Datasets:
Tasks:
Graph Machine Learning
Modalities:
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
ArXiv:
Upload Sitagliptin_MPO/medium.csv
Browse files- Sitagliptin_MPO/medium.csv +151 -0
Sitagliptin_MPO/medium.csv
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| 1 |
+
smiles,score
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| 2 |
+
CNC1=NNC(C(=O)NC2CN3C=C4C(F)=CC=CN4C(F)C3=C2F)=C1F,0.5991617310534328
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| 3 |
+
CN1C(=O)N(CF)C(=O)C2=C1NC1N2C=CC(F)N1C1=C(C(F)F)N=C(CF)C=C1,0.6607658908010896
|
| 4 |
+
CN(C=CF)C(=O)CN1NC=N[C@@](F)(C2=C(OC(F)C(F)F)C=CC=C2)C1=O,0.6959113367400601
|
| 5 |
+
O=C(CCC1=CC(F)C(F)C=C1)NNC(=O)C1C(F)NC2=C(F)C=CN21,0.6828260898754872
|
| 6 |
+
O=C(CC(F)(CF)[C@H](O)C1=CC(F)C=CN1)NC1=CN=C2C(F)C=CN12,0.6316435506895703
|
| 7 |
+
COC(F)(F)C1=NC(C(F)(F)OC)NC1CNC1=C(C#N)C=C(F)C1C,0.6631185675490032
|
| 8 |
+
O=C(CC1=CC=CC1F)NNC(=O)CC1=NC2=C(C=C(F)C2F)N1CCF,0.6354456877822333
|
| 9 |
+
Cn1cc(C(=O)NCCc2cnn(-c3ccccc3)n2)c(C(F)F)n1,0.5087509725805074
|
| 10 |
+
O[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Nc1ncccn1,0.5170031722338077
|
| 11 |
+
CC1=CC=C(C=NN(C)C(=O)C(=O)NC2C(F)=C(F)C(F)CC2F)C=N1,0.6436424579933611
|
| 12 |
+
Cn1ccnc1C(O)(CC/N=C(\N)c1ccccc1)C(F)(F)F,0.5241631801327283
|
| 13 |
+
FC(F)(F)COc1ncccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1,0.5416120482274321
|
| 14 |
+
O=C(C=CC1=[SH]C(F)CC(F)C1)NNC(=O)C1=C(F)C(F)N=C2C=CC=CN21,0.6415464026245286
|
| 15 |
+
N#CCCN(CCC(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21,0.5506165240903619
|
| 16 |
+
CC1C(C(F)F)=CC(C#N)(NC(=O)CN(C2=NC=CN2C(F)F)C2C#C2)C1F,0.7471787178700223
|
| 17 |
+
CC1C=CC(N(C)N(F)C(=O)C(=O)NC2=CC=C(C#N)C(F)C2F)=CC1F,0.7441290484168022
|
| 18 |
+
O=C(C1=CCC(NF)=CN1)N(F)CC1=NC(F)C(NF)=C1C1=CCC(NF)=C1,0.6730048480887717
|
| 19 |
+
CC1C=CC([C@@H]2C(NC(C)(F)C(F)F)=C([O-])C(=O)N2C2=NN=CC(F)=[SH]2)=C1Br,0.6038876525144494
|
| 20 |
+
O=C(NC1=CC(F)C(F)C(F)=C1F)C(=O)N[C@@H]1CC(F)C=C[C@H]1N1C=CC=N1,0.7306938764888681
|
| 21 |
+
O=C(NCCNN/N=C(\OF)C1=CC(F)C=CC1F)C1=CC(F)C(F)=CC1F,0.7456519336146398
|
| 22 |
+
CC1=Cc2c(C(=O)[C@@H](C)NNC(=O)C3=NC(F)N(F)C(F)=C3)cn(F)c2C1,0.6239869463901189
|
| 23 |
+
O=C1NC(=O)N(CCF)C2=C1N(F)C(N(F)CCC1C=CC(CF)=C1CF)=N2,0.7098982569276436
|
| 24 |
+
CC(c1ccncn1)C(O)(Cn1ccnn1)c1ccc(F)cc1F,0.5098195248508562
|
| 25 |
+
CC(C)[C@]1(F)N=CNN(/N=C2\CC(OF)(C(F)(F)F)C3NC=CC=C23)C1=O,0.6951078311956082
|
| 26 |
+
N#CC=CNC(=O)CNC1(C2=CC(F)C(F)C=N2)C=CC(F)C=C1F,0.6604903880344584
|
| 27 |
+
C=C(C(=O)NNC=CNC(=O)C1=CC=C(F)C1)C(F)C=CCOC(F)F,0.5872793641758263
|
| 28 |
+
O=C(Cn1nnn(-c2cccs2)c1=O)N(Cc1ccccc1)CC(F)(F)F,0.5141355559699118
|
| 29 |
+
O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cnn(CC(F)F)c1,0.5005314115449947
|
| 30 |
+
O=C(C=CC(F)(F)NCC1=CC(F)C(F)=CN1)NCNC1=CC=CC=N1,0.6335111834229257
|
| 31 |
+
O=C1CC(CNS(=O)(=O)C2=CC(F)C(F)C=C2F)=NN1C1=CC(CF)C=C1,0.5983308715650706
|
| 32 |
+
O=C(CCSCC1=CC(F)C(F)C=C1N(F)F)NNC(=O)C1=CC=C(F)[NH+]=C1,0.7306158663964353
|
| 33 |
+
CC1C([C@@H](F)C(=O)NNS(=O)(=O)C2=C(N(C)F)C(F)C(F)=C2)=CC=CC1F,0.6498894635462218
|
| 34 |
+
O=C(NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1)[C@H]1NCC[C@H]1F,0.5133135315359009
|
| 35 |
+
O=C(CC(=O)NNC1C=CC(C(F)(F)F)C=C1)NNC1=CC=CC1C(F)(F)F,0.6509949788150019
|
| 36 |
+
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C2NNNN2)cc1,0.5354107654386262
|
| 37 |
+
O=C1C([N+](=O)O)C(N(CF)[C@@H]2C=CC=C2CF)NC2=CC(CF)=CN12,0.5990200128333951
|
| 38 |
+
CC1=NC2=CC(F)NN2C(NS(=O)(=O)/C=C/C2=CC(F)CC(F)C2F)=C1,0.6947658224061573
|
| 39 |
+
C=C(F)CC1=CN(CC(=O)NNC2=CC(Cl)=C(CF)C2F)C(=O)C(CF)=N1,0.66522884636523
|
| 40 |
+
O=C(NN=CC1=CC(F)C(F)C=C1)c1cc(=O)n(C2=CC(F)C(F)C2)[nH]1,0.6677475515652027
|
| 41 |
+
C[S@](=O)[C@@H]1C(F)C(F)=C(F)[C@@H]1NC(=O)NCC1=NC2=C(C=CC(F)C2)N1F,0.6386842421367679
|
| 42 |
+
CC(=O)C1=C(C)N(CC2=[SH]C(F)C=C2F)C(C(=O)F)=C(NC=[N+](F)C#N)C1F,0.7227514914974135
|
| 43 |
+
O=C1NC(=O)N(CCF)C2=C1N(F)C(C1C=[SH]C3=C(C=CC(CF)=C3)N1CF)=N2,0.6377720261196053
|
| 44 |
+
O=C1NC(O)NC2C1C(C(F)F)NN2[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1,0.6181996383392607
|
| 45 |
+
O=C(NCCN(CC(F)(F)F)C(=O)c1cccnc1)c1cccnc1,0.562669602677533
|
| 46 |
+
CN(F)N1C(=O)[C@]2(OC(CF)=NC3=C2C=NN3)C2C1=CC=C[C@@H]2CN(F)CF,0.7091048871382855
|
| 47 |
+
CN(F)C1C=CC(N2C=CC3=C(N=NC4=C(OCF)C=NN34)C2=O)=C(CF)C1F,0.6274973309750391
|
| 48 |
+
O=[N+]([O-])C1=CC=CN=C1NC[C@@H](C1=C(F)C(F)C=CC1F)[NH+](F)CCF,0.6500981498648456
|
| 49 |
+
O=CN1[C@@H]2CC[C@H]1[C@@](Nc1cnc(C(F)(F)F)cn1)(C1(F)C=CC=NN1)C2,0.5230966433420609
|
| 50 |
+
O=C1N[C@@H](C2C=CC=CC2)[C@@H](N2C=CC=N2)[C@](O)(C(F)(F)C(F)(F)F)N1,0.7048893163105963
|
| 51 |
+
N/N=N/C(=[NH2+])C1=CCC2C(=C1)C=CN2Cc1ccc(C(F)(F)F)cc1,0.5067523314433185
|
| 52 |
+
O=C(NCCC1=CC(F)C(F)C=[SH]1)N1C(=O)NC2C(=C(F)C=CC2F)C1=O,0.6048637027077763
|
| 53 |
+
O=C(NCN1C=CC=C1NC(=O)C1=NCC=C1)C1=CC(F)C=C(F)C1F,0.6100710032202584
|
| 54 |
+
C[C@H](CNC1NC=CC(CF)=C1C#N)OC1=NOC(C(F)(F)F)C=C1,0.6545953490586035
|
| 55 |
+
CN(F)C1C=C(CNS(=O)(=O)C2=NC=CC2)C=C1C1=CCC(N(F)F)=N1,0.6440457194630562
|
| 56 |
+
O=C(CSC1CC(F)=CC1N(F)F)NNC(=O)C1=NC(F)C=C2C=CC=CN21,0.7171406258893401
|
| 57 |
+
O=C(NCC1=CC=NC=C1)N(F)CC1=NN(C2=CC(F)C(F)C=[SH]2)N=C1,0.6475848765273888
|
| 58 |
+
NC(=O)C1=C[C@H]2[C@H](C=C1)S/C(=N\C(=O)CCF)N2C1=CC(F)C(F)C1F,0.6441325324615776
|
| 59 |
+
O=C(CN[C@H](C(=O)F)C1=CC=CC(F)C1F)NON[C@H](F)C1=CC=C(F)C=C1,0.6439775591565272
|
| 60 |
+
O=C(NCC1=CC=C(F)C(F)C1F)C1=C(F)C=CC(CN2C=NN=N2)C1F,0.6168263647729799
|
| 61 |
+
O=C(N[C@H](C(=O)/N=C1/NCCS1)C(F)C(F)F)C1C=CC(OC(F)F)C=C1F,0.6430506628345911
|
| 62 |
+
O=C1NC(=O)N(CCCF)C2=C1N(CF)N(CF)C(C1C[C@@H](F)C=C1F)=N2,0.6469884393340326
|
| 63 |
+
C=CC(F)=C(F)C(F)=C[C@H]1[C@@H](NC(=O)C2C=C(F)C=C2[N+](=O)[O-])CC[NH+]1F,0.6424581662769161
|
| 64 |
+
CNC(=O)c1ccc(N[C@H](C)c2cccc(OC(F)F)c2)[nH+]n1,0.5058435053117603
|
| 65 |
+
O=C(NC1=C(F)N=C2CC(F)C=CN21)C(=O)N[C@@H]1C[C@H]1C(F)=CC(F)CF,0.6662069147073406
|
| 66 |
+
C[C@H](C(=O)NC1C=CC=C1C(F)F)[S@](=O)C1=NN=CN1C(F)C(F)C(F)F,0.6543815627771041
|
| 67 |
+
COc1cccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c1OC,0.5012902365069212
|
| 68 |
+
CN(CC(=O)NC1(C#N)C=CC=CC1F)C1=NC=CN(C(F)C(F)F)N1C(F)F,0.7290879031795341
|
| 69 |
+
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccccc1-n1cccc1,0.5000012758733131
|
| 70 |
+
CN(C=CC(=O)NC1(C#N)C=CC(F)=C1)CC1=NC=CN(C(F)F)N1C(F)F,0.7395480967403311
|
| 71 |
+
CSC1=C(F)C(NC2=NC(F)=CC(F)=N2)C(NC(=O)C2=[SH]C(C)N=C2)C1F,0.6257778006899612
|
| 72 |
+
COc1ccccc1-c1cc(NC(=O)C2CC(F)(F)CN2)ncn1,0.5178850573602678
|
| 73 |
+
FC=CC1=CC([C@@H]2CN(CC3=NC(C=CF)=NO3)C=C2CF)=NNN1,0.6011231116339224
|
| 74 |
+
COC=C(C=C(F)N(F)N(C)F)CNC(=O)C1NN(F)C(=O)C2=CC=C(F)C=C21,0.6836234010071573
|
| 75 |
+
O=C(CNC(=S)/N=C1/N=C1NCC1=CC=CCO1)N(C=CC(F)(F)F)CC(F)(F)F,0.6714283013851453
|
| 76 |
+
O=CC1=CN(F)C=C(C(=O)NC[C@@H](F)CF)C1=NNC1C(F)=CCC=C1F,0.6307768904328962
|
| 77 |
+
CC1=C(NC(=O)[C@]2(F)CC(F)N3C=NNSC3[S@]2=O)C=C(F)C(C)C1F,0.6037148848620191
|
| 78 |
+
O=C(NC1=CN(C(F)C(F)C(F)F)N=CC1)C1NN(F)C(=O)C2=C1C=CC=C2,0.7027057148833751
|
| 79 |
+
OCCc1nc(Cn2cncn2)nc(-c2ccc(F)cc2F)c1CF,0.5434566091014086
|
| 80 |
+
FC1C=CC([C@@H]2[NH+]=NC(C3=C(C4=CC=NC=C4)NC=C3)N=[SH]2)=C1ON(F)F,0.6660996450903734
|
| 81 |
+
O=C1C(C=COCC(F)C(F)F)N=[SH]C2=NC(C=CCOCC(F)F)=NN12,0.6750323276031933
|
| 82 |
+
O=C(C=C=C=NNC(=S)NC1=CC(C(F)F)=CC1F)NCCCOC(F)F,0.741760192078641
|
| 83 |
+
O=C(CC1=C(F)C(F)C(F)C=C1)NNC(=O)C1=CC(F)N=C2C=CC=CN12,0.6390593085598036
|
| 84 |
+
CC1=C(F)CC(F)C1C(=O)NNC(=O)C1=NC(F)=C2C(F)C(C)CN12,0.6134128195913824
|
| 85 |
+
O=C(NCCNC(=O)C1=CC(F)C(F)=CC1F)N[C@H]1C=CC(F)C=C1OF,0.6455392636044006
|
| 86 |
+
CO[C@](NC1=NN(C2=NC(F)=CC=C2)N=C1)(C1=C[N+](OF)=CC=C1)C(C)(F)F,0.719645802670832
|
| 87 |
+
O=C1C(Cl)=C(N(CC[O-])CC2=CC(F)C(F)C(F)=C2)C=NN1C1=C(F)NC=C1,0.6534450821245958
|
| 88 |
+
O=C(CNC(=O)N[C@@H](F)C1C=CC(F)C=C1F)NN[C@@H](F)C1=CC(F)C=C1F,0.6506340289748804
|
| 89 |
+
O=S(=O)(C1=CN2C=CNN=C2C=C1)N(CCF)C1C=CC(OCF)=C(F)C1F,0.6455480558508554
|
| 90 |
+
CN(CC1=CNN1C(F)C(F)F)N1N=C(C2C=CN(C(F)F)C=C2)OC1=O,0.6860802317263021
|
| 91 |
+
FC1=NCN=CC1C1=CC([C@@H](F)[NH2+]C=C[C@H](F)OC2=CC=CC2F)=NN1,0.7291936518811314
|
| 92 |
+
O=C1/C(=C2\[SH]=[SH]C3=NC(CF)=C(CF)NN3C2=O)C2=CC(CCCF)C(OCl)=C2N1F,0.6224041763193929
|
| 93 |
+
C=CC1=CNC(F)C(S(=O)(=O)/N=C2\NC3C(N(C)F)=C(N(F)F)CC3S2)=C1,0.7194735617303615
|
| 94 |
+
CN(F)N(F)C(=O)[C@@H](CNC(=O)NC1=CC(F)C(=O)C=C1)C1=C(F)C(F)C(F)C1F,0.6169227557689908
|
| 95 |
+
C[C@@]1(C2=CCCC=C2)NC(=O)N(CC(=O)N(F)C(F)N(F)N(F)C(F)F)C1=O,0.6461823473085196
|
| 96 |
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O=C(NNC1=C(F)CC(F)C1)C1=C(F)CC2(NNN2)[C@H]1C1=CCC(F)=C1F,0.680008533053101
|
| 97 |
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CN(CC(=NF)NC(F)F)CN1N=C(C2C=CC(C(F)F)=CC2F)OC1=O,0.7008921437535005
|
| 98 |
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CN(F)C1=CC=C(NN/C=C2/C(=O)NC(=O)C3=C2C=C(F)C3)C1C(F)(F)CF,0.6468115155438253
|
| 99 |
+
O=C1N[C@@](F)(c2cnn(CC(F)C(F)C(F)F)c2)C(=O)N1Cc1cccnc1,0.6804005649998386
|
| 100 |
+
O=C(CN1N=CC2=C1C=C(F)NN2F)NCCN=CC1=C(F)C(F)C=CC1F,0.6571194183734884
|
| 101 |
+
CN(F)N(F)[C@@H](NC(=O)C1=NN(OF)C(=O)C2=C1C=CC=C2)C1=CCC(F)C=C1,0.6201811043786087
|
| 102 |
+
CN1N=C(C(=O)N2C=C(NF)CC2)C=C1NC(=O)C1=C(F)C(F)C(F)C=C1,0.6031791813491298
|
| 103 |
+
CN(F)C(F)(F)C(=O)CN1N=CN=C1C=CNN=CC1=CC=CC(F)C1F,0.7051267242796276
|
| 104 |
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C=CC(F)=C(F)NC(=S)NC(=S)NN=CC(=O)NCC1=CC(F)CC=C1,0.7166246596299555
|
| 105 |
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C#CN(CF)C1=NOC(Cc2noc(CF)n2)=NN1C1C=C(CF)CC1CF,0.7026220269383074
|
| 106 |
+
CC(F)N1N=CC(C(=O)N(F)NC(=O)COC2=CC(F)C=C2)=C(C(F)F)N1C(F)F,0.6553215577795612
|
| 107 |
+
CC1=C(N2N=NN=C2CC(=O)NCC2C=C(F)C(F)C(F)C2F)C=CC1F,0.622261355669074
|
| 108 |
+
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccccc1-c1cncnc1,0.5146289544488787
|
| 109 |
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Cc1nn(CC(F)(F)F)c2c1[C@H](c1ccc(F)cc1)[C@H](N)C(O)N2,0.5721272879281369
|
| 110 |
+
CNC(=O)NC(=O)[C@H](F)NC1CC(F)C(F)=C1OC1=CC(F)C(F)C1C(F)F,0.631984420934536
|
| 111 |
+
O=C(NCC1C=CN(C(F)(F)Cl)C=C1)C(=O)NNCC1=CN(C(F)(F)F)C=C1,0.7112050167983955
|
| 112 |
+
Cc1nc2c(n(CC(=O)NC3=C(CF)C(F)C(F)=N3)c1=O)C=CC(F)C2CF,0.6398807806188413
|
| 113 |
+
O=C(NC1=C2C=C(N(F)F)[SH]=CC2=CC=C1)C(=O)N[C@@H]1C=[SH]C(F)N2NC(F)=C(F)C12,0.7091626399105521
|
| 114 |
+
CC1=NN(CN(CC#N)CCC#CC#N)N1C1=CC(F)C(F)=CC1F,0.6122857822405297
|
| 115 |
+
O=C(NC[C@@H]1C=C(F)C(F)CO1)C1=C(C2N=CC=CC2F)N(C=CF)N=N1,0.6315822875217469
|
| 116 |
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O=C1N(CC2=CC(F)C(F)=C2)N=C(CF)N[C@@]1(Cl)NC1=CC(OF)=CNC1CF,0.7062123418353674
|
| 117 |
+
COC1=CC=CC(NC2NC(c3cnc(=O)[nH]c3)=CS2)C=C1C(F)(F)F,0.5342275156266227
|
| 118 |
+
O=C(NC1=CCC(NC(=O)N2C=CC=NN2F)=C1)[C@H]1C[C@H]1C(F)(F)CF,0.6067714117007064
|
| 119 |
+
COc1cc([C@H]2C=C(c3ccc(F)cc3)[NH+]=C3N=NNN32)ccc1OC(F)F,0.5242746893772188
|
| 120 |
+
O=C1NC2=C(F)C(Br)C=C2C1=NNNCCNC1=C(F)C(F)C(F)=C(CF)C1F,0.7479938416472185
|
| 121 |
+
O=C(CC1=CC=C(NF)C=C1)/N=C1\N=[NH+]N(C2=C(OF)CC(F)C=C2)C(F)=[SH]1,0.618378971436131
|
| 122 |
+
O=C(CNNC(=S)NC1=CC(F)C(F)C=C1)NC1=CC=C(CC(F)(F)F)N1,0.6285080716971502
|
| 123 |
+
COc1ncc(-c2cc(N3CC(F)(F)C(F)(F)C3)c3nccn3n2)c(OC)n1,0.5265317644074127
|
| 124 |
+
O=C1NC(=O)N(CCF)C2=C1N(CCF)N(CF)C(CC1=C(F)C(F)C=C1)=N2,0.664880365739492
|
| 125 |
+
CC=C[C@H](NC(=O)C1=CC(F)C(Cl)=CC1F)C(=O)NCC1=CC=NN1F,0.655375042927004
|
| 126 |
+
NNC(=O)C1=C(C(C2=CC=CC2F)C2=C(F)C(F)C=CC2F)NN=CC1,0.6109821430483477
|
| 127 |
+
FC(F)(F)COc1ccc(CNc2cc(-n3cc[nH+]c3)ncn2)cn1,0.5356655895643894
|
| 128 |
+
O=C(C=CNNNC(=O)C1C=CC=C(F)C1)C1=CC(OC(F)F)C=CC1F,0.5904263221712567
|
| 129 |
+
O=C(N[C@H]1C=CN(C(F)F)N(C2=CN(C(F)CF)C=C2)C1=O)C1=CN(CF)N=C1,0.6870340866517048
|
| 130 |
+
O=C(NC=CNNC(=O)C1=C(OC(F)F)C=CC1F)C1=C(F)C(F)CC1,0.5700774992186038
|
| 131 |
+
O=C(NC1=CCC(F)N=C1)N[C@H]1C=C(F)N(C2=CC(CF)C=CN2F)C1=O,0.6761715957085485
|
| 132 |
+
O=C(Nc1cnn(CC(F)F)c1)N[C@@H]1CC(=O)N(c2ccccc2)C1,0.5006362392207276
|
| 133 |
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CC1=CCC(CC(=O)NNC(=O)C2=NC=CN(C(F)F)N2C(F)C(F)F)=C1,0.7023866151990099
|
| 134 |
+
FC(F)COc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1,0.5484784014319561
|
| 135 |
+
O=S(=O)(C1=CN(F)CC(CNCC2C=CN=C2F)=C1)C1=CC(F)N=CC1F,0.6332747044645511
|
| 136 |
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CC1=C(S(=O)(=O)NN2CNC3=C(CF)C(F)C(C)=C3C2=O)C(F)C(F)C=C1F,0.6324113317966908
|
| 137 |
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O=C(NCC1=CC(F)NC=C1)N(F)CC1=NN(C2=CC(F)C(F)C=C2)N1,0.7117877465610788
|
| 138 |
+
Cc1cc(C2CN(C)C(=O)C2C(=O)Nc2ccc(F)nc2F)nn1C(F)F,0.5343742454850025
|
| 139 |
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O=C(/N=C1\N=[NH+][C@@H](C2C=NC=C2CC(F)C(F)F)S1)C1=CC=CC(OF)C1,0.624102799700087
|
| 140 |
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CN(CC(F)(F)F)C(=O)CN/C(N)=N/Cc1ccc(OC(F)(F)F)cc1,0.5983938092280975
|
| 141 |
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O=C(CNC(=O)NN(CF)C1C=CC=C1C(F)(F)F)NC=CC(F)(F)CF,0.6044326400320901
|
| 142 |
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NC1=C(F)C(F)C(F)N=C1N(CC1=CC=CC=N1)ON1C=C(F)N=CC1,0.6093780397694486
|
| 143 |
+
O=C(NCNC(=O)N[C@H]1C=CC(F)C(F)=C1)NC1=CC(F)C(F)C(F)=C1,0.638711453129442
|
| 144 |
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CC(N/C([O-])=C(\C#N)C(=O)C1C=CN(C)C(C=CC(F)(F)F)=C1)C(F)F,0.6708947682610644
|
| 145 |
+
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)NC1N=C(F)C(F)C(F)C1F,0.6325695328188453
|
| 146 |
+
CN(C1=CC(OCC(F)F)=NC=N1)N(C)C1=NC=CN=C1OCC(F)F,0.6560490245010452
|
| 147 |
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Cn1cc(C/N=C(\N)NCc2ccc(OC(F)(F)F)cc2)cn1,0.5090601714979076
|
| 148 |
+
O=C(C=CNNNC(=O)c1cccc(F)c1)C1=CC(OC(F)F)C=CC1F,0.6224559894875793
|
| 149 |
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N#CSC1=CC(Cl)C(C(=O)C(=O)CN(CCF)[NH+](F)CC2C=CC(Cl)=C2F)C=N1,0.6421008721690574
|
| 150 |
+
CN(F)C1C(F)=CC(/C(F)=C\C(=O)N[C@H](C(N)=O)C(C)(F)N(C)F)=C(F)C1F,0.605268106679167
|
| 151 |
+
OCC(CC1C=CC(F)=CC1F)NC1=NN=NN1C1=CC(F)C(F)C1F,0.7204743757254851
|