logCL
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N	0.5440680443502757	Obach	logCL
C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]	1.3424226808222062	Obach	logCL
CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3)C)O	1.3010299956639813	Obach	logCL
COC(=O)C(C1CCCCN1)C2=CC=CC=C2	-0.2596373105057561	Obach	logCL
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O	0.785329835010767	Obach	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OCSC)C)OC(=O)C	0.8061799739838872	Obach	logCL
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl	0.7558748556724915	Obach	logCL
C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C	0.07918124604762482	Obach	logCL
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl	0.146128035678238	Obach	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O	1.1139433523068367	Obach	logCL
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I	0.43136376415898736	Obach	logCL
CC1=NC=C(N1CCO)[N+](=O)[O-]	-0.07058107428570728	Obach	logCL
CC1=C(C(=CC=C1)C)OCC(C)N	0.919078092376074	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C	0.3222192947339193	Obach	logCL
CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F	0.6020599913279624	Obach	logCL
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O	-0.769551078621726	Obach	logCL
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	0.724275869600789	Obach	logCL
C1C(C(C(C(N1CCO)CO)O)O)O	0.2304489213782739	Obach	logCL
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2	0.7923916894982539	Obach	logCL
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C	0.07918124604762482	Obach	logCL
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4	0.9030899869919435	Obach	logCL
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	0.8976270912904415	Obach	logCL
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C	0.7160033436347992	Obach	logCL
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl	1.0	Obach	logCL
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O	-0.16749108729376366	Obach	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O	1.414973347970818	Obach	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)OC6C(C(C(C(O6)C(=O)O)O)O)O	0.3424226808222063	Obach	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O	-0.14266750356873156	Obach	logCL
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	0.38021124171160603	Obach	logCL
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC	1.0413926851582251	Obach	logCL
CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O	0.4623979978989561	Obach	logCL
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.5185139398778874	Obach	logCL
C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O	1.3424226808222062	Obach	logCL
C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O	1.1760912590556813	Obach	logCL
C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O	1.3617278360175928	Obach	logCL
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O	1.7558748556724915	Obach	logCL
C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	0.8061799739838872	Obach	logCL
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C	0.8195439355418687	Obach	logCL
CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O	0.25527250510330607	Obach	logCL
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O	1.146128035678238	Obach	logCL
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl	0.8750612633917001	Obach	logCL
CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3	1.0791812460476249	Obach	logCL
COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N	1.9084850188786497	Obach	logCL
CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	0.9637878273455552	Obach	logCL
CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N	-0.2596373105057561	Obach	logCL
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	-0.5228787452803376	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	1.0413926851582251	Obach	logCL
CN1CCCC1C2=CN=CC=C2	1.255272505103306	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	0.8633228601204559	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	1.1760912590556813	Obach	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	1.1760912590556813	Obach	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	-0.06550154875643228	Obach	logCL
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C	1.3979400086720377	Obach	logCL
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]	0.9867717342662449	Obach	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C	0.9912260756924949	Obach	logCL
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)N(C)C)O.Cl	-0.3979400086720376	Obach	logCL
CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3	1.3424226808222062	Obach	logCL
CCOC(=O)C1(CCC=CC1NC)C2=CC=CC=C2	0.9956351945975499	Obach	logCL
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	1.0	Obach	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.3979400086720376	Obach	logCL
C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6	0.414973347970818	Obach	logCL
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O	0.07918124604762482	Obach	logCL
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC	0.9242792860618817	Obach	logCL
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C	0.7634279935629372	Obach	logCL
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O	0.6812412373755872	Obach	logCL
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.7993405494535817	Obach	logCL
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O	0.04139268515822508	Obach	logCL
C1C(CN(C1=O)CC(=O)N)O	0.25527250510330607	Obach	logCL
CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O	0.7075701760979364	Obach	logCL
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O	0.785329835010767	Obach	logCL
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O	0.3010299956639812	Obach	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	0.8061799739838872	Obach	logCL
C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5	0.414973347970818	Obach	logCL
C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	0.3979400086720376	Obach	logCL
CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C	0.17609125905568124	Obach	logCL
CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(C3)C(=N)C)O	0.414973347970818	Obach	logCL
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC	0.3424226808222063	Obach	logCL
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	1.0413926851582251	Obach	logCL
CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C	-0.05060999335508721	Obach	logCL
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4	1.255272505103306	Obach	logCL
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O	0.3010299956639812	Obach	logCL
C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N	0.9242792860618817	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	0.8388490907372553	Obach	logCL
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N	1.8692317197309762	Obach	logCL
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O	1.3617278360175928	Obach	logCL
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC	-0.3279021420642826	Obach	logCL
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C	1.591064607026499	Obach	logCL
CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O	0.2304489213782739	Obach	logCL
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	1.4313637641589874	Obach	logCL
CCOC1=CC=C(C=C1)NC(=O)C	1.3222192947339193	Obach	logCL
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3	0.7075701760979364	Obach	logCL
CC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC3=CC=CC=C3	0.6232492903979004	Obach	logCL
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	-1.2006594505464183	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	0.8325089127062363	Obach	logCL
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC	1.146128035678238	Obach	logCL
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O	0.8864907251724818	Obach	logCL
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.6020599913279624	Obach	logCL
CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C	0.47712125471966244	Obach	logCL
C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3	0.4913616938342727	Obach	logCL
C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N	0.8920946026904804	Obach	logCL
CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C	0.25527250510330607	Obach	logCL
CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+].[Na+]	-2.3282983359326326	Obach	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O	1.146128035678238	Obach	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC	0.6720978579357175	Obach	logCL
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O	0.4623979978989561	Obach	logCL
CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C	0.3979400086720376	Obach	logCL
CCCNC(C)C(=O)NC1=CC=CC=C1C	1.462397997898956	Obach	logCL
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2	0.7634279935629372	Obach	logCL
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	-0.6020599913279624	Obach	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	1.0	Obach	logCL
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl	1.2041199826559248	Obach	logCL
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O	-0.06550154875643228	Obach	logCL
CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31	1.146128035678238	Obach	logCL
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C	1.146128035678238	Obach	logCL
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O	1.2041199826559248	Obach	logCL
CC(C)C1=C(C(=CC=C1)C(C)C)O	1.5563025007672873	Obach	logCL
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C	1.1760912590556813	Obach	logCL
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	1.0791812460476249	Obach	logCL
CCCC1=CC(=O)NC(=S)N1	0.4913616938342727	Obach	logCL
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)CO)O)O)O	-0.20760831050174613	Obach	logCL
C[N+]1=CC=CC(=C1)OC(=O)N(C)C	0.9822712330395684	Obach	logCL
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	-1.2839966563652008	Obach	logCL
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	1.0413926851582251	Obach	logCL
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC	0.7075701760979364	Obach	logCL
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O	-0.03151705144606486	Obach	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.6020599913279624	Obach	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.2787536009528289	Obach	logCL
CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CSC6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C	1.2041199826559248	Obach	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	0.6020599913279624	Obach	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C	0.9822712330395684	Obach	logCL
CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O	1.6020599913279623	Obach	logCL
CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3	-0.08618614761628333	Obach	logCL
CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C	0.6532125137753437	Obach	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC	1.568201724066995	Obach	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC	0.2304489213782739	Obach	logCL
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O	0.8920946026904804	Obach	logCL
C1CC2=CC=CC=C2OC1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O	0.3424226808222063	Obach	logCL
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N	0.7160033436347992	Obach	logCL
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N	0.17609125905568124	Obach	logCL
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C	0.38021124171160603	Obach	logCL
CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C	0.5440680443502757	Obach	logCL
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.17609125905568124	Obach	logCL
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	0.7323937598229685	Obach	logCL
CC(C(C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O	1.4913616938342726	Obach	logCL
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C	1.0791812460476249	Obach	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3	1.2041199826559248	Obach	logCL
CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C	0.568201724066995	Obach	logCL
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCCC5)N(C)C)O	-0.01322826573375516	Obach	logCL
CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C	0.8692317197309762	Obach	logCL
CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	0.7403626894942439	Obach	logCL
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O	-1.0861861476162833	Obach	logCL
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3	-0.18708664335714442	Obach	logCL
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	1.0413926851582251	Obach	logCL
CC1=C2C(C(=O)C34CC3CC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C(C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)OC(=O)C.O.O	1.146128035678238	Obach	logCL
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O	1.1139433523068367	Obach	logCL
CN(CC(=O)N)C(=O)N(CCCl)N=O	0.9542425094393249	Obach	logCL
CC(C1C2N(C1=O)C(=C(S2)SCCOC(=O)N)C(=O)O)O	0.8750612633917001	Obach	logCL
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4	1.2041199826559248	Obach	logCL
CC(CC1=CC=CC=C1)N(C)CC#C	1.3010299956639813	Obach	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C	0.568201724066995	Obach	logCL
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C	0.9590413923210935	Obach	logCL
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O	0.0	Obach	logCL
C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F	0.568201724066995	Obach	logCL
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N	0.7781512503836436	Obach	logCL
C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5	0.3222192947339193	Obach	logCL
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	0.3010299956639812	Obach	logCL
CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F	0.43136376415898736	Obach	logCL
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O	-0.004364805402450088	Obach	logCL
CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O	0.07918124604762482	Obach	logCL
CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO	0.9138138523837167	Obach	logCL
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O	-0.10790539730951958	Obach	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC	1.1760912590556813	Obach	logCL
CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C	0.7075701760979364	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C	0.2041199826559248	Obach	logCL
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.2596373105057561	Obach	logCL
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.44369749923271273	Obach	logCL
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4	-0.46852108295774486	Obach	logCL
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	-0.5228787452803376	Obach	logCL
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C	1.2787536009528289	Obach	logCL
CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O	-0.11918640771920865	Obach	logCL
CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C	-2.2441251443275085	Obach	logCL
C1CCC2=NC3=CC=CC=C3C(=C2C1)N	1.7481880270062005	Obach	logCL
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	-0.1549019599857432	Obach	logCL
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O	0.6901960800285137	Obach	logCL
CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N	-0.20760831050174613	Obach	logCL
CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC	1.255272505103306	Obach	logCL
CCCCCC=CCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=CC(=C(C(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(C(C2=CC(=C(O3)C=C2)Cl)O)C(=O)N1)N)O)C)O)O)C(=O)OC)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O	-0.6989700043360187	Obach	logCL
CCCCCCCCCCNCCNC1(CC(OC(C1O)C)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)C	-0.6989700043360187	Obach	logCL
CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C	1.146128035678238	Obach	logCL
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C	0.9242792860618817	Obach	logCL
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	0.5563025007672873	Obach	logCL
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	0.8864907251724818	Obach	logCL
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O	-0.721246399047171	Obach	logCL
CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O	0.4913616938342727	Obach	logCL
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3	-1.5228787452803376	Obach	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC	0.04139268515822508	Obach	logCL
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O	0.5314789170422551	Obach	logCL
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C	0.04139268515822508	Obach	logCL
CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O	-1.408935392973501	Obach	logCL
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	0.17609125905568124	Obach	logCL
CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O	0.505149978319906	Obach	logCL
CC(C)C1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NNN=N4)OCCO)OC5=CC=CC=C5OC	0.9084850188786497	Obach	logCL
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O	0.5314789170422551	Obach	logCL
CN1C2=C(C(=O)N(C1=O)C)NC=N2	-0.06550154875643228	Obach	logCL
CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2	1.4471580313422192	Obach	logCL
CCCC(C)C1(C(=O)NC(=S)NC1=O)CC	0.9138138523837167	Obach	logCL
C1CN1P(=S)(N2CC2)N3CC3	0.8260748027008264	Obach	logCL
CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C	0.2041199826559248	Obach	logCL
C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N	0.38021124171160603	Obach	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C	0.25527250510330607	Obach	logCL
CC(C)(C)NCC(=O)NC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C	0.5797835966168101	Obach	logCL
CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2	1.2041199826559248	Obach	logCL
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O	0.9294189257142927	Obach	logCL
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C	-0.2218487496163564	Obach	logCL
C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]	0.9493900066449128	Obach	logCL
CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O	0.6334684555795865	Obach	logCL
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl	1.0413926851582251	Obach	logCL
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N	0.2041199826559248	Obach	logCL
CC1=C(C(=CC=C1)C)NC(=O)C(C)N	0.3424226808222063	Obach	logCL
CC1=CC=CC=C1OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O	1.146128035678238	Obach	logCL
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C	-0.6777807052660807	Obach	logCL
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]	0.2787536009528289	Obach	logCL
CC1=CC(=CC=C1)N2CC(OC2=O)CO	1.0413926851582251	Obach	logCL
CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2	0.9242792860618817	Obach	logCL
CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C)C(=O)N4CCC(C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O	0.2787536009528289	Obach	logCL
CN(C)CCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO	1.4313637641589874	Obach	logCL
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	1.1139433523068367	Obach	logCL
CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C	-0.27572413039921095	Obach	logCL
CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O	1.0791812460476249	Obach	logCL
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O	0.8129133566428556	Obach	logCL
C1CC(CCC1CN)C(=O)O	0.38021124171160603	Obach	logCL
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O	1.4313637641589874	Obach	logCL
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl	0.146128035678238	Obach	logCL
CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C	0.9731278535996987	Obach	logCL
C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N	1.7993405494535817	Obach	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl	0.47712125471966244	Obach	logCL
CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O	-0.017728766960431602	Obach	logCL
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	0.3222192947339193	Obach	logCL
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC	-0.11350927482751812	Obach	logCL
CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C	1.2041199826559248	Obach	logCL
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43	1.414973347970818	Obach	logCL
CCCCC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O	0.2304489213782739	Obach	logCL
C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F	0.146128035678238	Obach	logCL
C1C(OC(O1)CO)N2C=CC(=NC2=O)N	0.38021124171160603	Obach	logCL
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC	0.5314789170422551	Obach	logCL
CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2	0.7781512503836436	Obach	logCL
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC	0.4913616938342727	Obach	logCL
CCCC(CCC)C(=O)O	-0.7958800173440752	Obach	logCL
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O	-0.3098039199714863	Obach	logCL
CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C	0.414973347970818	Obach	logCL
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	0.11394335230683679	Obach	logCL
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	1.1139433523068367	Obach	logCL
CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]	0.6532125137753437	Obach	logCL
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O	1.146128035678238	Obach	logCL
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	1.255272505103306	Obach	logCL
CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O	-0.16749108729376366	Obach	logCL
CCOC1=CC=CC=C1OCC2CNCCO2	0.3222192947339193	Obach	logCL
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	0.4913616938342727	Obach	logCL
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	0.3010299956639812	Obach	logCL
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O	0.3424226808222063	Obach	logCL
CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	1.3010299956639813	Obach	logCL
CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	0.919078092376074	Obach	logCL
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	1.4471580313422192	Obach	logCL
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	-1.2596373105057561	Obach	logCL
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O	0.47712125471966244	Obach	logCL
C1CC(OC1CO)N2C=CC(=NC2=O)N	0.7481880270062004	Obach	logCL
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C	1.2041199826559248	Obach	logCL
CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N	0.2041199826559248	Obach	logCL
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]	1.3979400086720377	Obach	logCL
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54	0.7075701760979364	Obach	logCL
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.3424226808222063	Obach	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3	0.8260748027008264	Obach	logCL
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C	0.6334684555795865	Obach	logCL
C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CC(=O)O)[N+](=O)[O-]	0.724275869600789	Obach	logCL
CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl	0.5185139398778874	Obach	logCL
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)N5C=NN=N5)C)C)O)OC)C)C)C)OC	-0.17392519729917355	Obach	logCL
CNC1CC2OC(C)(C1OC)N1C3=C(C4=C1C=CC=C4)C1=C(C4=C3N2C2=C4C=CC=C2)C(=O)NC1O	-2.431798275933005	GombarHall	logCL
CN1C(=C(O)NC2=CC=CC=N2)C(=O)C2=C(S1(=O)=O)C=CS2	-1.5228787452803376	GombarHall	logCL
CCOC(CC1=CC=C(C=C1)OCCC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)O	-1.408935392973501	GombarHall	logCL
CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1	-1.3467874862246563	GombarHall	logCL
CCC1=C(C(=NC(=N1)N)N)C1=CC=C(Cl)C=C1	-1.2839966563652008	GombarHall	logCL
CC(=O)CC(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O	-1.2596373105057561	GombarHall	logCL
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl	-1.2218487496163564	GombarHall	logCL
CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1	-1.2006594505464183	GombarHall	logCL
CC1=CC(=NO1)NC(=C1C(=O)C2=CC=CC=C2S(=O)(=O)N1C)O	-1.154901959985743	GombarHall	logCL
CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)N(C)C1=CC=CC=C1	-1.0861861476162833	GombarHall	logCL
C1=CC(=C(C=C1C1=C(F)C=C(F)C=C1)C(=O)O)O	-1.0	GombarHall	logCL
C1C(=O)NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1	-0.9208187539523752	GombarHall	logCL
CC1=CN=C(S1)NC(=C1C(=O)C2=CC=CC=C2S(=O)(=O)N1C)O	-0.9208187539523752	GombarHall	logCL
CC1=CC(=C2C3=C1C1=C4C(=C(O)C=C1C)C(=O)C1=C(O)C=C(O)C5=C1C4=C3C1=C5C(=CC(=C1C2=O)O)O)O	-0.8860566476931632	GombarHall	logCL
CCCC1C(=O)N2C3=C(C=CC(=C3)C)N=C(N2C1=O)N(C)C	-0.8538719643217619	GombarHall	logCL
C1CC(CCC1C1=CC=C(Cl)C=C1)C1=C(O)C2=CC=CC=C2C(=O)C1=O	-0.8239087409443188	GombarHall	logCL
CCCC(CCC)C(=O)O	-0.7958800173440752	GombarHall	logCL
C1C(=O)NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1Cl	-0.769551078621726	GombarHall	logCL
CC(C(O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1)S(=O)(=O)C	-0.721246399047171	GombarHall	logCL
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1	-0.6777807052660807	GombarHall	logCL
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	-0.6020599913279624	GombarHall	logCL
CN1C(=NC(=O)C(=O)N1)SCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C2=CSC(=N2)N)SC1)C(=O)O	-0.585026652029182	GombarHall	logCL
CC1=C(ON=C1C)NS(=O)(=O)C1=CC=C(N)C=C1	-0.5228787452803376	GombarHall	logCL
CC1=C2C(=NC=C1)N(C1=C(C=CC=N1)C(=O)N2)C1CC1	-0.5228787452803376	GombarHall	logCL
C1=CC(=C(F)C=C1F)C(O)(CN1C=NC=N1)CN1C=NC=N1	-0.5086383061657274	GombarHall	logCL
C1CCC(CC1)C1CC(N(C1)C(=O)CP(=O)(O)CCCCC1=CC=CC=C1)C(=O)O	-0.494850021680094	GombarHall	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C1C3(C)CCC(=C1)C(=O)O	-0.4814860601221125	GombarHall	logCL
C1=CC=C(C=C1)N1C(=O)C(C(=O)N1C1=CC=CC=C1)CCS(=O)C1=CC=CC=C1	-0.46852108295774486	GombarHall	logCL
C1CN2C(=CC=C2C(=O)C2=CC=CC=C2)C1C(=O)O	-0.4559319556497244	GombarHall	logCL
CC1=CC(=NO1)NS(=O)(=O)C1=CC=C(N)C=C1	-0.44369749923271273	GombarHall	logCL
CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)C1=CC=CC=C1	-0.431798275933005	GombarHall	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C1=CC=CC=C1	-0.42021640338318983	GombarHall	logCL
CN1C(=NN=N1)SCC1=C(N2C(C(C2=O)(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)OC)SC1)C(=O)O	-0.37675070960209955	GombarHall	logCL
C1C(=O)NC(=O)N1N=CC1=CC=C(O1)C1=CC=C(C=C1)N(=O)=O	-0.36653154442041347	GombarHall	logCL
CC1C2C(C(=O)N2C(=C1SC1CC(NC1)C(=O)NC1=CC=CC(=C1)C(=O)O)C(=O)O)C(C)O	-0.3467874862246563	GombarHall	logCL
CC1C2C(O)C3C(C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)C2=C1C=CC=C2O)N(C)C	-0.3372421683184259	GombarHall	logCL
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC	-0.3279021420642826	GombarHall	logCL
C1=CC(=CC=C1N)S(=O)(=O)C1=CC=C(N)C=C1	-0.3187587626244128	GombarHall	logCL
CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(C(C)C)C(=O)O	-0.3098039199714863	GombarHall	logCL
COC1=C(C=C(C=C1)C1(CCC(CC1)C(=O)O)C#N)OC1CCCC1	-0.3010299956639812	GombarHall	logCL
CCC1=C(C)CN(C1=O)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCC(C)CC1	-0.3010299956639812	GombarHall	logCL
C1C(=O)NC2=C(C=C(Br)C=C2)C(=N1)C1=CC=CC=N1	-0.2924298239020636	GombarHall	logCL
CC1=CC(=CC=C1)NC1=C(C=NC=C1)S(=O)(=O)NC(=O)NC(C)C	-0.27572413039921095	GombarHall	logCL
COC(=O)C(C1CCCCN1)C1=CC=CC=C1	-0.2596373105057561	GombarHall	logCL
CCNC1CC(N)C(C(O)C1OC1C(O)C(C(C)(O)CO1)NC)OC1C(N)CC=C(O1)CN	-0.2596373105057561	GombarHall	logCL
C1=CN=C(N=C1)NS(=O)(=O)C1=CC=C(N)C=C1	-0.2596373105057561	GombarHall	logCL
CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	-0.25181197299379954	GombarHall	logCL
C1=CC(=CC=C1C#N)C(C1=CC=C(C=C1)C#N)N1C=NC=N1	-0.24412514432750865	GombarHall	logCL
CCS(=O)(=O)CCN1C(=NC=C1N(=O)=O)C	-0.2218487496163564	GombarHall	logCL
CCCC(C)(COC(=O)N)COC(=O)N	-0.2218487496163564	GombarHall	logCL
CC1=C(SC(=N1)SCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C2=CSC(=N2)N)SC1)C(=O)O)CC(=O)O	-0.21467016498923297	GombarHall	logCL
CCOC1=CC=CC=C1OCCNC(C)CC1=CC(=C(C=C1)OC)S(=O)(=O)N	-0.20760831050174613	GombarHall	logCL
CC1=CC(=O)N(N1C)C1=CC=CC=C1	-0.1938200260161128	GombarHall	logCL
CN(CCOC1=CC=C(C=C1)CC1C(=O)NC(=O)S1)C1=CC=CC=N1	-0.18708664335714442	GombarHall	logCL
CC(=O)NC1=NN=C(S1)S(=O)(=O)N	-0.18708664335714442	GombarHall	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC1=CC=CC=C1CN)C(=O)O)CSC1=NN=NN1CC(=O)O	-0.1804560644581313	GombarHall	logCL
CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC1=NC2=C(C=CC(=C2)Cl)C=C1)SCCC(=O)O	-0.16749108729376366	GombarHall	logCL
CC(C)(O)C1=CC=CC=C1CCC(C1=CC=CC(=C1)C=CC1=NC2=C(C=CC(=C2)Cl)C=C1)SCC1(CC1)CC(=O)O	-0.16749108729376366	GombarHall	logCL
C1C(ON=C1Cl)C(N)C(=O)O	-0.16115090926274472	GombarHall	logCL
CN1C(=NN=N1)SCC1=C(N2C(C(C2=O)(NC(=O)C(C2=CC=C(O)C=C2)C(=O)O)OC)OC1)C(=O)O	-0.14266750356873156	GombarHall	logCL
CC1=NN=C2N1C1=C(C=C(Cl)C=C1)C(=NC2)C1=CC=CC=C1	-0.13076828026902382	GombarHall	logCL
CC(C1=CC=C(C=C1)C(=O)C1=CC=CS1)C(=O)O	-0.11918640771920865	GombarHall	logCL
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC1=CC(=C(C(=C1)OC)OC)OC	-0.11350927482751812	GombarHall	logCL
CC1=NC=C(C=C1)C1=NC=C(Cl)C=C1C1=CC=C(C=C1)S(=O)(=O)C	-0.10237290870955855	GombarHall	logCL
C1CC(N)C(OC1CN)OC1C(N)CC(N)C(C1O)OC1C(O)C(N)C(O)C(O1)CO	-0.09691001300805639	GombarHall	logCL
CCC12CCC3C(C1C=CC2(O)C#C)CCC1=CC(=O)CCC13	-0.09691001300805639	GombarHall	logCL
COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1	-0.08618614761628333	GombarHall	logCL
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	-0.08618614761628333	GombarHall	logCL
CCOC1=CC=CC=C1OC(C1CNCCO1)C1=CC=CC=C1	-0.08618614761628333	GombarHall	logCL
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN1CCN(CC1)C1=C(Cl)C(=CC=C1)Cl	-0.08092190762392612	GombarHall	logCL
CC1=NC=C(N1CCO)N(=O)=O	-0.07058107428570728	GombarHall	logCL
C1C(=O)NC2=C(C=C(C=C2)N(=O)=O)C(=N1)C1=CC=CC=C1	-0.06550154875643228	GombarHall	logCL
CN1C2=C(C(=O)N(C)C1=O)N=CN2	-0.06550154875643228	GombarHall	logCL
C1CCC(CC1)C(O)(CCN1CCCC1)C1=CC=CC=C1	-0.06550154875643228	GombarHall	logCL
C1C(=O)NC2=C(C=C(C=C2)N(=O)=O)C(=N1)C1=CC=CC=C1Cl	-0.05551732784983137	GombarHall	logCL
C1CCC2(C)C(C1=CC=C1CC(O)CC(O)C1)CCC2C(C)C=CC(C)C(C)(C)O	-0.05060999335508721	GombarHall	logCL
CC1=NN=C(S1)SCC1=C(N2C(C(C2=O)NC(=O)CN2C=NN=N2)SC1)C(=O)O	-0.05060999335508721	GombarHall	logCL
CN1C(CCC1=O)C1=CN=CC=C1	-0.05060999335508721	GombarHall	logCL
CC(C)N(CCC(C1=CC=CC=C1)(C1=CC=CC=N1)C(=O)N)C(C)C	-0.045757490560675115	GombarHall	logCL
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O	-0.03151705144606486	GombarHall	logCL
CC12CCC3C(C1CCC2OP(=O)(O)O)CCC1=C3C=CC(=C1)OC(=O)N(CCCl)CCCl	-0.026872146400301365	GombarHall	logCL
CC1=C2CCC(N)C3=C2C(=NC2=C3CN3C2=CC(=C(CO)C3=O)C(O)(CC)C(=O)O)C=C1F	-0.017728766960431602	GombarHall	logCL
CC(C)(O)COC(=O)N1CCN(CC1)C1=NC2=C(C(=C(C=C2C(=N1)N)OC)OC)OC	-0.017728766960431602	GombarHall	logCL
CC1(O)C2CC3C(C(=O)C(=C(O)NCN4CCCC4)C(=O)C3(O)C(=O)C2=C(O)C2=C1C=CC=C2O)N(C)C	-0.01322826573375516	GombarHall	logCL
CC1CC(=O)C2(O)C(O1)OC1C(O)C(C(O)C(C1O2)NC)NC	-0.004364805402450088	GombarHall	logCL
CC(C1CCC(N)C(O1)OC1C(N)CC(N)C(C1O)OC1C(O)C(C(C)(O)CO1)NC)NC	0.0	GombarHall	logCL
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC1C(N(CCO1)CC1=NC(=O)NN1)C1=CC=C(F)C=C1	0.0	GombarHall	logCL
CC1(O)COC(C(O)C1NC)OC1C(N)CC(N)C(C1O)OC1C(N)CC=C(O1)CN	0.0	GombarHall	logCL
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C2=CSC(=N2)N)SC1)C(=O)O	0.0	GombarHall	logCL
C1=CC=C(Cl)C(=C1)C1=NC(O)C(=O)NC2=C1C=C(Cl)C=C2	0.0	GombarHall	logCL
CN(C)C1C2CC3C(O)C4=C(Cl)C=CC(=C4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O)O	0.04139268515822508	GombarHall	logCL
CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C	0.04139268515822508	GombarHall	logCL
C1=CC=C(C=C1)C1=NC(C(=O)NC2=C1C=C(Cl)C=C2)C(=O)O	0.04139268515822508	GombarHall	logCL
C1CN(P(=O)(OC1)NCCCl)CCCl	0.04139268515822508	GombarHall	logCL
C1CNP(=O)(OC1)N(CCCl)CCCl	0.04139268515822508	GombarHall	logCL
C1=CC=C(C=C1)C1=NC(O)C(=O)NC2=C1C=C(Cl)C=C2	0.04139268515822508	GombarHall	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N1CCN(CC1)C(=O)C1CCCO1)N)OC	0.04139268515822508	GombarHall	logCL
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O)O)N(C)C	0.07918124604762482	GombarHall	logCL
C1=CC(=C(C=C1NN=C1C=CC(=O)C(=C1)C(=O)O)C(=O)O)O	0.07918124604762482	GombarHall	logCL
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC1=CC=CC=C1)C(=O)O)C(=O)O	0.07918124604762482	GombarHall	logCL
OCC=CC=CC=CC(O)CC(OP(O)(O)=O)C(C)(O)C=CC1CC=CC(=O)O1	0.07918124604762482	GombarHall	logCL
C1=CC(=C(F)C=C1F)C(CN1C=NC=N1)(CN1C=NC=N1)OP(=O)(O)O	0.11394335230683679	GombarHall	logCL
C1=CC=C2C(=C1)C(=O)OC21C2=C(C=C(O)C=C2)OC2=C1C=CC(=C2)O	0.11394335230683679	GombarHall	logCL
CC1=C(C2=C(N1C(=O)C1=CC=C(Cl)C=C1)C=CC(=C2)OC)CC(=O)O	0.11394335230683679	GombarHall	logCL
CN(C)N=NC1=CC=C(C=C1)C(=O)O	0.11394335230683679	GombarHall	logCL
CC12CCC3C(C1CCC2(C#C)OS(=O)(=O)O)CCC1=C3C=CC(=C1)O	0.11394335230683679	GombarHall	logCL
C1=CC(=C(N)C(=C1)CC(=O)O)C(=O)C1=CC=C(Br)C=C1	0.11394335230683679	GombarHall	logCL
C1C2C(C2N)CN1C1=C(F)C=C2C(=O)C(=CN(C2=N1)C1=C(F)C=C(F)C=C1)C(=O)O	0.146128035678238	GombarHall	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)N(=O)=O)C1=CC=CC=C1F	0.146128035678238	GombarHall	logCL
CC1NC2=CC(=C(C=C2C(=O)N1C1=CC=CC=C1C)S(=O)(=O)N)Cl	0.146128035678238	GombarHall	logCL
C1CN(CCN1CCCN1C(=O)N2C=CC=CC2=N1)C1=CC(=CC=C1)Cl	0.146128035678238	GombarHall	logCL
CN1C=NC2=C1C(=O)N(C)C(=O)N2C	0.146128035678238	GombarHall	logCL
C1C(N)C(C(O)C(C1N)OC1C(O)C(O)C(O)C(O1)CN)OC1C(O)C(N)C(O)C(O1)CO	0.146128035678238	GombarHall	logCL
CN(CC(O)CO)C(=O)C1=C(I)C(=C(I)C(=C1I)C(=O)NCC(O)CO)NC(=O)COC	0.146128035678238	GombarHall	logCL
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.17609125905568124	GombarHall	logCL
CC(=O)OC1CC2CCC3C(C2(C)CC1[N+]1(C)CCCCC1)CCC1(C)C3CC(C1OC(=O)C)[N+]1(C)CCCCC1	0.17609125905568124	GombarHall	logCL
ON=C(C1=NSC(N)=N1)C(=O)NC1C(=O)N2C(=C(C=C3C(=O)N(C4CNCC4)CC3)CSC12)C(=O)O	0.17609125905568124	GombarHall	logCL
C1C(N)C(O)C(C(C1N)OC1C(N)C(O)C(O)C(O1)CN)OC1C(O)C(O)C(O1)CO	0.17609125905568124	GombarHall	logCL
CN1C(=NN=N1)SCC1=C(N2C(C(C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)O	0.17609125905568124	GombarHall	logCL
CC1(O)C2CC3C(C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)C2=C1C=CC=C2O)N(C)C	0.17609125905568124	GombarHall	logCL
C1=CC=C2C(=C1)C(=O)NC2(O)C1=CC(=C(Cl)C=C1)S(=O)(=O)N	0.17609125905568124	GombarHall	logCL
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C1=CSC(=N1)N	0.17609125905568124	GombarHall	logCL
C1=C(N=C(N)S1)C(=NOCC(=O)O)C(=O)NC1C(N(C1=O)S(=O)(=O)O)COC(=O)N	0.17609125905568124	GombarHall	logCL
CC1=C(SC=C1)C(=CCCN1CCCC(C1)C(=O)O)C1=C(C)C=CS1	0.2041199826559248	GombarHall	logCL
CC(=O)NC1C(C=C(OC1C(O)C(O)CO)C(=O)O)NC(N)=N	0.2041199826559248	GombarHall	logCL
CC(C1=CC=CC(=C1)C(=O)C1=CC=CC=C1)C(=O)O	0.2041199826559248	GombarHall	logCL
C1C(N)C(C(O)C(C1N)OC1C(O)C(N)C(O)C(O1)CO)OC1C(N)CC(O)C(O1)CN	0.2041199826559248	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(C1=CC=CC=C1)S(=O)(=O)O)C(=O)O	0.2041199826559248	GombarHall	logCL
C1=COC(=C1)CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl	0.2041199826559248	GombarHall	logCL
CCOC(=O)NC1=C(N)N=C(C=C1)NCC1=CC=C(F)C=C1	0.2041199826559248	GombarHall	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1)N)OC	0.2041199826559248	GombarHall	logCL
CC(C(=O)C1CCCN1C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O	0.2041199826559248	GombarHall	logCL
CC(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)C	0.2304489213782739	GombarHall	logCL
C1CCC(CC1)(CC(=O)O)CN	0.2304489213782739	GombarHall	logCL
C1C(O)C(O)C(O)C(N1CCO)CO	0.2304489213782739	GombarHall	logCL
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1	0.2304489213782739	GombarHall	logCL
CCN1CCCC1CNC(=O)C1=C(C=CC(=C1OC)Br)OC	0.2304489213782739	GombarHall	logCL
CCCCC1CC(=O)C2(O)C(O1)OC1C(O)C(C(O)C(C1O2)NC)NC	0.2304489213782739	GombarHall	logCL
CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O	0.2304489213782739	GombarHall	logCL
CC(C)C1CCC(CC1)C(=O)NC(CC1=CC=CC=C1)C(=O)O	0.25527250510330607	GombarHall	logCL
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	0.25527250510330607	GombarHall	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC2=CC=CS2)SC1)C(=O)O	0.25527250510330607	GombarHall	logCL
CC(=O)NCC1CN(C(=O)O1)C1=CC(=C(C=C1)N1CCOCC1)F	0.25527250510330607	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(C1=CSC=C1)C(=O)O)C(=O)O	0.25527250510330607	GombarHall	logCL
CN1C(CC(O)C1=O)C1=CN=CC=C1	0.25527250510330607	GombarHall	logCL
CC1CCCC(C)N1CCCC(O)(C1=CC=CC=C1)C1=CC=CC=N1	0.25527250510330607	GombarHall	logCL
CCC12CCC3C(C1CCC2(O)C#C)CCC1=CC(=O)CCC13	0.25527250510330607	GombarHall	logCL
CCCCC1=NC=C(N1CC1=CC=C(C=C1)C(=O)O)C=C(CC1=CC=CS1)C(=O)O	0.2787536009528289	GombarHall	logCL
CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(=C1)O)N(=O)=O	0.2787536009528289	GombarHall	logCL
C1CN(CCC1OCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C=C1)C(=N)N	0.2787536009528289	GombarHall	logCL
C1CCC(CC1)C(C(=O)N1CCC1C(=O)NCC1=CC=C(C=C1)C(=N)N)NCC(=O)O	0.2787536009528289	GombarHall	logCL
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C1=CC(=C(C(=C1)I)OCCN(CC)CC)I	0.2787536009528289	GombarHall	logCL
CC(O)C1C(=O)N2C1C(C)\C(=C2\C(=O)O)\SC1CN(C)C(C1)C(=O)N1CC(CC1)NC(=O)CNC(=N)N	0.2787536009528289	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(C1=CC=CC=C1)C(=O)O)C(=O)O	0.2787536009528289	GombarHall	logCL
CC(O)C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)CO)C(=O)NC(CO)CO	0.2787536009528289	GombarHall	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C2=CSC(=N2)N)SC1)C(=O)O	0.2787536009528289	GombarHall	logCL
CON=C(C1=CSC(=N1)N)C(=O)NC1C2N(C1=O)C(=C(CS2)C[N+]1=CC=CC2=C1CCC2)C(=O)O	0.2787536009528289	GombarHall	logCL
C1C(O)C2C(O1)C(CO2)ON(=O)=O	0.3010299956639812	GombarHall	logCL
CC1=C(C(=NO1)C1=C(Cl)C=CC=C1Cl)C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O	0.3010299956639812	GombarHall	logCL
CC(C)NCC(O)C1=CC=C(C=C1)NS(=O)(=O)C	0.3010299956639812	GombarHall	logCL
CC1(O)C2CC3C(C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)C2=C(O)C=CC(=C12)Cl)N(C)C	0.3010299956639812	GombarHall	logCL
CC1=NN=C2N1C1=C(C=C(Br)S1)C(=NC2)C1=CC=CC=C1Cl	0.3010299956639812	GombarHall	logCL
CCN1C=C(C(=O)C2=CC(=C(C=C12)N1CCN(C)CC1)F)C(=O)O	0.3010299956639812	GombarHall	logCL
CC1(O)C2C(O)C3C(C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)C2=C1C=CC=C2O)N(C)C	0.3010299956639812	GombarHall	logCL
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=NC(=N1)C1=NC=CC=N1)OCCO)OC1=CC=CC=C1OC	0.3222192947339193	GombarHall	logCL
CCCC1CC(N(C)C1)C(=O)NC(C1C(O)C(O)C(O)C(O1)SC)C(C)O	0.3222192947339193	GombarHall	logCL
C1CN2CCC1C(C2)OC(=O)N1CCC2=CC=CC=C2C1C1=CC=CC=C1	0.3222192947339193	GombarHall	logCL
CCOC1=CC=CC=C1OCC1CNCCO1	0.3222192947339193	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(C1=CC=CC=C1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)C(=O)O	0.3222192947339193	GombarHall	logCL
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O	0.3222192947339193	GombarHall	logCL
CC(=O)NC1CCC2=CC(=C(C(=C2C2=CC=C(C(=O)C=C12)OC)OC)OC)OC	0.3222192947339193	GombarHall	logCL
CON=C(C1=CSC(=N1)N)C(=O)NC1C2N(C1=O)C(=CCS2)C(=O)O	0.3222192947339193	GombarHall	logCL
COC1=CC(=CC(=C1OC)OC)CC1=CN=C(N)N=C1N	0.3222192947339193	GombarHall	logCL
COC1=C(C(=NC=C1)CS(=O)C1=NC2=C(N1)C=C(C=C2)OC(F)F)OC	0.3424226808222063	GombarHall	logCL
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.3424226808222063	GombarHall	logCL
C1CC2=CC=CC=C2OC1CNCCCCN1C(=O)C2=CC=CC=C2S1(=O)=O	0.3424226808222063	GombarHall	logCL
CN1CCC23C4C1CC1=C2C(=C(O)C=C1)OC3C(C=C4)OC1C(O)C(O)C(O)C(O1)C(=O)O	0.3424226808222063	GombarHall	logCL
CC1=C(C(=CC=C1)C)NC(=O)C(C)N	0.3424226808222063	GombarHall	logCL
CON=C(C1=CC=CO1)C(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O	0.3424226808222063	GombarHall	logCL
C[N+]1(CCCC1)CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C2=CSC(=N2)N)SC1)C(=O)O	0.3424226808222063	GombarHall	logCL
CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1	0.36172783601759284	GombarHall	logCL
CC1C(=O)OC2C1(O)C13C(=O)OC4C1(C2O)C1(C(C4)C(C)(C)C)C(O)C(=O)OC1O3	0.36172783601759284	GombarHall	logCL
CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O	0.36172783601759284	GombarHall	logCL
C1CC(CCC1CN)C(=O)O	0.38021124171160603	GombarHall	logCL
C1C(OC(O1)CO)N1C=CC(=NC1=O)N	0.38021124171160603	GombarHall	logCL
CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)N=CC1=CC=C(O1)C1=CC=C(Cl)C=C1	0.38021124171160603	GombarHall	logCL
COC1=C2C(=CC(=C1N1CC3CCCNC3C1)F)C(=O)C(=CN2C1CC1)C(=O)O	0.38021124171160603	GombarHall	logCL
CC(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)C(=O)NC	0.38021124171160603	GombarHall	logCL
CC1=C(C(=NO1)C1=C(F)C=CC=C1Cl)C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O	0.38021124171160603	GombarHall	logCL
CS(=O)(=O)OCCCCOS(=O)(=O)C	0.38021124171160603	GombarHall	logCL
C1=CC(=CC=C1C(O)C(CO)NC(=O)C(Cl)Cl)N(=O)=O	0.38021124171160603	GombarHall	logCL
C1=C(N=C(S1)C1C(O)C(O)C(O1)CO)C(=O)N	0.38021124171160603	GombarHall	logCL
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC1C2N(C1=O)C(=C(CS2)C[N+]1=CC=CC=C1)C(=O)O	0.38021124171160603	GombarHall	logCL
CN1CCN(CC1)C1=C(F)C=C2C(=C1F)N(C=C(C2=O)C(=O)O)CCF	0.38021124171160603	GombarHall	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC1C3(C)C=CC(=O)N1	0.38021124171160603	GombarHall	logCL
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	0.3979400086720376	GombarHall	logCL
CC1C2C(C(=O)N2C(=C1SC1CN2C=NC=[N+]2C1)C(=O)O)C(C)O	0.3979400086720376	GombarHall	logCL
CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1	0.3979400086720376	GombarHall	logCL
CNC1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(=O)N	0.3979400086720376	GombarHall	logCL
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC1=CC=CC=C1	0.3979400086720376	GombarHall	logCL
CC(C)NCC(O)COC1=CC=C(C=C1)CC(=O)N	0.3979400086720376	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(C1=CC=CC=C1)NC(=O)N1CCNC1=O)C(=O)O	0.3979400086720376	GombarHall	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(N)C2=CC=C(O)C=C2)SC1)C(=O)O	0.3979400086720376	GombarHall	logCL
CC12CC(=O)C3C(C1CCC2(O)C(=O)CO)CCC1=CC(=O)C=CC13C	0.3979400086720376	GombarHall	logCL
CN1CCN(CC1)C1=C2C=CC=CC2=NC2=C(N1)C=C(Cl)C=C2	0.3979400086720376	GombarHall	logCL
C(CCC(=O)O)CCN	0.3979400086720376	GombarHall	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N1CCN(C)CC1)F)C(=O)O	0.3979400086720376	GombarHall	logCL
C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C1CN2CCC1CC2	0.414973347970818	GombarHall	logCL
CC1=NN=C(S1)SCC1=C(N2C(C(C2=O)NC(=O)C(O)C2=CC=CC=C2)SC1)C(=O)O	0.414973347970818	GombarHall	logCL
CN(C)NN=C1C(=NC=N1)C(=O)N	0.414973347970818	GombarHall	logCL
C1CN(CCC12CNC(=O)O2)CCC1=CC=CC=C1	0.414973347970818	GombarHall	logCL
CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NC)N=C12)NC1=C(C=C(C=C1)NS(=O)(=O)C)OC	0.414973347970818	GombarHall	logCL
CC(O)C1C2CC(=C(N2C1=O)C(=O)O)SC1CCN(C1)C(=N)C	0.414973347970818	GombarHall	logCL
CC1CN(CC(C)N1)C1=C(F)C2=C(C(=C1F)N)C(=O)C(=CN2C1CC1)C(=O)O	0.43136376415898736	GombarHall	logCL
CC(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)N(C)C(=O)C	0.43136376415898736	GombarHall	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC2=CC=NC=C2)SC1)C(=O)O	0.43136376415898736	GombarHall	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C2=CSC(=N2)N)SC1)C(=O)O	0.43136376415898736	GombarHall	logCL
CC1CN(CCN1)C1=C(F)C=C2C(=C1OC)N(C=C(C2=O)C(=O)O)C1CC1	0.4471580313422192	GombarHall	logCL
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	0.4471580313422192	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(N)C1=CC=CC=C1)C(=O)O	0.4471580313422192	GombarHall	logCL
CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(O)CC(O)CC(=O)O)C1=CC=C(F)C=C1)COC	0.4623979978989561	GombarHall	logCL
CC(C)(C)NCC(O)COC1=CC=CC2=C1CC(O)C(O)C2	0.4623979978989561	GombarHall	logCL
CC12CC(O)C3C(C1CCC2(O)C(=O)CO)CCC1=CC(=O)C=CC13C	0.4623979978989561	GombarHall	logCL
CC=CC1=C(N2C(C(C2=O)NC(=O)C(N)C2=CC=C(O)C=C2)SC1)C(=O)O	0.4623979978989561	GombarHall	logCL
CC1=NC2=C(N1)C1=CC=CC=C1N(CC2)C(=O)C1=CC=C(C=C1)NC(=O)C1=CC=CC=C1C1=CC=CC=C1	0.47712125471966244	GombarHall	logCL
CC1=NN=C2N1C1=C(C=C(Cl)C=C1)C(=NC2)C1=CC=CC=C1Cl	0.47712125471966244	GombarHall	logCL
CC(O)C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN	0.47712125471966244	GombarHall	logCL
CC(=O)OC1CC2CCC3C(C2(C)CC1N1CC[N+](C)(C)CC1)CCC1(C)C3CC(C1OC(=O)C)N1CC[N+](C)(C)CC1	0.47712125471966244	GombarHall	logCL
C1COCCN1C(=O)NCCNCC(O)COC1=CC=C(O)C=C1	0.47712125471966244	GombarHall	logCL
CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O	0.4913616938342727	GombarHall	logCL
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1	0.4913616938342727	GombarHall	logCL
O=CN(O)CC(CC1CCCC1)C(=O)NC(C(C)(C)C)C(=O)N1CCN(CC1)CC1=CC=C2OCOC2=C1	0.4913616938342727	GombarHall	logCL
CN1C(=CC(=O)N(C)C1=O)NCCCN1CCN(CC1)C1=CC=CC=C1OC	0.4913616938342727	GombarHall	logCL
CCCC1=CC(=O)NC(=S)N1	0.4913616938342727	GombarHall	logCL
C1CCN(C1)C1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC1=CC=CC=C1	0.4913616938342727	GombarHall	logCL
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O	0.4913616938342727	GombarHall	logCL
CC(=O)NC(CS)C(=O)O	0.4913616938342727	GombarHall	logCL
CCCCCC1=CC2=C(C3C=C(C)CCC3C(C)(C)O2)C(=C1)O	0.505149978319906	GombarHall	logCL
C1=NC2=C(N1C1C(O)C(O)C(O1)COP(=O)(O)O)N=C(F)N=C2N	0.505149978319906	GombarHall	logCL
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O	0.5185139398778874	GombarHall	logCL
CC1=C(C=C(C=C1)NC(=O)C1=CC=C(C=C1)CN1CCN(C)CC1)NC1=NC=CC(=N1)C1=CN=CC=C1	0.5185139398778874	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C(N)C1=CC=C(O)C=C1)C(=O)O	0.5185139398778874	GombarHall	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(N)C2=CCC=CC2)SC1)C(=O)O	0.5185139398778874	GombarHall	logCL
CN1CCN(CC1)C(=O)OC1C2=NC=CN=C2C(=O)N1C1=NC=C(Cl)C=C1	0.5185139398778874	GombarHall	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO	0.5185139398778874	GombarHall	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC1=CC=CS1)C(=O)O)C[N+]1=CC=CC=C1	0.5185139398778874	GombarHall	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(N)C1=CC=C(O)C=C1)C(=O)O)CSC1=CN=NN1	0.5185139398778874	GombarHall	logCL
CC(C)(C)NCC(O)C1=CC(=CC(=C1)O)O	0.5314789170422551	GombarHall	logCL
C1CC(=O)NC(=O)C1N1C(=O)C2=CC=CC=C2C1=O	0.5314789170422551	GombarHall	logCL
CC1(C(=O)NC(=O)N(C)C1=O)C1=CCCCC1	0.5314789170422551	GombarHall	logCL
CN1CCC2=CC(=C3C=C2C1CC1=CC=C(C=C1)OC1=C2C(CC4=CC(=C(O)C=C4)O3)[N+](C)(C)CCC2=CC(=C1O)OC)OC	0.5314789170422551	GombarHall	logCL
CC(C)NCC(O)COC1=CC=C(C=C1)CCOCC1CC1	0.5314789170422551	GombarHall	logCL
CCOC1=C(C=C(C=C1)C=C1C2=CC(=C(C=C2CCN1)OCC)OCC)OCC	0.5440680443502757	GombarHall	logCL
C1=CC=C(C(=C1)CC(=O)O)NC1=C(Cl)C=CC=C1Cl	0.5440680443502757	GombarHall	logCL
CC(N)(CC1=CC(=C(O)C=C1)O)C(=O)O	0.5440680443502757	GombarHall	logCL
CN1C(=NN=N1)SCC1=C(N2C(C(C2=O)NC(=O)C(O)C2=CC=CC=C2)SC1)C(=O)O	0.5563025007672873	GombarHall	logCL
COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC1=CC=CS1	0.5563025007672873	GombarHall	logCL
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	0.5563025007672873	GombarHall	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C	0.568201724066995	GombarHall	logCL
CC1=CN(C(=O)NC1=O)C1CC(C(O1)CO)N=N#N	0.568201724066995	GombarHall	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(Cl)C=C1)Cl	0.568201724066995	GombarHall	logCL
C1CC12CN(CC2N)C1=C(F)C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C1CC1F	0.568201724066995	GombarHall	logCL
CC(=O)OC1C(CC2C1(C)CCC1C2CCC2C1(C)CC(C(O)C2)N1CCOCC1)[N+]1(CCCC1)CC=C	0.568201724066995	GombarHall	logCL
CC(C)NCC(O)COC1=CC=C(C=C1)COCCOC(C)C	0.568201724066995	GombarHall	logCL
CC1CC(=O)NN=C1C1=CC=C(C=C1)NN=C(C#N)C#N	0.5797835966168101	GombarHall	logCL
CCC#CCC(C)C(O)C#CC1C(O)CC2C1CC(=CCOCC(=O)O)C2	0.5797835966168101	GombarHall	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(N)C2=CC=CC=C2)SC1)C(=O)O	0.5910646070264992	GombarHall	logCL
CCC(=O)N(C1=CC=CC=C1)C1(CCN(CC1)CCN1C(=O)N(N=N1)CC)COC	0.5910646070264992	GombarHall	logCL
CC1C2C(C(=O)N2C(=C1SC1CCC(N1)C(=O)N(C)C)C(=O)O)C(C)O	0.5910646070264992	GombarHall	logCL
CC(C)C1C2=C(CCC1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)COC)C=C(F)C=C2	0.6020599913279624	GombarHall	logCL
CC1=C(C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1)OCCCOC	0.6020599913279624	GombarHall	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C	0.6020599913279624	GombarHall	logCL
CCCN1C2=C(C(=O)NC1=O)N=CN2	0.6020599913279624	GombarHall	logCL
C1CNC(=NC2=C(Cl)C=CC=C2Cl)N1	0.6020599913279624	GombarHall	logCL
COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C	0.6020599913279624	GombarHall	logCL
CCN1CCN(C(=O)C1=O)C(=O)NC(C1=CC=CC=C1)C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O	0.6020599913279624	GombarHall	logCL
CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl	0.6020599913279624	GombarHall	logCL
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	0.6127838567197355	GombarHall	logCL
CCC1CN2CCC1CC2C(O)C1=C2C=C(C=CC2=NC=C1)OC	0.6232492903979004	GombarHall	logCL
CC(C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O)OC1=CC=CC=C1	0.6232492903979004	GombarHall	logCL
CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC1CCNCC1)C(=O)O	0.6334684555795865	GombarHall	logCL
CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C	0.6334684555795865	GombarHall	logCL
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC1=C2C=CC=CC2=NC2=CC=CC=C12	0.6334684555795865	GombarHall	logCL
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C1=CC=C(F)C=C1	0.6334684555795865	GombarHall	logCL
CC1=CC=C(C=C1)C1=C(N2C=C(C)C=CC2=N1)CC(=O)N(C)C	0.6334684555795865	GombarHall	logCL
CC1=C(C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1)OCC(F)(F)F	0.6434526764861874	GombarHall	logCL
CC(CC1=CC=CC=C1)NC	0.6434526764861874	GombarHall	logCL
CCCC1CC(N(C)C1)C(=O)NC(C1C(O)C(O)C(O)C(O1)SC)C(C)Cl	0.6532125137753437	GombarHall	logCL
C1=CC(=C(C(=C1)Cl)CC(=O)NC(N)=N)Cl	0.6532125137753437	GombarHall	logCL
CC(=O)OC1CC2CCC3C(C2(C)CC1N1CCCCC1)CCC1(C)C3CC(C1OC(=O)C)[N+]1(C)CCCCC1	0.6532125137753437	GombarHall	logCL
CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C	0.6532125137753437	GombarHall	logCL
C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N	0.6627578316815741	GombarHall	logCL
C1CC1N1C=C(C(=O)C2=CC(=C(C(=C12)Cl)N1CCC(N)C1)F)C(=O)O	0.6720978579357175	GombarHall	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N1CCN(CC1)C(=O)C1=CC=CO1)N)OC	0.6720978579357175	GombarHall	logCL
CC12CCC3C(C1CCC2(O)C#C)CCC1=C3C=CC(=C1)OS(=O)(=O)O	0.6720978579357175	GombarHall	logCL
CCC(=O)N(C1CCN(CC1)CCC1=CC=CC=C1)C1=CC=CC=C1	0.6720978579357175	GombarHall	logCL
C1=NC2=C(N1COCCO)NC(=NC2=O)N	0.6720978579357175	GombarHall	logCL
C1C(OC(S1)CO)N1C=CC(=NC1=O)N	0.6812412373755872	GombarHall	logCL
CCC(CC)OC1C=C(CC(N)C1NC(=O)C)C(=O)O	0.6812412373755872	GombarHall	logCL
CN1C2=C(C(=O)N(C)C1=O)N(C=N2)CC(O)CO	0.6812412373755872	GombarHall	logCL
CCCC(=O)N1CCCN(CC1)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC	0.6812412373755872	GombarHall	logCL
C1CCNC(C1)CNC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F	0.6901960800285137	GombarHall	logCL
CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1	0.6901960800285137	GombarHall	logCL
CC(C)(C)NCC(O)COC1=CC=C(C=C1)NC(=O)NC1CCCCC1	0.6901960800285137	GombarHall	logCL
CC(=O)NC1=CC=C(O)C=C1	0.6989700043360189	GombarHall	logCL
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=C1NCC(C)C2	0.6989700043360189	GombarHall	logCL
C1CN(CCN1CCC1=C(Cl)C=C2C(=C1)CC(=O)N2)C1=NSC2=CC=CC=C12	0.7075701760979364	GombarHall	logCL
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1	0.7075701760979364	GombarHall	logCL
CC1(C)C(N2C(S1(=O)=O)CC2=O)C(=O)O	0.7075701760979364	GombarHall	logCL
C1CCC(CC1)(C1=CC=CC=C1)N1CCCCC1	0.7075701760979364	GombarHall	logCL
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC2=C1C=CC(=C2)Cl)OC	0.7075701760979364	GombarHall	logCL
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC1=CC=C(C=C1)NS(=O)(=O)C	0.7160033436347992	GombarHall	logCL
C1=NC(=NN1C1C(O)C(O)C(O1)CO)C(=O)N	0.7160033436347992	GombarHall	logCL
CN1CCCC1CC1=CNC2=C1C=C(C=C2)CCS(=O)(=O)C1=CC=CC=C1	0.724275869600789	GombarHall	logCL
C1=CN(C=N1)C1=C(C=C2C(=C1)N(C(=O)C(=O)N2)CC(=O)O)N(=O)=O	0.724275869600789	GombarHall	logCL
CCN1CC(C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1)CCN1CCOCC1	0.724275869600789	GombarHall	logCL
CC1=NC=C2N1C1=C(C=C(Cl)C=C1)C(=NC2)C1=CC=CC=C1F	0.724275869600789	GombarHall	logCL
CC1=C(C(=O)N2CCCCC2=N1)CCN1CCC(CC1)C1=NOC2=C1C=CC(=C2)F	0.7323937598229685	GombarHall	logCL
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)OC(=O)C	0.7323937598229685	GombarHall	logCL
CCN1C=C(C(=O)C2=CC(=C(N=C12)N1CCNCC1)F)C(=O)O	0.7323937598229685	GombarHall	logCL
CC1=CC(=CC=C1)OCC(O)CNCCC1=CC(=C(C=C1)OC)OC	0.7403626894942439	GombarHall	logCL
CCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C	0.7403626894942439	GombarHall	logCL
CN1CCC23C=CC(O)CC2OC2=C(C=CC(=C23)C1)OC	0.7481880270062004	GombarHall	logCL
COC1=CC(=C(C(=C1)OC)C(=O)CCCN1CCCC1)OC	0.7481880270062004	GombarHall	logCL
C1CC(OC1CO)N1C=CC(=NC1=O)N	0.7481880270062004	GombarHall	logCL
CCCC(CC)OC(C1=CC=CC=C1)(C1=CC=CC=C1)C(=O)OCCN(C)C	0.7558748556724915	GombarHall	logCL
CCN(CC)CCNC(=O)C1=CC(=C(N)C=C1OC)Cl	0.7558748556724915	GombarHall	logCL
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO	0.7558748556724915	GombarHall	logCL
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O	0.7634279935629372	GombarHall	logCL
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2	0.7634279935629372	GombarHall	logCL
CC1=NC=CN1CC1CCC2=C(C1=O)C1=CC=CC=C1N2C	0.7634279935629372	GombarHall	logCL
CN(CCCNC(=O)C1CCCO1)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC	0.7708520116421442	GombarHall	logCL
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(N)CC1=CC(=C(F)C=C1F)F	0.7781512503836436	GombarHall	logCL
CN1CCC(C(O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl	0.785329835010767	GombarHall	logCL
CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	0.785329835010767	GombarHall	logCL
C1CN(CCN1)C1=CC(=CC=C1)Cl	0.785329835010767	GombarHall	logCL
CN1CCC23C4C(=O)CCC2(O)C1CC1=C3C(=C(C=C1)OC)O4	0.785329835010767	GombarHall	logCL
CC1CC2C3CCC(O)(C3(C)CC(O)C2C2(C)C1=CC(=O)C=C2)C(=O)CO	0.785329835010767	GombarHall	logCL
CN(C)CC1=NN=C2N1C1=C(C=C(Cl)C=C1)C(=NC2)C1=CC=CC=C1	0.7923916894982539	GombarHall	logCL
CC1=C(C=C(C(=O)N1)C#N)C1=CC=NC=C1	0.7923916894982539	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)N=CN1CCCCCC1)C(=O)O	0.7993405494535817	GombarHall	logCL
CC1=C(C(=NO1)C1=CC=CC=C1)C(=O)NC1C2N(C1=O)C(C(C)(C)S2)C(=O)O	0.7993405494535817	GombarHall	logCL
CCCCCNC(=O)C1=COC(=N1)C1C2CCC(C1CC1=CC=CC=C1CCC(=O)O)O2	0.8061799739838872	GombarHall	logCL
CN(C)CC1CCCCC1(O)C1=CC(=CC=C1)OC	0.8129133566428556	GombarHall	logCL
CCC1(O)C2=C(COC1=O)C(=O)N1CC3=C(C1=C2)N=C1C=CC=C(N)C1=C3	0.8129133566428556	GombarHall	logCL
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C1CCN(C)CC1	0.8195439355418687	GombarHall	logCL
COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C	0.8195439355418687	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)C1=C(C=CC=C1OC)OC)C(=O)O	0.8195439355418687	GombarHall	logCL
C1=C(N=C(S1)NC(N)=N)CSCCC(=NS(=O)(=O)N)N	0.8195439355418687	GombarHall	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CC1COC(=O)N1	0.8260748027008264	GombarHall	logCL
C1CN1P(=S)(N1CC1)N1CC1	0.8260748027008264	GombarHall	logCL
C1CN(CCC1C(=O)C1=CC=C(F)C=C1)CCN1C(=O)C2=CC=CC=C2NC1=O	0.8260748027008264	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)COC1=CC=CC=C1)C(=O)O	0.8325089127062363	GombarHall	logCL
CC1=C(C(=CC=C1)C)NC(=O)C1CCCCN1C	0.8325089127062363	GombarHall	logCL
CC1(C)C(N2C(S1)C(C2=O)NC(=O)CC1=CC=CC=C1)C(=O)O	0.8388490907372553	GombarHall	logCL
C1=CC(=CC=C1CC(N)C(=O)O)N(CCCl)CCCl	0.8450980400142568	GombarHall	logCL
CC12CCC3C(C1CCC2(O)C#C)CCC1=C3C=CC(=C1)O	0.8450980400142568	GombarHall	logCL
CCOC(=O)C1=C(NC(=C(C1C1=CC=CC=C1Cl)C(=O)OC)C)COCCN	0.8450980400142568	GombarHall	logCL
CCC(C)C(=O)OC1CC(C)C=C2C1C(C(C)C=C2)CCC(O)CC(O)CC(=O)O	0.8573324964312685	GombarHall	logCL
CC1=C(C(C(=C(C)N1)C(=O)OC)C1=CC=CC=C1N(=O)=O)C(=O)OC	0.8633228601204559	GombarHall	logCL
C1=CN=CC=C1C(=O)NN	0.8692317197309762	GombarHall	logCL
CCC1=NN(C(=O)N1CCOC1=CC=CC=C1)CCCN1CCN(CC1)C1=CC(=CC=C1)Cl	0.8750612633917001	GombarHall	logCL
CC(O)C1C2N(C1=O)C(=C(S2)SCCOC(=O)N)C(=O)O	0.8750612633917001	GombarHall	logCL
CN1C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1	0.8808135922807914	GombarHall	logCL
CC(C)NCC(O)COC1=CC=CC2=C1C=CN2	0.8864907251724818	GombarHall	logCL
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C1=CC=CC=C1N1CCCCC1)C(=O)O	0.8920946026904804	GombarHall	logCL
CC(C)(C)NCC(O)C1=CC(=C(O)C=C1)CO	0.8920946026904804	GombarHall	logCL
C1CCN(CC1)C1(CCN(CC1)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N	0.8920946026904804	GombarHall	logCL
C1CN(CCC1(O)C1=CC=C(Cl)C=C1)CCCC(=O)C1=CC=C(F)C=C1	0.8920946026904804	GombarHall	logCL
COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2	0.8920946026904804	GombarHall	logCL
C1=CC(=C2C(=C1NCCNCCO)C(=O)C1=C(O)C=CC(=C1C2=O)O)NCCNCCO	0.8976270912904415	GombarHall	logCL
CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1	0.9030899869919435	GombarHall	logCL
CC1=C(N=CN1)CSCCNC(=NC)NC#N	0.9084850188786497	GombarHall	logCL
CCCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)CO)Cl	0.9138138523837167	GombarHall	logCL
CC1=CC(=C(C=C1C(=O)NC(N)=N)S(=O)(=O)C)N1C=CC=C1	0.9138138523837167	GombarHall	logCL
CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2	0.9138138523837167	GombarHall	logCL
CC1=CN(C(=O)NC1=O)C1C=CC(O1)CO	0.9138138523837167	GombarHall	logCL
CCCC(C)C1(C(=O)NC(=S)NC1=O)CC	0.9138138523837167	GombarHall	logCL
CC(C1=NC=NC=C1F)C(O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1	0.919078092376074	GombarHall	logCL
C1CN(CCC1N1C2=CC=CC=C2NC1=O)CCCC(=O)C1=CC=C(F)C=C1	0.919078092376074	GombarHall	logCL
CC1=C(C(=CC=C1)C)OCC(C)N	0.919078092376074	GombarHall	logCL
C1CC1N1C=C(C(=O)C2=CC(=C(C=C12)N1CCNCC1)F)C(=O)O	0.919078092376074	GombarHall	logCL
CC1=CC(=C(O)C=C1)C(CCN(C(C)C)C(C)C)C1=CC=CC=C1	0.9242792860618817	GombarHall	logCL
CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)O)C1=NC2=CC=CC=C2N1C	0.9242792860618817	GombarHall	logCL
C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N	0.9242792860618817	GombarHall	logCL
CC1=CN=C(C(=C1OC)C)CS(=O)C1=NC2=C(N1)C=C(C=C2)OC	0.9242792860618817	GombarHall	logCL
CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1	0.9294189257142927	GombarHall	logCL
C1CN=C(N1)C1CC1(C1=CC=CC=C1)C1=CC=CC=C1	0.9344984512435677	GombarHall	logCL
CC1=C(N=CN1)CN1CCC2=C(C1=O)C1=CC=CC=C1N2C	0.9395192526186185	GombarHall	logCL
CCC(=C)C(=O)C1=C(Cl)C(=C(C=C1)OCC(=O)O)Cl	0.9409431702496213	GombarHall	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N1CCCC1	0.9493900066449128	GombarHall	logCL
C1=CC=C2C(=C1)N(O)C(=N)N=N2=O	0.9493900066449128	GombarHall	logCL
CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C	0.9493900066449128	GombarHall	logCL
C1=CN=CC=C1C1=CNC(=O)C(=C1)N	0.9493900066449128	GombarHall	logCL
CN1CCCC(CC1)N1C(=O)C2=CC=CC=C2C(=N1)CC1=CC=C(Cl)C=C1	0.9542425094393249	GombarHall	logCL
CN(CC(=O)N)C(=O)N(CCCl)N=O	0.9542425094393249	GombarHall	logCL
CN1C2CCCC1CC(C2)NC(=O)C1=NN(C)C2=CC=CC=C12	0.9590413923210935	GombarHall	logCL
CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(C=CC(=C1)S(=O)(=O)N1CCN(C)CC1)OCC	0.9590413923210935	GombarHall	logCL
CN(C)CCCN1C2=C(CCC3=CC=CC=C13)C=C(O)C=C2	0.9637878273455552	GombarHall	logCL
C1=CC=C(C=C1)C(=O)NCCC(=O)O	0.9637878273455552	GombarHall	logCL
CCC(=O)C1(CCN(C)CC1)C1=CC(=CC=C1)O	0.9637878273455552	GombarHall	logCL
CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	0.9637878273455552	GombarHall	logCL
CCCN1C(=C(C(C(=C1C)C(=O)ON1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N(=O)=O)C(=O)OC)C	0.9684829485539351	GombarHall	logCL
CC1=CC=CC=C1OC(CCNC)C1=CC=CC=C1	0.9684829485539351	GombarHall	logCL
CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO	0.9731278535996987	GombarHall	logCL
C1CN(CCC1N1C2=C(C=C(Cl)C=C2)NC1=O)CCCN1C2=CC=CC=C2NC1=O	0.9777236052888477	GombarHall	logCL
C[N+]1=CC=CC(=C1)OC(=O)N(C)C	0.9822712330395684	GombarHall	logCL
C1C(N(CC2=C(N1CC1=CN=CN1)C=CC(=C2)C#N)S(=O)(=O)C1=CC=CS1)CC1=CC=CC=C1	0.9822712330395684	GombarHall	logCL
CC[N+](C)(C)C1=CC(=CC=C1)O	0.9822712330395684	GombarHall	logCL
CNC(=CN(=O)=O)NCCSCC1=CC=C(O1)CN(C)C	0.9822712330395684	GombarHall	logCL
C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1	0.9867717342662449	GombarHall	logCL
CC(N)CC1=CC=CC=C1	0.9867717342662449	GombarHall	logCL
C1C(=O)NC(=O)N1N=CC1=CC=C(O1)N(=O)=O	0.9867717342662449	GombarHall	logCL
CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1	0.9912260756924949	GombarHall	logCL
CNC(=CN(=O)=O)NCCSCC1=CSC(=N1)CN(C)C	0.9912260756924949	GombarHall	logCL
CCOC(=O)C1(CCC=CC1NC)C1=CC=CC=C1	0.9956351945975499	GombarHall	logCL
CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)OC)CN(C)C	0.9956351945975499	GombarHall	logCL
CC1CCCC2(C)C(O2)CC(NC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)C(=CC1=CSC(=N1)C)C	1.0	GombarHall	logCL
CC(C)(C)C1(O)CC2C3(C14C(O)C(=O)OC4OC3=O)CC(=O)O2	1.0	GombarHall	logCL
CCCC(=O)NC1=CC(=C(C=C1)OCC(O)CNC(C)C)C(=O)C	1.0	GombarHall	logCL
CCN(CC)CCNC(=O)C1=CC=C(N)C=C1	1.0	GombarHall	logCL
C1COCCN1CCNC(=O)C1=CC=C(Cl)C=C1	1.0	GombarHall	logCL
CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	1.0	GombarHall	logCL
CCC(CO)NCCNC(CC)CO	1.0	GombarHall	logCL
C1CN=C(N1)C1COC2=CC=CC=C2O1	1.0	GombarHall	logCL
C1=CC(=C(O)C=C1C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1)O	1.0413926851582251	GombarHall	logCL
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	1.0413926851582251	GombarHall	logCL
CC1=C(C)C(=CC=C1)C(C)C1=CN=CN1	1.0413926851582251	GombarHall	logCL
CC(C)C1=NC(=NC(=C1C=CC(O)CC(O)CC(=O)O)C1=CC=C(F)C=C1)N(C)S(=O)(=O)C	1.0413926851582251	GombarHall	logCL
CC1=CC(=CC=C1)N1CC(OC1=O)CO	1.0413926851582251	GombarHall	logCL
CC1C(O)C(O)C(O1)N1C=C(F)C(=O)NC1=O	1.0413926851582251	GombarHall	logCL
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F	1.0413926851582251	GombarHall	logCL
CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12	1.0413926851582251	GombarHall	logCL
C1CNC(=NC2=C(Cl)C=CC3=NSN=C23)N1	1.0413926851582251	GombarHall	logCL
CC1=C(C(C(=C(C)N1)C(=O)OCCN(C)CC1=CC=CC=C1)C1=CC(=CC=C1)N(=O)=O)C(=O)OC	1.0413926851582251	GombarHall	logCL
COC1=C(C=C(C=C1)CC1=NC=CC2=CC(=C(C=C12)OC)OC)OC	1.0413926851582251	GombarHall	logCL
C1CC(OC1CO)N1C=NC2=C1NC=NC2=O	1.0413926851582251	GombarHall	logCL
CCOC(=O)C1=C(C)NC(=C(C1C1=C(Cl)C(=CC=C1)Cl)C(=O)OC)C	1.0413926851582251	GombarHall	logCL
CC1=NC(=C(C(=N1)Cl)N=C1NCCN1)OC	1.0413926851582251	GombarHall	logCL
CCC(C)(C)NCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1	1.0413926851582251	GombarHall	logCL
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C	1.0791812460476249	GombarHall	logCL
CCN(CC)C(=O)C(=CC1=CC(=C(O)C(=C1)O)N(=O)=O)C#N	1.0791812460476249	GombarHall	logCL
C1CN(CC1C(C1=CC=CC=C1)(C1=CC=CC=C1)C(=O)N)CCC1=CC2=C(C=C1)OCC2	1.0791812460476249	GombarHall	logCL
CN1CCOC(C2=CC=CC=C2C1)C1=CC=CC=C1	1.0791812460476249	GombarHall	logCL
CCC#CC(C)C1(C(=O)NC(=O)N(C)C1=O)CC=C	1.0791812460476249	GombarHall	logCL
COC1=C(C=C2C(=C1)N=CN=C2NC1=CC(=C(F)C=C1)Cl)OCCCN1CCOCC1	1.0791812460476249	GombarHall	logCL
CC(=O)OC1=CC=CC=C1C(=O)O	1.0791812460476249	GombarHall	logCL
C1CCN(CC1)CCC(O)(C1CC2CC1C=C2)C1=CC=CC=C1	1.0791812460476249	GombarHall	logCL
CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12	1.0791812460476249	GombarHall	logCL
CC(CS)C(=O)N1CCCC1C(=O)O	1.0791812460476249	GombarHall	logCL
CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12	1.0791812460476249	GombarHall	logCL
CCC1(O)CN2CCC1CC2C(O)C1=C2C=C(C=CC2=NC=C1)OC	1.0791812460476249	GombarHall	logCL
CCC1(O)C2=C(COC1=O)C(=O)N1CC3=C(C1=C2)N=C1C=CC(=C(C1=C3)CN(C)C)O	1.1139433523068367	GombarHall	logCL
C1CC1NC1=NC(=NC2=C1N=CN2C1CC(C=C1)CO)N	1.1139433523068367	GombarHall	logCL
CCCC1=NC(=C2N1NC(=NC2=O)C1=C(C=CC(=C1)S(=O)(=O)N1CCN(CC1)CC)OCC)C	1.1139433523068367	GombarHall	logCL
CCOC(=O)C1=CN=CN1C(C)C1=CC=CC=C1	1.1139433523068367	GombarHall	logCL
C1CN(CC2=CC(=NN=C12)NN)C(=O)C1=CC=CC=C1	1.1139433523068367	GombarHall	logCL
CCN(CC)CCNC(=O)C1=CC(=C(N)C=C1OC)Br	1.1139433523068367	GombarHall	logCL
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C1=CC=C(C=C1)OC	1.1139433523068367	GombarHall	logCL
CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12	1.1139433523068367	GombarHall	logCL
CC(C)NCC(O)COC1=CC=C(C=C1)CCOC	1.1139433523068367	GombarHall	logCL
CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C1=CC=CC=C1	1.1139433523068367	GombarHall	logCL
CC(CN1CCCCC1)C1=CC=CC=C1NC(=O)C1=CC=C(C=C1)OC	1.1139433523068367	GombarHall	logCL
CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C12	1.146128035678238	GombarHall	logCL
C1CC2=C(C=CC(=C2)F)OC1C(O)CNCC(O)C1CCC2=C(O1)C=CC(=C2)F	1.146128035678238	GombarHall	logCL
CN(C)CCC=C1C2=CC=CC=C2COC2=CC=CC=C12	1.146128035678238	GombarHall	logCL
CC1=CC=CC=C1OCC(O)CNCCOC1=CC=C(C=C1)C(=O)N	1.146128035678238	GombarHall	logCL
C1C(O)C(OC1N1C=NC2=C1N=C(Cl)N=C2N)CO	1.146128035678238	GombarHall	logCL
CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12	1.146128035678238	GombarHall	logCL
CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C	1.146128035678238	GombarHall	logCL
CCNCC(C1=CC(=CC=C1)O)OC(=O)C(C)(C)C	1.146128035678238	GombarHall	logCL
CC1CC(=O)NN=C1C1=CC2=C(C=C1)N=C(N2)C1=CC=C(C=C1)OC	1.146128035678238	GombarHall	logCL
CCC(C)C(=O)OC1CC(O)C=C2C1C(C(C)C=C2)CCC(O)CC(O)CC(=O)O	1.146128035678238	GombarHall	logCL
COC1=C(C=C2CN(CCC2=C1)C1=NC2=CC(=C(C=C2C(=C1)N)OC)OC)OC	1.146128035678238	GombarHall	logCL
CN(C)CC(C1=CC=C(C=C1)OC)C1(O)CCCCC1	1.146128035678238	GombarHall	logCL
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O)O1)CC1=CC=CC=C1)NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1	1.1760912590556813	GombarHall	logCL
CC(C)NCC(O)COC1=CC=CC=C1CC=C	1.1760912590556813	GombarHall	logCL
COC1=C(C=C(Cl)C=C1)C1(F)C2=C(C=C(C=C2)C(F)(F)F)NC1=O	1.1760912590556813	GombarHall	logCL
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1	1.1760912590556813	GombarHall	logCL
CCC(=O)OC(CC1=CC=CC=C1)(C1=CC=CC=C1)C(C)CN(C)C	1.1760912590556813	GombarHall	logCL
C=C1CCC2(O)C3CC4=C5C2(C1OC5=C(O)C=C4)CCN3CC1CC1	1.1760912590556813	GombarHall	logCL
CCC(=O)N(C1=CC=CC=C1)C1(CCN(CC1)CCC1=CC=CS1)COC	1.1760912590556813	GombarHall	logCL
CC1=C(C(C(=C(C)N1)C(=O)OCC(C)C)C1=CC=CC=C1N(=O)=O)C(=O)OC	1.1760912590556813	GombarHall	logCL
CC1=C(C(C(=C(C)N1)C(=O)OC(C)C)C1=CC(=CC=C1)N(=O)=O)C(=O)OCCOC	1.1760912590556813	GombarHall	logCL
CN1CCC23C4C1CC1=C2C(=C(C=C1)OC)OC3C(O)C=C4	1.1760912590556813	GombarHall	logCL
CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	1.2041199826559248	GombarHall	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CN1C=NC=N1	1.2041199826559248	GombarHall	logCL
CCN(C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N)C(=O)C	1.2041199826559248	GombarHall	logCL
CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2	1.2041199826559248	GombarHall	logCL
CN1C2CC(CC1C1C2O1)OC(=O)C(CO)C1=CC=CC=C1	1.2041199826559248	GombarHall	logCL
CCOC(=O)C1(CCC=CC1N(C)C)C1=CC=CC=C1	1.2041199826559248	GombarHall	logCL
CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1	1.2041199826559248	GombarHall	logCL
CC(CCC1=CC2=C(C=C1)OCO2)NCC(O)C1=CC(=C(O)C=C1)C(=O)N	1.2041199826559248	GombarHall	logCL
CN1CCN(CC1)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2	1.2041199826559248	GombarHall	logCL
CC(C)N1CCC(CC1)N(C1=CC=C(Cl)C=C1)C(=O)CC1=CC=CC=C1	1.2041199826559248	GombarHall	logCL
CC(CN1C2=CC=CC=C2CCC2=CC=CC=C12)CN(C)C	1.2041199826559248	GombarHall	logCL
CCOC(=O)C1=C2CN(C)C(=O)C3=C(N2C=N1)C=CC(=C3)F	1.2041199826559248	GombarHall	logCL
CC#CCC(C)C(O)C=CC1C(O)CC2C1CC(=CCCCC(=O)OCC(=O)C1=CC=CC=C1)C2	1.2041199826559248	GombarHall	logCL
CC(C)N1C2=CC=CC=C2C(=C1C=CC(O)CC(O)CC(=O)O)C1=CC=C(F)C=C1	1.2041199826559248	GombarHall	logCL
CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(F)C2CC(F)C2=CC(=O)C=CC12C)C(=O)SCF	1.2304489213782739	GombarHall	logCL
CCN1CC2CN(C)CC(C1)C2OC(=O)C1=CC=C(Cl)C=C1	1.2304489213782739	GombarHall	logCL
CC1=CN=C(C2=C1NC1=C2C2=C(C=C1)C=C(O)C=C2)NCCCN(C)C	1.255272505103306	GombarHall	logCL
CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)CO	1.255272505103306	GombarHall	logCL
C1=CC(=C2C3=C1C(=NN3C1=C(O)C=CC(=C1C2=O)O)CNCCO)NCCCN	1.255272505103306	GombarHall	logCL
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C1=CC(=C(C=C1)OC)OC	1.255272505103306	GombarHall	logCL
CN1CCCC1C1=CN=CC=C1	1.255272505103306	GombarHall	logCL
C1CNCC(C1C1=CC=C(F)C=C1)COC1=CC2=C(C=C1)OCO2	1.255272505103306	GombarHall	logCL
CC(C)(C)NCC(O)C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C	1.255272505103306	GombarHall	logCL
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C	1.2787536009528289	GombarHall	logCL
CC(C)(C)C(C)(O)C1CC23CCC1(C1C24CCN(C3CC2=C4C(=C(O)C=C2)O1)CC1CC1)OC	1.2787536009528289	GombarHall	logCL
CNC1(CCCCC1=O)C1=CC=CC=C1Cl	1.2787536009528289	GombarHall	logCL
CC(CC1=CC=CC=C1)N(C)CC#C	1.3010299956639813	GombarHall	logCL
C1CN(CCC1NC(=O)C1=CC=CC=C1)CCC1=CNC2=CC=CC=C12	1.3010299956639813	GombarHall	logCL
CC1CC2=CC(=O)CCC2C2C1C1CCC(O)C1(C)CC2	1.3010299956639813	GombarHall	logCL
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO	1.3010299956639813	GombarHall	logCL
CCOC1=CC=C(C=C1)NC(=O)C	1.3222192947339193	GombarHall	logCL
CC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(O)C2	1.3424226808222062	GombarHall	logCL
C1CC(C1)CN1CCC23C4C(O)CCC2(O)C1CC1=C3C(=C(O)C=C1)O4	1.3424226808222062	GombarHall	logCL
CN1CC(C2=C(C1)C(=CC=C2)N)C1=CC=CC=C1	1.3424226808222062	GombarHall	logCL
C[N+]1(CCC23C4C(=O)CCC2(O)C1CC1=C3C(=C(O)C=C1)O4)CC1CC1	1.3424226808222062	GombarHall	logCL
CC1C2CC3=C(C1(C)CCN2CC=C(C)C)C=C(O)C=C3	1.3617278360175928	GombarHall	logCL
CC(CCC1=CC=CC=C1)NCC(O)C1=CC(=C(O)C=C1)C(=O)N	1.3617278360175928	GombarHall	logCL
C=CCN1CCC23C4C(=O)CCC2(O)C1CC1=C3C(=C(O)C=C1)O4	1.3617278360175928	GombarHall	logCL
C1=CC(=C(O)C=C1CC(N)C(=O)O)O	1.3617278360175928	GombarHall	logCL
CC1C(O)C(N)CC(O1)OC1CC(O)(CC2=C(O)C3=C(C(=C12)O)C(=O)C1=CC=CC=C1C3=O)C(=O)C	1.380211241711606	GombarHall	logCL
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO	1.1139433523068367	Varma2009	logCL
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C	1.0	Varma2009	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C	0.6020599913279624	Varma2009	logCL
CC(=O)NC1=CC=C(C=C1)O	0.6989700043360189	Varma2009	logCL
CC(=O)NC1=NN=C(S1)S(=O)(=O)N	-0.18708664335714442	Varma2009	logCL
CC(=O)OC1=CC=CC=C1C(=O)O	1.0791812460476249	Varma2009	logCL
C1=NC2=C(N1COCCO)N=C(NC2=O)N	0.6720978579357175	Varma2009	logCL
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N	0.568201724066995	Varma2009	logCL
CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	0.7923916894982539	Varma2009	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC	0.5910646070264992	Varma2009	logCL
C1=NNC2=C1C(=O)NC=N2	1.0413926851582251	Varma2009	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3	0.9493900066449128	Varma2009	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	-0.13076828026902382	Varma2009	logCL
CC(C)NCC(COC1=CC=CC=C1CC=C)O	1.1760912590556813	Varma2009	logCL
C1C2CC3CC1CC(C2)(C3)N	0.6812412373755872	Varma2009	logCL
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	0.8129133566428556	Varma2009	logCL
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I	0.2787536009528289	Varma2009	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC	0.8920946026904804	Varma2009	logCL
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	0.785329835010767	Varma2009	logCL
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	0.8450980400142568	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C	0.5185139398778874	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C	0.4471580313422192	Varma2009	logCL
C1=CN=CC=C1C2=CNC(=O)C(=C2)N	0.9493900066449128	Varma2009	logCL
CC1=CC(=O)N(N1C)C2=CC=CC=C2	-0.1938200260161128	Varma2009	logCL
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O	0.3979400086720376	Varma2009	logCL
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2	0.9684829485539351	Varma2009	logCL
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	-0.8239087409443188	Varma2009	logCL
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3	0.8808135922807914	Varma2009	logCL
CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl	0.9542425094393249	Varma2009	logCL
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	1.0	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)O)C	0.3979400086720376	Varma2009	logCL
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N	0.17609125905568124	Varma2009	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	0.4471580313422192	Varma2009	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O	0.5314789170422551	Varma2009	logCL
CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O	0.7403626894942439	Varma2009	logCL
CC1C2C(C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])C(C)O	0.3979400086720376	Varma2009	logCL
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O	0.568201724066995	Varma2009	logCL
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3	-0.2924298239020636	Varma2009	logCL
C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O	0.11394335230683679	Varma2009	logCL
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br	1.1139433523068367	Varma2009	logCL
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C	1.3010299956639813	Varma2009	logCL
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC	0.7481880270062004	Varma2009	logCL
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O	0.9493900066449128	Varma2009	logCL
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2	0.3979400086720376	Varma2009	logCL
CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	0.6334684555795865	Varma2009	logCL
CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O	1.2787536009528289	Varma2009	logCL
CS(=O)(=O)OCCCCOS(=O)(=O)C	0.38021124171160603	Varma2009	logCL
C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	1.6127838567197355	Varma2009	logCL
CN1C=NC2=C1C(=O)N(C(=O)N2C)C	0.146128035678238	Varma2009	logCL
CC(CS)C(=O)N1CCCC1C(=O)O	1.0791812460476249	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C	0.2787536009528289	Varma2009	logCL
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	0.17609125905568124	Varma2009	logCL
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O	0.8920946026904804	Varma2009	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	0.3979400086720376	Varma2009	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O	0.5563025007672873	Varma2009	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4	0.5185139398778874	Varma2009	logCL
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	-0.05060999335508721	Varma2009	logCL
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]	0.3424226808222063	Varma2009	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	0.2787536009528289	Varma2009	logCL
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O	0.0	Varma2009	logCL
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	0.43136376415898736	Varma2009	logCL
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]	0.38021124171160603	Varma2009	logCL
CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O	0.3222192947339193	Varma2009	logCL
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O	-0.585026652029182	Varma2009	logCL
CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	0.3424226808222063	Varma2009	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O	0.5910646070264992	Varma2009	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O	0.5185139398778874	Varma2009	logCL
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O	0.4623979978989561	Varma2009	logCL
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	0.4471580313422192	Varma2009	logCL
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	0.38021124171160603	Varma2009	logCL
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O	-0.431798275933005	Varma2009	logCL
CC1=C(SC=N1)CCCl	1.5185139398778875	Varma2009	logCL
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	0.6127838567197355	Varma2009	logCL
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	0.3979400086720376	Varma2009	logCL
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	1.2041199826559248	Varma2009	logCL
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl	-1.3467874862246563	Varma2009	logCL
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O	0.17609125905568124	Varma2009	logCL
C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4	0.9344984512435677	Varma2009	logCL
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	0.3979400086720376	Varma2009	logCL
CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)O)C	0.36172783601759284	Varma2009	logCL
COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3	-0.3010299956639812	Varma2009	logCL
CC1=C(N=CN1)CSCCNC(=NC)NC#N	0.9084850188786497	Varma2009	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	0.919078092376074	Varma2009	logCL
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	0.6334684555795865	Varma2009	logCL
C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	1.146128035678238	Varma2009	logCL
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O	0.4913616938342727	Varma2009	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O	0.6720978579357175	Varma2009	logCL
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl	0.6532125137753437	Varma2009	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl	-0.05551732784983137	Varma2009	logCL
C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl	0.6020599913279624	Varma2009	logCL
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42	0.3979400086720376	Varma2009	logCL
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC	1.505149978319906	Varma2009	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O	1.1760912590556813	Varma2009	logCL
C1CNP(=O)(OC1)N(CCCl)CCCl	0.04139268515822508	Varma2009	logCL
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	0.8750612633917001	Varma2009	logCL
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	-0.3187587626244128	Varma2009	logCL
CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C	-0.7958800173440752	Varma2009	logCL
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O	2.113943352306837	Varma2009	logCL
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31	1.0413926851582251	Varma2009	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	0.5185139398778874	Varma2009	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl	0.568201724066995	Varma2009	logCL
CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	0.4913616938342727	Varma2009	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3	-0.42021640338318983	Varma2009	logCL
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl	-1.2218487496163564	Varma2009	logCL
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl	0.5440680443502757	Varma2009	logCL
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.3010299956639812	Varma2009	logCL
C1CC(OC1CO)N2C=NC3=C2N=CNC3=O	1.0413926851582251	Varma2009	logCL
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	0.2304489213782739	Varma2009	logCL
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC	1.1139433523068367	Varma2009	logCL
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2	0.9912260756924949	Varma2009	logCL
CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O	1.0413926851582251	Varma2009	logCL
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C	-0.045757490560675115	Varma2009	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	1.146128035678238	Varma2009	logCL
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C	0.7160033436347992	Varma2009	logCL
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O	0.9777236052888477	Varma2009	logCL
CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31	1.146128035678238	Varma2009	logCL
CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O	1.0413926851582251	Varma2009	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	1.1760912590556813	Varma2009	logCL
CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	-0.3372421683184259	Varma2009	logCL
CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC	0.5440680443502757	Varma2009	logCL
CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O	0.2041199826559248	Varma2009	logCL
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC	1.1139433523068367	Varma2009	logCL
CCCN1C2=C(C(=O)NC1=O)NC=N2	0.6020599913279624	Varma2009	logCL
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N	1.0681858617461617	Varma2009	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	1.3010299956639813	Varma2009	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C	-0.4814860601221125	Varma2009	logCL
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O	0.2787536009528289	Varma2009	logCL
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O	0.7481880270062004	Varma2009	logCL
CCC(CO)NCCNC(CC)CO	1.0	Varma2009	logCL
CCNCC(C1=CC(=CC=C1)O)O	1.146128035678238	Varma2009	logCL
C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N	0.8195439355418687	Varma2009	logCL
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	1.0413926851582251	Varma2009	logCL
CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC	1.462397997898956	Varma2009	logCL
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3	0.6720978579357175	Varma2009	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C	0.38021124171160603	Varma2009	logCL
C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F	0.6901960800285137	Varma2009	logCL
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F	0.38021124171160603	Varma2009	logCL
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.38021124171160603	Varma2009	logCL
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	-0.5086383061657274	Varma2009	logCL
C1=NC(=O)NC(=C1F)N	0.3010299956639812	Varma2009	logCL
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C	1.2041199826559248	Varma2009	logCL
C1=C(C(=O)NC(=O)N1)F	1.414973347970818	Varma2009	logCL
CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N	0.2041199826559248	Varma2009	logCL
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.724275869600789	Varma2009	logCL
C(=O)(O)P(=O)(O)O	0.3222192947339193	Varma2009	logCL
CC1C(O1)P(=O)(O)O	0.3010299956639812	Varma2009	logCL
CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N	0.3979400086720376	Varma2009	logCL
C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl	0.38021124171160603	Varma2009	logCL
C1CCC(CC1)(CC(=O)O)CN	0.2304489213782739	Varma2009	logCL
CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O	0.7481880270062004	Varma2009	logCL
C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N	0.6627578316815741	Varma2009	logCL
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	0.4471580313422192	Varma2009	logCL
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F	1.505149978319906	Varma2009	logCL
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	0.0	Varma2009	logCL
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	-0.3010299956639812	Varma2009	logCL
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.25181197299379954	Varma2009	logCL
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.08618614761628333	Varma2009	logCL
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	0.9590413923210935	Varma2009	logCL
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl	0.7708520116421442	Varma2009	logCL
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	0.8920946026904804	Varma2009	logCL
CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2	0.5314789170422551	Varma2009	logCL
C1=CC=C2C(=C1)C=NN=C2NN	1.9294189257142926	Varma2009	logCL
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O	0.9637878273455552	Varma2009	logCL
C(=O)(N)NO	0.17609125905568124	Varma2009	logCL
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	-0.08618614761628333	Varma2009	logCL
CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	1.3979400086720377	Varma2009	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O	1.380211241711606	Varma2009	logCL
C1CN(P(=O)(OC1)NCCCl)CCCl	0.04139268515822508	Varma2009	logCL
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	0.5185139398778874	Varma2009	logCL
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31	1.1139433523068367	Varma2009	logCL
CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5	1.255272505103306	Varma2009	logCL
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	0.11394335230683679	Varma2009	logCL
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I	0.146128035678238	Varma2009	logCL
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	0.8450980400142568	Varma2009	logCL
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O	0.3010299956639812	Varma2009	logCL
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-1.154901959985743	Varma2009	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC	1.414973347970818	Varma2009	logCL
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	0.7075701760979364	Varma2009	logCL
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O	0.8260748027008264	Varma2009	logCL
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O	0.2041199826559248	Varma2009	logCL
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	-0.4559319556497244	Varma2009	logCL
CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O	1.3617278360175928	Varma2009	logCL
C1C(OC(S1)CO)N2C=CC(=NC2=O)N	0.6812412373755872	Varma2009	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F	0.6434526764861874	Varma2009	logCL
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	-0.24412514432750865	Varma2009	logCL
C1=CC(=C(C=C1CC(C(=O)O)N)O)O	1.3617278360175928	Varma2009	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.2787536009528289	Varma2009	logCL
CCN(CC)CC(=O)NC1=C(C=CC=C1C)C	1.2041199826559248	Varma2009	logCL
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	0.25527250510330607	Varma2009	logCL
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O	0.07918124604762482	Varma2009	logCL
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl	0.0	Varma2009	logCL
CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3	1.2041199826559248	Varma2009	logCL
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl	0.6020599913279624	Varma2009	logCL
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl	0.9138138523837167	Varma2009	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C	0.8573324964312685	Varma2009	logCL
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	1.1760912590556813	Varma2009	logCL
C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O	0.2787536009528289	Varma2009	logCL
CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-0.9208187539523752	Varma2009	logCL
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl	0.8450980400142568	Varma2009	logCL
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2	0.6901960800285137	Varma2009	logCL
CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O	1.4471580313422192	Varma2009	logCL
C1=NC2=C(N1)C(=S)N=CN2	1.1760912590556813	Varma2009	logCL
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O	0.5910646070264992	Varma2009	logCL
CN(C)C(=N)N=C(N)N	0.8692317197309762	Varma2009	logCL
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	0.2304489213782739	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C	0.8195439355418687	Varma2009	logCL
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.3222192947339193	Varma2009	logCL
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N	0.5440680443502757	Varma2009	logCL
COC(=O)C(C1CCCCN1)C2=CC=CC=C2	-0.2596373105057561	Varma2009	logCL
CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O	0.785329835010767	Varma2009	logCL
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl	0.7558748556724915	Varma2009	logCL
C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C	0.07918124604762482	Varma2009	logCL
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl	0.146128035678238	Varma2009	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O	1.1139433523068367	Varma2009	logCL
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I	0.43136376415898736	Varma2009	logCL
CC1=NC=C(N1CCO)[N+](=O)[O-]	-0.07058107428570728	Varma2009	logCL
CC1=C(C(=CC=C1)C)OCC(C)N	0.919078092376074	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C	0.7185016888672743	Varma2009	logCL
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	0.724275869600789	Varma2009	logCL
C1C(C(C(C(N1CCO)CO)O)O)O	0.2304489213782739	Varma2009	logCL
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2	0.7923916894982539	Varma2009	logCL
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4	0.9030899869919435	Varma2009	logCL
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	0.8976270912904415	Varma2009	logCL
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl	1.0	Varma2009	logCL
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O	-0.16749108729376366	Varma2009	logCL
CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O	1.414973347970818	Varma2009	logCL
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O	-0.14266750356873156	Varma2009	logCL
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	0.38021124171160603	Varma2009	logCL
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC	1.0413926851582251	Varma2009	logCL
CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O	0.4623979978989561	Varma2009	logCL
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.5185139398778874	Varma2009	logCL
C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O	1.3424226808222062	Varma2009	logCL
C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O	1.1760912590556813	Varma2009	logCL
C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O	1.3617278360175928	Varma2009	logCL
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C	0.8195439355418687	Varma2009	logCL
CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O	0.25527250510330607	Varma2009	logCL
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl	0.8750612633917001	Varma2009	logCL
CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N	-0.2596373105057561	Varma2009	logCL
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	-0.5228787452803376	Varma2009	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	1.0413926851582251	Varma2009	logCL
CN1CCCC1C2=CN=CC=C2	1.255272505103306	Varma2009	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	0.8633228601204559	Varma2009	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	1.1760912590556813	Varma2009	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	1.1760912590556813	Varma2009	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	-0.06550154875643228	Varma2009	logCL
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C	1.3979400086720377	Varma2009	logCL
C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]	0.9867717342662449	Varma2009	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C	0.9912260756924949	Varma2009	logCL
CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3	1.3424226808222062	Varma2009	logCL
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	1.0	Varma2009	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.5440680443502757	Varma2009	logCL
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC	0.9242792860618817	Varma2009	logCL
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O	0.6812412373755872	Varma2009	logCL
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.7993405494535817	Varma2009	logCL
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O	0.04139268515822508	Varma2009	logCL
CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O	0.785329835010767	Varma2009	logCL
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O	0.3010299956639812	Varma2009	logCL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	0.8061799739838872	Varma2009	logCL
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC	0.3424226808222063	Varma2009	logCL
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	1.0413926851582251	Varma2009	logCL
CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C	-0.05060999335508721	Varma2009	logCL
C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4	1.255272505103306	Varma2009	logCL
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O	0.3010299956639812	Varma2009	logCL
C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N	0.9242792860618817	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	0.8388490907372553	Varma2009	logCL
CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O	1.3617278360175928	Varma2009	logCL
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	1.4313637641589874	Varma2009	logCL
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3	0.7075701760979364	Varma2009	logCL
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	-1.2006594505464183	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	0.8325089127062363	Varma2009	logCL
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O	0.8864907251724818	Varma2009	logCL
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.6020599913279624	Varma2009	logCL
C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3	0.4913616938342727	Varma2009	logCL
C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N	0.8920946026904804	Varma2009	logCL
CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C	0.25527250510330607	Varma2009	logCL
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O	0.3010299956639812	Varma2009	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O	1.146128035678238	Varma2009	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC	0.6720978579357175	Varma2009	logCL
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O	0.4623979978989561	Varma2009	logCL
CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C	0.3979400086720376	Varma2009	logCL
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	-0.6020599913279624	Varma2009	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	1.0	Varma2009	logCL
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C	1.146128035678238	Varma2009	logCL
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	1.0791812460476249	Varma2009	logCL
CCCC1=CC(=O)NC(=S)N1	0.4913616938342727	Varma2009	logCL
C[N+]1=CC=CC(=C1)OC(=O)N(C)C	0.9822712330395684	Varma2009	logCL
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O	-0.03151705144606486	Varma2009	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.6020599913279624	Varma2009	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.2787536009528289	Varma2009	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	0.6020599913279624	Varma2009	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C	0.9822712330395684	Varma2009	logCL
CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3	-0.08618614761628333	Varma2009	logCL
CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C	0.6532125137753437	Varma2009	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC	1.568201724066995	Varma2009	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC	0.2304489213782739	Varma2009	logCL
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O	0.8920946026904804	Varma2009	logCL
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N	0.7160033436347992	Varma2009	logCL
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C	0.38021124171160603	Varma2009	logCL
CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C	0.17609125905568124	Varma2009	logCL
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.17609125905568124	Varma2009	logCL
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	0.7323937598229685	Varma2009	logCL
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C	1.0791812460476249	Varma2009	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3	1.2787536009528289	Varma2009	logCL
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3	-0.18708664335714442	Varma2009	logCL
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	1.0413926851582251	Varma2009	logCL
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O	0.8920946026904804	Varma2009	logCL
CC(C1C2N(C1=O)C(=C(S2)SCCOC(=O)N)C(=O)O)O	0.8750612633917001	Varma2009	logCL
CC(CC1=CC=CC=C1)N(C)CC#C	1.3010299956639813	Varma2009	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C	0.568201724066995	Varma2009	logCL
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C	0.9590413923210935	Varma2009	logCL
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O	0.0	Varma2009	logCL
C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F	0.568201724066995	Varma2009	logCL
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N	0.7781512503836436	Varma2009	logCL
C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5	0.3222192947339193	Varma2009	logCL
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	0.3010299956639812	Varma2009	logCL
CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F	0.43136376415898736	Varma2009	logCL
CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO	0.9138138523837167	Varma2009	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC	1.1760912590556813	Varma2009	logCL
CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C	0.7075701760979364	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C	0.2041199826559248	Varma2009	logCL
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.2596373105057561	Varma2009	logCL
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.44369749923271273	Varma2009	logCL
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4	-0.46852108295774486	Varma2009	logCL
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	-0.5228787452803376	Varma2009	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC	0.26245108973042947	Varma2009	logCL
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C	1.2787536009528289	Varma2009	logCL
CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O	-0.11918640771920865	Varma2009	logCL
CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C	-2.2441251443275085	Varma2009	logCL
C1CCC2=NC3=CC=CC=C3C(=C2C1)N	1.7481880270062005	Varma2009	logCL
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	-0.1549019599857432	Varma2009	logCL
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O	0.6901960800285137	Varma2009	logCL
CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N	-0.20760831050174613	Varma2009	logCL
CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC	1.255272505103306	Varma2009	logCL
CCCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)Cl)CO)O)O	-0.769551078621726	Varma2009	logCL
CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C	1.146128035678238	Varma2009	logCL
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C	0.9242792860618817	Varma2009	logCL
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O	-0.721246399047171	Varma2009	logCL
CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O	0.4913616938342727	Varma2009	logCL
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3	-1.5228787452803376	Varma2009	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC	0.04139268515822508	Varma2009	logCL
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O	0.5314789170422551	Varma2009	logCL
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C	0.04139268515822508	Varma2009	logCL
CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O	-1.408935392973501	Varma2009	logCL
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	0.17609125905568124	Varma2009	logCL
CN1C2=C(C(=O)N(C1=O)C)NC=N2	-0.06550154875643228	Varma2009	logCL
CCCC(C)C1(C(=O)NC(=S)NC1=O)CC	0.9138138523837167	Varma2009	logCL
C1CN1P(=S)(N2CC2)N3CC3	0.8260748027008264	Varma2009	logCL
CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C	0.2041199826559248	Varma2009	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C	0.3424226808222063	Varma2009	logCL
CC(C)(C)NCC(=O)NC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C	0.5797835966168101	Varma2009	logCL
CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2	1.2041199826559248	Varma2009	logCL
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O	0.9294189257142927	Varma2009	logCL
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C	-0.2218487496163564	Varma2009	logCL
CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O	0.6334684555795865	Varma2009	logCL
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl	1.0413926851582251	Varma2009	logCL
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N	0.2041199826559248	Varma2009	logCL
CC1=C(C(=CC=C1)C)NC(=O)C(C)N	0.3424226808222063	Varma2009	logCL
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C	-0.6777807052660807	Varma2009	logCL
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]	0.2787536009528289	Varma2009	logCL
CC1=CC(=CC=C1)N2CC(OC2=O)CO	1.0413926851582251	Varma2009	logCL
CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2	0.9242792860618817	Varma2009	logCL
CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C)C(=O)N4CCC(C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O	0.2787536009528289	Varma2009	logCL
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	1.1139433523068367	Varma2009	logCL
CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C	-0.27572413039921095	Varma2009	logCL
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O	0.8129133566428556	Varma2009	logCL
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O	1.4313637641589874	Varma2009	logCL
C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N	1.7993405494535817	Varma2009	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl	0.47712125471966244	Varma2009	logCL
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	0.3222192947339193	Varma2009	logCL
CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC	-0.11350927482751812	Varma2009	logCL
C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F	0.146128035678238	Varma2009	logCL
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC	0.5314789170422551	Varma2009	logCL
CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2	0.7781512503836436	Varma2009	logCL
CCCC(CCC)C(=O)O	-0.7958800173440752	Varma2009	logCL
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O	-0.3098039199714863	Varma2009	logCL
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	0.11394335230683679	Varma2009	logCL
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	1.1139433523068367	Varma2009	logCL
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O	1.146128035678238	Varma2009	logCL
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	1.255272505103306	Varma2009	logCL
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	0.4913616938342727	Varma2009	logCL
CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	1.3010299956639813	Varma2009	logCL
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	-1.2596373105057561	Varma2009	logCL
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O	0.47712125471966244	Varma2009	logCL
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C	1.2041199826559248	Varma2009	logCL
CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N	0.2041199826559248	Varma2009	logCL
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]	1.3979400086720377	Varma2009	logCL
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54	0.7075701760979364	Varma2009	logCL
C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.3424226808222063	Varma2009	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3	0.8260748027008264	Varma2009	logCL
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C	0.6334684555795865	Varma2009	logCL
CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl	0.5185139398778874	Varma2009	logCL
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO	0.3424226808222063	Varma2010	logCL
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C	1.0	Varma2010	logCL
CC(=O)NC1=CC=C(C=C1)O	0.6989700043360189	Varma2010	logCL
C1=NC2=C(N1COCCO)N=C(NC2=O)N	0.6720978579357175	Varma2010	logCL
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N	0.568201724066995	Varma2010	logCL
CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	0.7923916894982539	Varma2010	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC	0.5910646070264992	Varma2010	logCL
COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2	0.8195439355418687	Varma2010	logCL
C1=NNC2=C1C(=O)NC=N2	1.0413926851582251	Varma2010	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	-0.13076828026902382	Varma2010	logCL
CC(C)NCC(COC1=CC=CC=C1CC=C)O	1.1760912590556813	Varma2010	logCL
C1C2CC3CC1CC(C2)(C3)N	0.6812412373755872	Varma2010	logCL
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I	0.2787536009528289	Varma2010	logCL
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC	0.8920946026904804	Varma2010	logCL
CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	0.785329835010767	Varma2010	logCL
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	0.8450980400142568	Varma2010	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C	0.5185139398778874	Varma2010	logCL
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O	-0.3372421683184259	Varma2010	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C	0.4471580313422192	Varma2010	logCL
CC1=CC(=O)N(N1C)C2=CC=CC=C2	-0.1938200260161128	Varma2010	logCL
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O	0.3979400086720376	Varma2010	logCL
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2	0.9684829485539351	Varma2010	logCL
C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	-0.8239087409443188	Varma2010	logCL
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3	0.8808135922807914	Varma2010	logCL
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	1.0	Varma2010	logCL
CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N	0.17609125905568124	Varma2010	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O	0.5314789170422551	Varma2010	logCL
C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O	1.0791812460476249	Varma2010	logCL
CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O	0.568201724066995	Varma2010	logCL
C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3	-0.2924298239020636	Varma2010	logCL
C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O	0.11394335230683679	Varma2010	logCL
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C	1.3010299956639813	Varma2010	logCL
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC	0.7481880270062004	Varma2010	logCL
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O	0.9493900066449128	Varma2010	logCL
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2	0.3979400086720376	Varma2010	logCL
CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	0.6334684555795865	Varma2010	logCL
CS(=O)(=O)OCCCCOS(=O)(=O)C	0.38021124171160603	Varma2010	logCL
CN1C=NC2=C1C(=O)N(C(=O)N2C)C	0.146128035678238	Varma2010	logCL
CC(CS)C(=O)N1CCCC1C(=O)O	1.0791812460476249	Varma2010	logCL
C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	0.17609125905568124	Varma2010	logCL
COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O	0.8920946026904804	Varma2010	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	0.3979400086720376	Varma2010	logCL
C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4	0.5185139398778874	Varma2010	logCL
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	-0.05060999335508721	Varma2010	logCL
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)O)SC2)C(=O)O	0.414973347970818	Varma2010	logCL
C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]	0.3424226808222063	Varma2010	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	0.2787536009528289	Varma2010	logCL
C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O	0.0	Varma2010	logCL
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O	-0.585026652029182	Varma2010	logCL
CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	0.3424226808222063	Varma2010	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O	0.5910646070264992	Varma2010	logCL
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O	0.5185139398778874	Varma2010	logCL
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O	0.4623979978989561	Varma2010	logCL
C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	0.4471580313422192	Varma2010	logCL
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	0.38021124171160603	Varma2010	logCL
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O	-0.431798275933005	Varma2010	logCL
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	0.6127838567197355	Varma2010	logCL
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	0.3979400086720376	Varma2010	logCL
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	1.2041199826559248	Varma2010	logCL
CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl	-1.3467874862246563	Varma2010	logCL
C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O	0.17609125905568124	Varma2010	logCL
C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4	0.9344984512435677	Varma2010	logCL
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	0.3979400086720376	Varma2010	logCL
COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3	-0.3010299956639812	Varma2010	logCL
CC1=C(N=CN1)CSCCNC(=NC)NC#N	0.9084850188786497	Varma2010	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	0.919078092376074	Varma2010	logCL
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	0.6334684555795865	Varma2010	logCL
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	0.8633228601204559	Varma2010	logCL
C1C2N(C1=O)C(C(=CCO)O2)C(=O)O	0.4913616938342727	Varma2010	logCL
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O	0.6720978579357175	Varma2010	logCL
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl	0.6532125137753437	Varma2010	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl	-0.05551732784983137	Varma2010	logCL
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.2041199826559248	Varma2010	logCL
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42	0.3979400086720376	Varma2010	logCL
CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6	0.47712125471966244	Varma2010	logCL
CN1C(CCC1=O)C2=CN=CC=C2	-0.05060999335508721	Varma2010	logCL
C1CNP(=O)(OC1)N(CCCl)CCCl	0.04139268515822508	Varma2010	logCL
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	0.8750612633917001	Varma2010	logCL
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	-0.3187587626244128	Varma2010	logCL
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31	1.0413926851582251	Varma2010	logCL
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	0.5185139398778874	Varma2010	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl	0.568201724066995	Varma2010	logCL
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3	-0.42021640338318983	Varma2010	logCL
CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl	-1.2218487496163564	Varma2010	logCL
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl	0.5440680443502757	Varma2010	logCL
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	0.3010299956639812	Varma2010	logCL
C1CC(OC1CO)N2C=NC3=C2N=CNC3=O	1.0413926851582251	Varma2010	logCL
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	0.2304489213782739	Varma2010	logCL
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl	1.1139433523068367	Varma2010	logCL
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O	0.6812412373755872	Varma2010	logCL
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C	-0.045757490560675115	Varma2010	logCL
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C	0.7160033436347992	Varma2010	logCL
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O	0.9777236052888477	Varma2010	logCL
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4	0.724275869600789	Varma2010	logCL
CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O	1.0413926851582251	Varma2010	logCL
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	1.1760912590556813	Varma2010	logCL
CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	-0.3372421683184259	Varma2010	logCL
CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC	0.5440680443502757	Varma2010	logCL
CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O	0.2041199826559248	Varma2010	logCL
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC	1.1139433523068367	Varma2010	logCL
CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N	1.0681858617461617	Varma2010	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C	-0.4814860601221125	Varma2010	logCL
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O	0.2787536009528289	Varma2010	logCL
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O	0.7481880270062004	Varma2010	logCL
CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl	-0.026872146400301365	Varma2010	logCL
CCNCC(C1=CC(=CC=C1)O)O	1.146128035678238	Varma2010	logCL
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	-0.3010299956639812	Varma2010	logCL
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	1.0413926851582251	Varma2010	logCL
C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3	0.414973347970818	Varma2010	logCL
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C	0.38021124171160603	Varma2010	logCL
C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F	0.6901960800285137	Varma2010	logCL
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F	0.38021124171160603	Varma2010	logCL
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	-0.5086383061657274	Varma2010	logCL
C1=NC(=O)NC(=C1F)N	0.3010299956639812	Varma2010	logCL
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C	1.2041199826559248	Varma2010	logCL
CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N	0.2041199826559248	Varma2010	logCL
CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F	1.2041199826559248	Varma2010	logCL
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.724275869600789	Varma2010	logCL
C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]	0.3222192947339193	Varma2010	logCL
CC1C(O1)P(=O)(O)O	0.3010299956639812	Varma2010	logCL
CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N	0.3979400086720376	Varma2010	logCL
C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl	0.38021124171160603	Varma2010	logCL
C1CCC(CC1)(CC(=O)O)CN	0.2304489213782739	Varma2010	logCL
C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N	0.6627578316815741	Varma2010	logCL
CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	0.4471580313422192	Varma2010	logCL
CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)C	-0.721246399047171	Varma2010	logCL
CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	0.0	Varma2010	logCL
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O	0.36172783601759284	Varma2010	logCL
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O	0.36172783601759284	Varma2010	logCL
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	-0.3010299956639812	Varma2010	logCL
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.25181197299379954	Varma2010	logCL
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	-0.08618614761628333	Varma2010	logCL
CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	0.9590413923210935	Varma2010	logCL
C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl	0.7708520116421442	Varma2010	logCL
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	0.8920946026904804	Varma2010	logCL
C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1	0.9867717342662449	Varma2010	logCL
C(=O)(N)NO	0.17609125905568124	Varma2010	logCL
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	-0.08618614761628333	Varma2010	logCL
C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl	1.0	Varma2010	logCL
C1CN(P(=O)(OC1)NCCCl)CCCl	0.04139268515822508	Varma2010	logCL
CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O	0.47712125471966244	Varma2010	logCL
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	0.11394335230683679	Varma2010	logCL
C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O	0.3010299956639812	Varma2010	logCL
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-1.154901959985743	Varma2010	logCL
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	0.7075701760979364	Varma2010	logCL
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O	0.8260748027008264	Varma2010	logCL
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O	0.2041199826559248	Varma2010	logCL
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	-0.4559319556497244	Varma2010	logCL
C1C(OC(S1)CO)N2C=CC(=NC2=O)N	0.6812412373755872	Varma2010	logCL
C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N	-0.2218487496163564	Varma2010	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F	0.6434526764861874	Varma2010	logCL
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	-0.24412514432750865	Varma2010	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.2787536009528289	Varma2010	logCL
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C	0.9956351945975499	Varma2010	logCL
CNCC(CC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O	1.089905111439398	Varma2010	logCL
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	0.25527250510330607	Varma2010	logCL
C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O	0.07918124604762482	Varma2010	logCL
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl	0.0	Varma2010	logCL
CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3	1.2041199826559248	Varma2010	logCL
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl	0.6020599913279624	Varma2010	logCL
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl	0.9138138523837167	Varma2010	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C	0.8573324964312685	Varma2010	logCL
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl	0.0	Varma2010	logCL
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	1.1760912590556813	Varma2010	logCL
C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O	0.2787536009528289	Varma2010	logCL
CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O	-0.9208187539523752	Varma2010	logCL
CN(C)C(=N)N=C(N)N	0.8692317197309762	Varma2010	logCL
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	0.2304489213782739	Varma2010	logCL
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	0.3222192947339193	Varma2010	logCL
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N	0.5440680443502757	Varma2010	logCL
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl	0.7558748556724915	Varma2010	logCL
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl	0.146128035678238	Varma2010	logCL
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O	1.1139433523068367	Varma2010	logCL
CC1=NC=C(N1CCO)[N+](=O)[O-]	-0.07058107428570728	Varma2010	logCL
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	0.724275869600789	Varma2010	logCL
C1C(C(C(C(N1CCO)CO)O)O)O	0.2304489213782739	Varma2010	logCL
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2	0.7923916894982539	Varma2010	logCL
CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C	0.07918124604762482	Varma2010	logCL
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4	0.9030899869919435	Varma2010	logCL
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl	1.0	Varma2010	logCL
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O	-0.16749108729376366	Varma2010	logCL
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	0.38021124171160603	Varma2010	logCL
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC	1.0413926851582251	Varma2010	logCL
CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O	0.4623979978989561	Varma2010	logCL
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C	0.8195439355418687	Varma2010	logCL
CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O	0.25527250510330607	Varma2010	logCL
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl	0.8750612633917001	Varma2010	logCL
CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	0.9637878273455552	Varma2010	logCL
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	-0.5228787452803376	Varma2010	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	1.0413926851582251	Varma2010	logCL
CN1CCCC1C2=CN=CC=C2	1.255272505103306	Varma2010	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	0.8633228601204559	Varma2010	logCL
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	1.1760912590556813	Varma2010	logCL
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	1.1760912590556813	Varma2010	logCL
C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	-0.06550154875643228	Varma2010	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C	0.9912260756924949	Varma2010	logCL
CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3	1.3424226808222062	Varma2010	logCL
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl	1.0	Varma2010	logCL
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	0.5440680443502757	Varma2010	logCL
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O	0.07918124604762482	Varma2010	logCL
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC	0.9242792860618817	Varma2010	logCL
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C	0.7634279935629372	Varma2010	logCL
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O	0.6812412373755872	Varma2010	logCL
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O	0.04139268515822508	Varma2010	logCL
C1C(CN(C1=O)CC(=O)N)O	0.25527250510330607	Varma2010	logCL
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC	0.3424226808222063	Varma2010	logCL
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	1.0413926851582251	Varma2010	logCL
CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C	-0.05060999335508721	Varma2010	logCL
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O	0.3010299956639812	Varma2010	logCL
C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N	0.9242792860618817	Varma2010	logCL
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3	0.7075701760979364	Varma2010	logCL
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	-1.2006594505464183	Varma2010	logCL
CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	0.8325089127062363	Varma2010	logCL
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3	-0.431798275933005	Varma2010	logCL
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C	1.3424226808222062	Varma2010	logCL
CC(C)NCC(COC1=CC=CC2=C1C=CN2)O	0.8864907251724818	Varma2010	logCL
CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C	0.25527250510330607	Varma2010	logCL
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O	0.3010299956639812	Varma2010	logCL
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O	1.146128035678238	Varma2010	logCL
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC	0.6720978579357175	Varma2010	logCL
CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O	0.4623979978989561	Varma2010	logCL
CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C	0.3979400086720376	Varma2010	logCL
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	-0.6020599913279624	Varma2010	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	1.0	Varma2010	logCL
C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O	-0.06550154875643228	Varma2010	logCL
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	1.0791812460476249	Varma2010	logCL
CCCC1=CC(=O)NC(=S)N1	0.4913616938342727	Varma2010	logCL
C[N+]1=CC=CC(=C1)OC(=O)N(C)C	0.9822712330395684	Varma2010	logCL
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O	-0.03151705144606486	Varma2010	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.6020599913279624	Varma2010	logCL
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	0.2787536009528289	Varma2010	logCL
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	0.6020599913279624	Varma2010	logCL
CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C	0.9822712330395684	Varma2010	logCL
CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3	-0.08618614761628333	Varma2010	logCL
CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C	0.6532125137753437	Varma2010	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC	0.2304489213782739	Varma2010	logCL
CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O	0.8920946026904804	Varma2010	logCL
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C	0.38021124171160603	Varma2010	logCL
CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C	0.17609125905568124	Varma2010	logCL
C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O	0.17609125905568124	Varma2010	logCL
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	0.7323937598229685	Varma2010	logCL
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O	0.07918124604762482	Varma2010	logCL
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O	-1.0861861476162833	Varma2010	logCL
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3	-0.18708664335714442	Varma2010	logCL
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	1.0413926851582251	Varma2010	logCL
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O	0.8920946026904804	Varma2010	logCL
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O	1.1139433523068367	Varma2010	logCL
CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4	1.2041199826559248	Varma2010	logCL
CC(CC1=CC=CC=C1)N(C)CC#C.Cl	1.3010299956639813	Varma2010	logCL
CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C.Cl	0.568201724066995	Varma2010	logCL
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C	0.9590413923210935	Varma2010	logCL
C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F	0.568201724066995	Varma2010	logCL
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N	0.7781512503836436	Varma2010	logCL
C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O	0.3222192947339193	Varma2010	logCL
CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	0.3010299956639812	Varma2010	logCL
CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F	0.43136376415898736	Varma2010	logCL
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC	1.1760912590556813	Varma2010	logCL
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.2596373105057561	Varma2010	logCL
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	-0.44369749923271273	Varma2010	logCL
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O	-0.619788758288394	Varma2010	logCL
C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4	-0.46852108295774486	Varma2010	logCL
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	-0.5228787452803376	Varma2010	logCL
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC	0.26245108973042947	Varma2010	logCL
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C	1.2787536009528289	Varma2010	logCL
CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O	-0.11918640771920865	Varma2010	logCL
CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C	-2.2441251443275085	Varma2010	logCL
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	-0.1549019599857432	Varma2010	logCL
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O	0.6901960800285137	Varma2010	logCL
CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N	-0.20760831050174613	Varma2010	logCL
CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC	1.255272505103306	Varma2010	logCL
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C	0.9242792860618817	Varma2010	logCL
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3	-1.5228787452803376	Varma2010	logCL
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C	0.04139268515822508	Varma2010	logCL
CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O	0.5314789170422551	Varma2010	logCL
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C	0.04139268515822508	Varma2010	logCL
CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O	-1.408935392973501	Varma2010	logCL
CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	0.17609125905568124	Varma2010	logCL
CN1C2=C(C(=O)N(C1=O)C)NC=N2	-0.06550154875643228	Varma2010	logCL
CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C	0.2041199826559248	Varma2010	logCL
CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2	1.2041199826559248	Varma2010	logCL
CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O	0.9294189257142927	Varma2010	logCL
CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C	-0.2218487496163564	Varma2010	logCL
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl	1.0413926851582251	Varma2010	logCL
CC1=C(C(=CC=C1)C)NC(=O)C(C)N	0.3424226808222063	Varma2010	logCL
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C	-0.6777807052660807	Varma2010	logCL
CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2	0.9242792860618817	Varma2010	logCL
CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C	-0.27572413039921095	Varma2010	logCL
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O	0.8129133566428556	Varma2010	logCL
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl	0.146128035678238	Varma2010	logCL
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl	0.47712125471966244	Varma2010	logCL
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	0.3222192947339193	Varma2010	logCL
C1C2C(C2[NH3+])CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)[O-])F	0.146128035678238	Varma2010	logCL
CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC	0.4913616938342727	Varma2010	logCL
CCCC(CCC)C(=O)O	-0.7958800173440752	Varma2010	logCL
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O	-0.3098039199714863	Varma2010	logCL
	0.11394335230683679	Varma2010	logCL
CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	1.1139433523068367	Varma2010	logCL
CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O	1.146128035678238	Varma2010	logCL
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	1.255272505103306	Varma2010	logCL
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	0.4913616938342727	Varma2010	logCL
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	-1.2596373105057561	Varma2010	logCL
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O	0.47712125471966244	Varma2010	logCL
C1CC(OC1CO)N2C=CC(=NC2=O)N	0.7481880270062004	Varma2010	logCL
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C	1.2041199826559248	Varma2010	logCL
CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N	0.2041199826559248	Varma2010	logCL
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54	0.7075701760979364	Varma2010	logCL
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3	0.8260748027008264	Varma2010	logCL
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C	0.6334684555795865	Varma2010	logCL
CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl	0.5185139398778874	Varma2010	logCL