Datasets:
Tasks:
Graph Machine Learning
Modalities:
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
ArXiv:
Upload Amlodipine_MPO/positive.csv
Browse files- Amlodipine_MPO/positive.csv +151 -0
Amlodipine_MPO/positive.csv
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| 1 |
+
smiles,score
|
| 2 |
+
CCCOCC1=C[C@H](C2=C(C)NCC2)C(C(=O)OC)=C(C(=O)OCC)[C@H]1C1=CC=CC=C1Cl,0.7709342531250699
|
| 3 |
+
CCOC(=O)C1=C(COCCNC(=O)c2ccc(=O)[nH]c2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.816496580927726
|
| 4 |
+
CCOC(=O)C1=C(COCCN2CCN(C(=O)NC)CC2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7542980294561158
|
| 5 |
+
CCOC(=O)C1=C(COCCCl)C=C(C2=CC(C)C(C(=O)OC)=C2C)[C@H]1C1=C(Cl)C=CC=C1,0.7550453350256031
|
| 6 |
+
CCOC(=O)C1=C(C2=C(COOC)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1COCCN,0.7510676161988108
|
| 7 |
+
CCOCC1=C(C(=O)OC)[C@H](C2=C(Cl)C=CC=C2)C(C(=O)OCCN2C=C(Cl)N2)=C(C)N1,0.8477912478906585
|
| 8 |
+
CCOC(=O)C1=C(C(OC)c2ncc(C)[nH]2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7559289460184544
|
| 9 |
+
CCOC(=O)C1=C(COCc2cc(=O)n(C)c(N)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7687061147858074
|
| 10 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(C)=O)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1OCCl,0.7525766947068779
|
| 11 |
+
CCCOCC1=C(C(=O)OC)[C@H](C2=C(C(=O)OCC)C=CC=C2)N2C(Cl)=CC=C2N1,0.7504044217063922
|
| 12 |
+
CCCOCC1=C(C(=O)OC)C2C(C(=O)OCC)=C(C)[C@H](C3=C(Cl)C=CC=C3)C2=C(C)N1,0.8477912478906585
|
| 13 |
+
CCOC(=O)C1=C(COCCOCCN)NC(C)=C(C(=O)OC)C1c1cccc2c1OCO2,0.8065267738229177
|
| 14 |
+
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl,0.7878385971583354
|
| 15 |
+
CCOC(=O)C1=C(Cl)CC(Cl)C1N[C@H]1C(C(=O)OC)=C(COCCN)c2ccccc21,0.7531983087525438
|
| 16 |
+
CCOC(=O)C1=C(COCCNc2nccc(=O)[nH]2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7804427647758092
|
| 17 |
+
CCOC(=O)C1=C(COCCNC(=O)c2cccnc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8241633836921342
|
| 18 |
+
CCOC(=O)C1=NNC(COCCN)=C(C2=C(C(=O)OCC)[C@@H](CC)C(C)=N2)[C@@H]1c1ccccc1Cl,0.7525766947068779
|
| 19 |
+
CCOC(=O)C1=C(COCc2cc(=O)n(C)c(C)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7593263966019992
|
| 20 |
+
CCOC(=O)C1=C(Cn2ccnc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8143450710459553
|
| 21 |
+
CCOC(=O)C1=C(COCCNc2nccnc2NC)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7700132167581937
|
| 22 |
+
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7878385971583354
|
| 23 |
+
CCOC(=O)C1=C(COCCOCCN(C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl,0.7912565680749444
|
| 24 |
+
CCOC(=O)C1=C(COCc2ncc[nH]2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8522416262267903
|
| 25 |
+
CCOC(=O)C1=C(C)NC(C2=C(COCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)[C@@H]1Cl,0.7647912528117451
|
| 26 |
+
CCOC(=O)C1=C(COCCOCCNCc2ccccc2F)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7669649888473704
|
| 27 |
+
CCOC(=O)C1=C(COCc2nnnn2CCNC(=O)C(F)(F)F)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7734924681537618
|
| 28 |
+
CCOC(=O)C1=C(COCCCN2CCN(C)CC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8360796171499412
|
| 29 |
+
CCCOCC1=CC(C2=C(C(=O)OCC)C(C3=C(Cl)C=CC=C3)C(C(=O)OC)=C2C)=CC1,0.7721099961494127
|
| 30 |
+
CCCOCC1=C(C2=C(C(=O)OCC)[C@@H](COCCN)N=C(C)N2)[C@H](c2ccccc2Cl)C(C(=O)OC)=NN1,0.7591252771714811
|
| 31 |
+
CCOC(=O)C1=C(COCc2nc(C(N)=O)cs2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8325078419634815
|
| 32 |
+
CCCOCC1=C(C(=O)OC)C(C2=C(C(=O)OCC)C(C)C(Cl)=NC2C)C2=C(C=CC=C2)N1,0.764791252811745
|
| 33 |
+
CCCOCC1=C2C(C(=O)OCC)=C(C(=O)OC)[C@@H](C3=C(Cl)C=CC=C3)N2NN1,0.7719841941125453
|
| 34 |
+
CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC2)C1c1ccccc1Cl,0.8032193289024988
|
| 35 |
+
CCO[C@H]1N=C(C)NC(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)=C1C(=O)OC,0.7618117502750551
|
| 36 |
+
CCOC(=O)C1=C(CC2=C(Cl)C=CC=C2)NN=C2CC(C(=O)OC)=C(COCCN)C21,0.7695667675444008
|
| 37 |
+
CCOC(=O)C1=C(COCCN2CCNCC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8571428571428572
|
| 38 |
+
CCOC(=O)C1=C(CCCc2ccccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7982824700322463
|
| 39 |
+
CCOC(=O)C1=C(COCC(C)(O)Cn2ccnc2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7652356405615107
|
| 40 |
+
CCOC(=O)C1=C(COCCn2nncc2C(N)=O)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7934920476158722
|
| 41 |
+
CCOC(=O)C1=C(C2C=C(C)C3=CC=CC=C32)NC(COCCN)=C(C(=O)OC)C1C,0.8040302522073697
|
| 42 |
+
CCOC(=O)C1=C(C)C(COCCC2=CCC=C(N)N2)=C(C(=O)OC)C1C1=CC=CC=C1Cl,0.7905694150420948
|
| 43 |
+
CCOC(=O)C1=C(COCc2nnn(CCNC(=O)C(F)(F)F)n2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7734924681537618
|
| 44 |
+
CCOC(=O)C1=C(COCc2cc(Cl)nc(SC)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7559289460184544
|
| 45 |
+
CCOC(=O)C1=C(COCCNC(=O)n2ccnc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8360796171499412
|
| 46 |
+
CCOC(=O)C1=C(COCCNc2ccnc(=O)[nH]2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7804427647758092
|
| 47 |
+
CCOC(=O)C1=C(COCCn2nncc2C(=O)OCC)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.816496580927726
|
| 48 |
+
CCOC(=O)C1=C(COCCNc2nccnc2Cl)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7804427647758092
|
| 49 |
+
CCOC(=O)C1=C(COCCN)NC(C)=C(C2=C(C(=O)OC)C(N)C3=C2C=CC=C3)C1C(=O)OCC,0.7745966692414834
|
| 50 |
+
CCOC(=O)C1=C(COCCNC(=O)c2cnccn2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8241633836921342
|
| 51 |
+
CCOC(=O)C1=C(COCc2cc(=O)[nH]c(N)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.775791113542719
|
| 52 |
+
CCOC(=O)C1=NC2C(=NC(C)=C2C(=O)OC)C1C1=C(COCCN)C=CC=C1,0.7615773105863908
|
| 53 |
+
CCOC(=O)C1=C(COCCNCc2ccccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8320502943378436
|
| 54 |
+
CCCOCC1=C(C(=O)C2=C(Cl)C=CC=C2)C2C(=NC(C(=O)OC)=C2C(=O)OCC)N1,0.7632327769721765
|
| 55 |
+
CCOC(=O)C1=C(COC2CCNCC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8206518066482898
|
| 56 |
+
CCOC(=O)C1=C(COCCN2CC(=O)N=C2N)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7950317425726555
|
| 57 |
+
CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C(C)C)C2)C1c1ccccc1Cl,0.7834930670648043
|
| 58 |
+
CCOC(=O)C1=C(C(=N)OCCOCc2ccccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7769193031477617
|
| 59 |
+
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)=C2COCCN)[C@@H]1C1=CC=CC=C1Cl,0.8477912478906585
|
| 60 |
+
CCOC(=O)C1=C(COCc2nc(N)n[nH]2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8539125638299665
|
| 61 |
+
COC(=O)C1=C(COCCN)NC(C)=C(C2OC(C)O2)C1c1ccccc1Cl,0.8098851637699159
|
| 62 |
+
CCOC(=O)C1=C(Cl)C2=C(C=CC=C2)C1C1C(C)=CC(COCCN)=C1C(=O)OC,0.7849596270902193
|
| 63 |
+
CCOC(=O)C1=C(COCCN2C(=O)CNC2=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8528028654224418
|
| 64 |
+
CCCOCC1=C(Cl)CC(C2=C(C(=O)OC)[C@@H](C3=CC=CC=C3Cl)C(C(=O)OCC)=C2C)N1,0.794397860750549
|
| 65 |
+
CCOC(=O)C1=C2NC(C)=C(COCCN)C2=C(C(=O)OC)C1C1=CC=CC=C1Cl,0.8597269536210951
|
| 66 |
+
CCOC(=O)C1=C(C)[C@@H](C2=C(Cl)C=CC=C2)C2=NNC(COCCN)=C(C(=O)OC)C21,0.8675760324277122
|
| 67 |
+
CCOC(=O)C1=C(N2C(=O)C(COCCN)=C(C(=O)OC)[C@@H]2C2=C(Cl)C=CC=C2)C1=O,0.7669649888473704
|
| 68 |
+
CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,0.8443170536763502
|
| 69 |
+
CCOC(=O)C1=NC2=C(C=CC=C2)C1C1=C(C(=O)OC)SC(C)=C(COCCN)N1,0.770752493308062
|
| 70 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OCl)[C@H]2c2ccccc2Cl)N=C(C)[C@@H]1CC,0.7627700713964739
|
| 71 |
+
CCOC(=O)C1=C(COCC(C)(O)c2ncc[nH]2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7662610281769212
|
| 72 |
+
CCOC(=O)C1=C(COCCn2cnnc2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.8104706935466817
|
| 73 |
+
CCOC(=O)C1=C(C(OC)c2nnn(CCN)n2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7830756969602691
|
| 74 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)ON)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1Cl,0.7627700713964739
|
| 75 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)N=CC[C@@H]1OCC,0.7676494735787385
|
| 76 |
+
CCOC(=O)C1=C(COCCN)NC2=C(C(C)=CC2)[C@@H]1C1=CC=CC=C1C(=O)OC,0.8122769321068952
|
| 77 |
+
CCOC(=O)C1=C(COC2CCN(C)CC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.812403840463596
|
| 78 |
+
CCCOCC1=C(C(=O)OC)[C@H](C2=CC=CC=C2Cl)C2=CC(C)C(C(=O)OCC)=C2N1,0.8248711239545367
|
| 79 |
+
CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CCC2)C1c1ccccc1Cl,0.7905694150420948
|
| 80 |
+
CCOC(=O)C1=C(COCc2nnn(C)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7745966692414834
|
| 81 |
+
CCOC(=O)C1=C(COCCN2CC(=O)N=C2N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8630747123996123
|
| 82 |
+
CCOC(=O)C1=C(C(OCCN)c2ccccc2Cl)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7913079200280163
|
| 83 |
+
CCOC(=O)C1=C(COCCNc2nccs2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8571428571428572
|
| 84 |
+
CCCOCC1=C(C2=C(C(=O)OCC)[C@@H](Cl)N=C2C)[C@H](c2ccccc2Cl)C(C(=O)OC)=NN1,0.7541931711766829
|
| 85 |
+
CCOC(=O)C1=C(COCCn2cnc(C(=O)OCC)c2N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8183671368293095
|
| 86 |
+
CCOC(=O)C1=C(C)NC(C[N+]2(C)CCNCC2)=C(C(=O)OCC)C1c1ccccc1Cl,0.7523547938632787
|
| 87 |
+
CCOC(=O)C1=C(C)NC(CC2CCCCC2)=C(C(=O)OCC)C1c1ccccc1Cl,0.7595545253127499
|
| 88 |
+
CCOC(=O)C1=C(COCCNC2=NCCN2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8571428571428572
|
| 89 |
+
CCOC(=O)C1=C(COCCN2CCN(CCN(CC)CC)CC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7844645405527362
|
| 90 |
+
CCOC(=O)c1cc2c(s1)NC(C)=C(C(=O)OC)[C@H]2c1ccccc1Cl,0.7759835936631706
|
| 91 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)N=C(C)N[C@@H]1Cl,0.7913079200280162
|
| 92 |
+
CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7781417526106431
|
| 93 |
+
CCOC(=O)C1=C(COCc2cc(=O)n(CCO)c(N)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7575704874652001
|
| 94 |
+
CCOC(=O)C1=C(COCCN)CN[C@@H]1N1C(C)=C(C(=O)OC)C(C)C2=C1C=CC=C2,0.7632327769721765
|
| 95 |
+
CCOC(=O)C1=C(COCCNCCN(C)Cc2nc(C)c(C)nc2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7713892158398701
|
| 96 |
+
CCOC(=O)C1=C(COCCn2c(N)c[nH]c2=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8630747123996123
|
| 97 |
+
CCOC(=O)C1=C(COCCOCCNCc2ccccc2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7734924681537618
|
| 98 |
+
CCCOCC1=C(C2=C(C(=O)OCC)[C@@H](C)N=C(C)N2)[C@H](c2ccccc2Cl)C(C(=O)OC)=NN1,0.753370803500884
|
| 99 |
+
CCOC(=O)C1=C(COCCNc2n[nH]c(N)n2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8587046857760456
|
| 100 |
+
CCOCCN1C2=C(C(=O)OC)C(C3=C(Cl)C=CC=C3)C(C(=O)OCC)=C2N1O,0.7759128922285868
|
| 101 |
+
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC(C)C)C1c1cccc2onnc12,0.7820808688600516
|
| 102 |
+
CCCCOCC1=C(C2NC(C)=C(C(=O)OCC)[C@H]2CN)[C@H](c2ccccc2Cl)C(C(=O)OC)=NN1,0.7618117502750551
|
| 103 |
+
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1cccc(-n2ccnc2)c1,0.7982824700322463
|
| 104 |
+
CCOC(=O)C1=C(COCc2nnnn2C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7745966692414834
|
| 105 |
+
CCOC(=O)C1=C(COCCNS(=O)(=O)c2ccc(Cl)nc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8090398349558905
|
| 106 |
+
CCOC(=O)C1=C(C2=C(COCCCl)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1Cl,0.753370803500884
|
| 107 |
+
CCCOCC1=C(C)N2C(S1)C(C(=O)OC)=C(C(=O)OCC)[C@H]2C1=C(Cl)C=CC=C1,0.7643025682552586
|
| 108 |
+
C=C1CC(C)(C)CC2=C1C(c1ccccc1Cl)C(C(=O)OCC)=C(COCCN)N2,0.7849596270902193
|
| 109 |
+
CCOC(=O)C1=C(COCCn2c(C)ccc2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8528028654224418
|
| 110 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)N=C(C)[C@@H]1C,0.8026398751811233
|
| 111 |
+
CCOC(=O)C1=C(COCCNC2=NS(=O)N=C2N)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7840146038707243
|
| 112 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1OCC,0.7791937224739796
|
| 113 |
+
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7982281262852872
|
| 114 |
+
COC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1Cl,0.7759128922285868
|
| 115 |
+
CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl,0.7953949089757174
|
| 116 |
+
CCOC(=O)C1=C(COCc2nnc(N)s2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7844645405527362
|
| 117 |
+
CCCOCC1=C(C(=O)OCC)C(C2=CC=NC3=C2C=CC=C3)C(C(=O)OC)=C(C)N1,0.8102873913406629
|
| 118 |
+
CCOC(=O)C1=CC=CC=C1C1C(C(=O)OC)=C(COCCN)C2=C1C(Cl)=C(C)C2,0.7745966692414834
|
| 119 |
+
CCOC(=O)C1=C(COCCN2CCN(C)CC2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.848528137423857
|
| 120 |
+
CCOC(=O)C1=C(COCCn2cccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.870571500132014
|
| 121 |
+
C=C1/C=C(C)\C=C/CCC(=O)N(CCOCC2=C(C(=O)OCC)C(c3ccccc3Cl)C(C(=O)OC)=C(C)N2)C1=O,0.7811334658849433
|
| 122 |
+
CCCOCC1=C(C2=C(C(=O)OC)C(C3=C(Cl)C=CC=C3)C(C(=O)OCC)=C2C)C=CC1,0.7721099961494127
|
| 123 |
+
CCOC(=O)C1=C(COCCn2ccnc2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8615497903412858
|
| 124 |
+
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)N2CCN(C)CC2)C1c1ccccc1Cl,0.8408749651825217
|
| 125 |
+
CCOC(=O)C1=C(C(OC)c2nccn2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7559289460184544
|
| 126 |
+
CCOC(=O)C1=C(COC/C=N/OCc2ccccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8013749652081635
|
| 127 |
+
CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8443170536763502
|
| 128 |
+
CCOC(=O)C1=C(COCCNCc2no[n+]([O-])c2C#N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.816496580927726
|
| 129 |
+
CCOC(=O)C1=C(COCCOCCNCc2ccccc2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl,0.7734924681537618
|
| 130 |
+
CCOC(=O)CCOCC1=C([C@H]2C=C(Cl)C3=C2C=CC=C3)C(C)C(C(=O)OC)=C(C)N1,0.7531983087525438
|
| 131 |
+
CCOC(=O)C1=C(Cn2cccc2)NC(CF)=C(C(=O)OC)C1c1ccccc1Cl,0.7504044217063922
|
| 132 |
+
CCOC(=O)C1=CC=CC=C1[C@H]1C2=C(C=C(C)C2=O)NC(COCCN)=C1C(=O)OC,0.8040302522073697
|
| 133 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1CC,0.7898437889919591
|
| 134 |
+
CCOC(=O)C1=C(COCCNc2cnccn2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.787635937708768
|
| 135 |
+
CCOC(=O)C1=C(C[n+]2ccccc2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8017837257372732
|
| 136 |
+
CCOC(=O)C1=C(COCCn2c(C)nc(C)c2C)NC(C)=C(C(=O)NC(C)(C)C)C1c1ccccc1Cl,0.7518094115561123
|
| 137 |
+
CCOC(=O)C1=C(COCCNCC(O)COc2ccccc2C#N)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.7745966692414834
|
| 138 |
+
CCOC(=O)C1=C(C)NC(COCCN)=C(C(=O)N2C3=C(C=CC=C3)C2C)C1C,0.7971302695712079
|
| 139 |
+
CCCOCC1=C(C(=O)OCC)[C@H](C2=C(Cl)C=CC=C2)N2NC(C(=O)OC)=C2N1,0.7930107057167912
|
| 140 |
+
CCOC(=O)C1=C(COCc2ccc(CN(C)C)s2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8204126541423671
|
| 141 |
+
CCOC(=O)C1=C(C2=C(COCCCl)NN=C(C(=O)OC)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1C,0.753370803500884
|
| 142 |
+
CCOC(=O)C1=C(C(=O)OC)C(C2=CC=CC=C2COCCN)C=CC1C1=CC=CC=C1Cl,0.7576767609436587
|
| 143 |
+
CCOC(=O)C1=C(C(=O)OC)[C@@H](C2=C(Cl)C=CC=C2)C(=O)N[C@@H]1C1=C(COCCN)C=C(C)C1,0.8026398751811233
|
| 144 |
+
CCCOCC1=C(C)NC(C2CC(C3=CC=CC=C3Cl)C(C(=O)OCC)=C2C(=O)OC)N1,0.7820808688600516
|
| 145 |
+
COC(=O)C1=C(C)NC(COCCN)=C(C(=O)Oc2ccccc2)C1c1ccccc1Cl,0.8390957231764807
|
| 146 |
+
CCOC(=O)C1=C(COCc2sc(N(C)C)cc2C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,0.8145314840210527
|
| 147 |
+
CCOC(=O)C1=C(Cn2cnnc2)NC(CF)=C(C(=O)OC)C1c1ccccc1Cl,0.7504044217063922
|
| 148 |
+
CCOC(=O)C1=C(C2=C(COCCN)NN=C(C(C)=O)[C@H]2c2ccccc2Cl)NC(C)=N[C@@H]1OCC,0.7525766947068779
|
| 149 |
+
CCOC(=O)C1=C(COCCNS(=O)(=O)c2ccc(Cl)nc2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0.7567361314550618
|
| 150 |
+
CCOC(=O)C1=C(COCCN[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,0.8017837257372732
|
| 151 |
+
CCOC(=O)C1=C(C)C2=C(C)NNC(COCCN)=C2SC1C1=C(C(=O)OC)C=CC=C1,0.7622023228463561
|