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SMILES,mazzatorta,swiss
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0001372533562906347,0.00013496580117055152
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647194701359843,0.0002764719511333511
CCSCSP(=S)(OCC)OCC,0.0006144925612602997,0.0006144925475253195
CCOP(=O)(SC(CC)C)SC(CC)C,0.0009245829520661433,0.0008210296720157477
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.001659247904766673,0.08332310268057162
CCOP(=S)(SCSC(C)(C)C)OCC,0.002438483757733518,0.00034670385697674235
COP(=O)(SC)N,0.003046853953236319,0.0020548549325897737
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.003445751195813495,0.0033630532459809582
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,0.004149212048673449,0.004149211896481245
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.00467202701142753,0.0039030031199302137
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.005201883810203027,0.004681695305160139
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.005274306112287868,0.0035601567181414275
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.0054376113486863924,0.0636200517424888
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.005451835179110433,0.008508644649457775
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,0.005601647965290344,0.005601648122412352
CSc1ccc(cc1C)OP(=S)(OC)OC,0.005892327205528613,0.0016527259802523342
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.006341300659739408,0.023779877474022784
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,0.006820319755914397,0.006820319575237628
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.00694452873492003,0.01932390597300771
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.007126617932723449,0.015481963173347177
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.007825509706097071,0.009886227162529472
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.009301369775521361,0.003100456591840454
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.009924832004782804,0.04157699893895499
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.010036375840596658,0.12545469800745823
COP(=O)(OC=C(Cl)Cl)OC,0.010068978612765365,0.010408382170442241
CCCSP(=O)(SCCC)OCC,0.011141416681473747,0.006065882533527741
CNC(=O)CSP(=S)(OC)OC,0.011450010084732691,0.000872381733741038
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.011992948803251567,0.01642869699075557
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.01448347496337274,0.010428101697378017
N#Cc1c(Cl)cccc1Cl,0.014533918736325764,0.0186034162597095
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.015042627044387032,0.08141821878808377
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.016019730669239306,0.05030195369030707
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.01672571818640967,0.05707983190600125
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.017185416964361586,0.017185417014945824
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,0.01808617712680377,0.01616065190994549
OC(=O)C(CCP(=O)(O)C)N,0.019323475195614302,1.2637552440957067
CCN(C(=O)SCc1ccc(cc1)Cl)CC,0.019396419126203733,0.016680921188449865
OC(=O)COc1ccc(cc1C)Cl,0.019938294964743114,0.0947069010825298
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.021874904009467275,0.04835505096829608
CNC(=O)ON=C(C(=O)N(C)C)SC,0.02280382932847922,0.02072868120754643
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.02446221194980985,0.4023390123323988
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.026276896280264014,0.007293179580314936
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.026692119922880408,0.0068777238395693234
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.030365547751564796,0.005938151689011985
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.03318543029523152,0.08196801536106943
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,0.03331771398901528,0.042646674541424644
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,0.03336499327732185,0.036799624938222635
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.03400568081866287,0.20067507097305953
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.03828744186371015,0.15527684755838006
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.038746408312020406,0.08469772512288609
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.04102878665011248,0.03544887229174679
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.041276958181115306,0.1242747128033579
CN(C(=S)SSC(=S)N(C)C)C,0.04432283415923257,0.03036190470594063
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.044873074905021335,0.045407278177700156
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.04569504751402555,0.009139009427670286
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.047557630336441704,0.23778815168220852
CON(C(=O)Nc1ccc(cc1)Br)C,0.048243951057630914,0.014357399945172603
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.05165383561566402,0.17867678986550448
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.051834835094095484,0.27357274077439286
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.05203825886364726,0.05161859628615915
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.05279126047017867,0.16893203350457175
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.05560351873894184,0.23816840526513422
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,0.06073132568962639,0.060497742776698574
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.06152148673385627,0.05706818624978773
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.06360487171247954,0.06009909138187043
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.06423944765895072,1.605986191473768
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.06459882942614491,0.10157735340683115
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.06690994773808298,0.19325167158375256
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.0690593023384914,0.06773123883198195
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.06987675250196507,0.05590140200157206
CSc1nnc(c(=O)n1N)C(C)(C)C,0.06999926640768805,0.06393266242893511
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,0.07306609422899836,0.062106180868884746
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.0760257762657501,0.5473855891134007
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.07768900686568829,0.05166319030658296
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.08510674803234901,0.08272375649019124
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.08969617860069455,0.41719152837532353
Nc1nc(NC2CC2)nc(n1)N,0.09026150563412319,0.9387196585948812
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.10391366164191661,0.09203781459712614
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.11058877880543937,0.14653013191720715
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.11151045196043953,0.11151045388522976
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.11395676083924232,0.011395676083924233
CCNc1nc(NC(C)C)nc(n1)Cl,0.11591071091933607,0.056718974985359355
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.1274956638724717,0.034848813981213346
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.13459866849613178,0.05350296944357954
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13618183361575933,0.13731668655832788
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.13932359364492994,0.03634528529867737
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.1403669879303106,0.0038990829980641837
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.15252975563710267,1.6952764753748983
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.1560686482307559,0.14982590230152565
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.15801925526767843,0.15801924849469393
Cc1cccc2c1n1cnnc1s2,0.16381576159162972,0.1373938645607217
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.16929970598735858,0.13747135609511818
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.1697708869122168,0.061250674376451514
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.17813968959673715,0.3034972489425892
CN1CN(C)CSC1=S,0.18486987933542975,0.027422365728598172
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.18534506246313948,0.22661523159035935
CNC(=O)Oc1cccc2c1cccc2,0.1878529324240324,0.2991731924668564
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.19051986050321804,0.2098341392275743
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.21766590408142725,0.22201922216305578
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.21976935578028234,0.06424027322808253
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.22010285589875195,0.041269285481015994
CNC(=O)Oc1ccccc1OC(C)C,0.23895810443138246,0.22939978025412716
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.23935747721355113,0.39446112244793224
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.24848916516834604,0.9318343693812976
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.25479642918707424,0.0186990521567307
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.316253365684832,0.05492821614526029
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.3693416417277341,0.04432099700732809
COC(=O)Nc1nc2c([nH]1)cccc2,0.3922867840256219,1.3076226134187396
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.4356352632556343,0.4315900691721648
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.443217671652664,0.4553054263341003
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.44864352207850955,0.4774244272684517
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.4534134152107278,0.06546156290207059
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.5494924735209582,0.07465930346752149
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.6205388929259232,0.2603236331298995
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.655542030995076,0.31203800675365617
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.6631652440985374,0.08430066662269543
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.9419645496713847,0.5651787298028309
ClCCP(=O)(O)O,1.4025957248513201,0.9066120392542251
CC(OC(=O)Nc1cccc(c1)Cl)C,3.510237115113031,0.14040948460452124
OC(=O)CNCP(=O)(O)O,5.914602135360638,5.350743398456257
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