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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,0.00013725,0.00013497
CCOP(=S)(SCSC(C)(C)C)OCC,0.00020802,0.0003467
CCOP(=O)(SC(CC)C)SC(CC)C,0.00092458,0.00082103
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.0016592,0.083323
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.00344575,0.0033631
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.00471335,0.0039030000000000002
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.0049447,0.0015164
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.0052019,0.0046817
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.0054376,0.06362
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.0063413,0.02378
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.0069445,0.0092092
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.0070905,0.0085086
CSc1ccc(cc1C)OP(=S)(OC)OC,0.0075449,0.00071858
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.0078255,0.0098862
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.0093014,0.0031005
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.0099248,0.041577
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.010036,0.12545
CCCSP(=O)(SCCC)OCC,0.011141,0.0060661
CNC(=O)CSP(=S)(OC)OC,0.01145025,0.00087238
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.011992800000000001,0.016429
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.014483,0.010428
N#Cc1c(Cl)cccc1Cl,0.014534,0.018603
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.015043,0.08142
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.01602,0.050302
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.016725999999999998,0.05708
OC(=O)C(CCP(=O)(O)C)N,0.019323,1.2638
CCN(C(=O)SCc1ccc(cc1)Cl)CC,0.019396,0.016681
OC(=O)COc1ccc(cc1C)Cl,0.019938,0.094707
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.022450499999999998,0.048354999999999995
CNC(=O)ON=C(C(=O)N(C)C)SC,0.022804,0.020728999999999997
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.025106,0.40234
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.026277000000000002,0.0072932
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.0266919,0.0068777
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.030365450000000002,0.0059382
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.033185,0.081968
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,0.033318,0.042647
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,0.033365,0.0368
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.0340055,0.2006765
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.038287,0.15528
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.038746,0.08469549999999999
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.041029,0.035449
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.041277,0.12427
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.044873,0.045407
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.045695,0.00913925
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.047558,0.23779
CN(C(=S)SSC(=S)N(C)C)C,0.04783,0.030362
CON(C(=O)Nc1ccc(cc1)Br)C,0.048244,0.014357
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.051654,0.17868
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.051835,0.27357
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.052791,0.16893
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.055604,0.23816864999999998
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,0.060731,0.060498
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.063605,0.060099
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,0.064239,1.606
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.064599,0.1015785
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.06691,0.1932515
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.069059,0.067731
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.069877,0.055901
CSc1nnc(c(=O)n1N)C(C)(C)C,0.069999,0.0639325
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,0.073066,0.062106
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.076026,0.54739
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.077689,0.051663
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.085107,0.082724
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.089696,0.41719
Nc1nc(NC2CC2)nc(n1)N,0.090262,0.93872
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.10391449999999999,0.092038
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.11059,0.14653
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.11396,0.011396
CCNc1nc(NC(C)C)nc(n1)Cl,0.11591,0.046364
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.1275,0.034849
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.1346,0.053503
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13618,0.13732
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.13932,0.036345
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.14037,0.0038991
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,0.15253,1.6953
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.156065,0.14983
Cc1cccc2c1n1cnnc1s2,0.16382,0.13739
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.1686,0.084301
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.1693,0.13747
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.1697715,0.06905
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.17814,0.3035
CN1CN(C)CSC1=S,0.18487,0.027422000000000002
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.18535,0.24799
CNC(=O)Oc1cccc2c1cccc2,0.1878535,0.29917
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.19052,0.20983
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.21767,0.22202
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.2197685,0.06424
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.220105,0.041269
CNC(=O)Oc1ccccc1OC(C)C,0.23896,0.2294
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.23936,0.39446
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.24849,0.9318500000000001
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.2548,0.01869895
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.31625,0.054928
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.36934,0.044321
COC(=O)Nc1nc2c([nH]1)cccc2,0.39229,1.3076
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.43564,0.43159
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.44322,0.45531
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.448645,0.47742
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.45341,0.065462
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.54949,0.074659
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.620525,0.260322
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.65554,0.31204
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.941945,0.56518
ClCCP(=O)(O)O,1.0381,0.90661
CC(OC(=O)Nc1cccc(c1)Cl)C,3.51025,0.14041
OC(=O)CNCP(=O)(O)O,5.9146,5.5597
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