Covalent Ligands
Collection
Collection of experimental data from various covalent inhibitor studies.
•
1 item
•
Updated
Compounds
stringlengths 11
11
| SMILES
stringlengths 16
46
⌀ | Avg_k_M^-1*S^-1
float64 -0
0
⌀ | HB-2_Cells_Viability%
float64 0.4
114
| CCD841_Cells_Viability%
float64 1
144
| HEK293_Cells_Viability%
float64 0.5
268
| Avg_%NNMT_activity
float64 -21.58
196
| NV3CP
float64 -1
0.85
⌀ | BSA
float64 -1
0.3
⌀ | K-Ras_G12C
float64 -1
0.81
⌀ | NNMT
float64 -1
1
⌀ | NUDT7
float64 -1
1
⌀ | OTUB2
float64 -1
1
⌀ | PBP_R504C
float64 -1
1
⌀ | PCAF
float64 0
0.45
⌀ | QSOX1
float64 0
0.31
⌀ | USP8
float64 -1
1
⌀ | NV3CP_DL
float64 0
1
| BSA_DL
float64 0
1
| K-Ras_G12C_DL
float64 0
1
| NNMT_DL
float64 0
1
| NUDT7_DL
float64 0
1
| OTUB2_DL
float64 0
1
| PBP_R504C_DL
float64 0
0
| PCAF_DL
float64 0
0
| QSOX1_DL
float64 0
0
| USP8_DL
float64 0
1
| Original_NUDT7
float64 0
1
⌀ | Repeat_5_per_well_NUDT7
float64 0
1
⌀ | Repeat_1_per_well_NUDT7
float64 0
1
⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PCM-0102938
|
COc1ccc(C2CCCN2C(=O)CCl)cc1
| 0
| 12
| 24.3
| 6.4
| 27.75074
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0.18
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0.86
| 1
|
PCM-0102964
|
C=CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1
| -0
| 101.9
| 102.6
| 87.2
| 31.36487
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102731
|
C=CC(=O)NC1CCN(c2ccccc2C(F)(F)F)C1
| 0
| 100.2
| 103.5
| 69.7
| 35.28246
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102135
|
O=C(CCl)Nc1ccccc1N1CCCC1
| 0
| 98.5
| 95
| 91.3
| 36.48339
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102169
|
Cl.O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1
| 0
| 8.8
| 33
| 8.6
| 36.85706
| 0
| 0
| 0.43
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102892
|
N#Cc1ccc(C(=O)NNC(=O)CCl)cc1
| 0
| 86.2
| 85.9
| 102.8
| 46.15551
| 0
| 0
| 0
| 0
| 0
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102389
|
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1
| 0
| 35.7
| 63
| 16
| 46.7093
| 0
| 0
| 0.12
| 0
| 0.1
| 0.14
| 0
| 0
| 0
| 0.13
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102386
|
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1
| 0
| 42.2
| 75.9
| 39.1
| 47.37053
| 0
| 0
| 0.15
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102571
|
C=CC(=O)N1CCCC1C1COCCC1(C)O
| 0
| 106.8
| 107
| 104.1
| 48.504733
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102730
|
C=CC(=O)N1CCCn2c(cc3ccccc32)C1
| 0
| 103.8
| 92.2
| 85
| 48.59818
| 0.14
| 0
| 0
| 0
| 0
| 0.18
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102718
|
C=CC(=O)N1Cc2ccc(S(=O)(=O)N(C)C)cc2C1
| 0
| 97.4
| 99.7
| 73.6
| 49.62607
| 0
| 0.3
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102604
|
C=CC(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1
| 0
| 74.6
| 121.5
| 91.5
| 51.16035
| 0
| 0
| 0.31
| 0
| 0
| 0
| 0
| 0
| 0
| 0.26
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102813
|
C#Cc1cccc(NC(=O)NC(=O)CCl)c1
| 0
| 74.1
| 82.2
| 73.2
| 52.09004
| 0
| 0
| 0
| 0
| 0.13
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102767
|
C=CC(=O)N1CCCc2c([nH]c3c(F)cccc23)C1
| 0
| 89.2
| 96.6
| 96
| 52.97174
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.15
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102675
|
C=CC(=O)N1CCCCC1c1cnn(C)c1
| 0
| 95.7
| 103.1
| 88.5
| 57.30527
| 0
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102925
|
C=CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
| 0
| 107.3
| 101.5
| 86.8
| 58.44304
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102752
|
C=CC(=O)N(C)CC1CCn2ccnc2C1
| 0
| 97.7
| 121.8
| 88.4
| 61.7797
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102530
|
C=CC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1
| 0
| 107.7
| 100.9
| 94
| 62.28799
| 0
| -1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102489
|
C=CC(=O)N1CCCC1c1cccc2c1OCCO2
| 0
| 96.3
| 99.1
| 89.9
| 63.4154
| 0
| -1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102883
|
C=CC(=O)NC(=O)Nc1ccccc1
| 0
| 5.4
| 17.8
| 4
| 63.48585
| 0.52
| 0
| 0.18
| 0
| 0
| 0
| 0.47
| 0
| 0.28
| 0.44
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102950
|
Cl.O=C(CCl)NCc1ccccn1
| 0
| 100.4
| 109.3
| 97.4
| 68.99338
| -1
| 0
| 0.25
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102673
|
C=CC(=O)N1CCC2C(CCCN2Cc2ccccc2)C1
| 0
| 101.6
| 115.8
| 85
| 70.012263
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103003
|
C=CC(=O)N1CCCN(C(=O)c2cc(Cl)cn2C)CC1
| 0
| 105.4
| 100.9
| 96.7
| 70.39504
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
|
PCM-0102269
|
Cl.O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1
| 0
| 6.3
| 24.2
| 7.9
| 70.65869
| 0.24
| 0
| 0.28
| 0
| 0
| 0.19
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102909
|
C=CC(=O)N1CCCC(Cc2nnc3ccccn23)C1
| -0
| 101
| 87.9
| 108.4
| 70.82697
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102640
|
C=CC(=O)N1CCc2sccc2C1c1cccs1
| 0
| 97.9
| 115.1
| 98.7
| 71.65337
| 0.18
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102681
|
C=CC(=O)N1CCCC1C(=O)Nc1nc2ccccc2s1
| 0
| 95.7
| 114.7
| 79.7
| 73.76612
| 0
| 0
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0.18
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102336
|
O=C(CCl)Nc1ccnn1C1CCCC1
| 0
| 41.3
| 60.4
| 7.7
| 75.05658
| 0.14
| 0
| 0
| 0
| 0
| 0.19
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102490
|
C=CC(=O)N1CCNC(=O)C1c1c(F)cccc1Cl
| 0
| 98.5
| 95.5
| 103.8
| 75.19701
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102373
|
Cl.O=C(CCl)N1CCN(c2ccccc2F)CC1
| 0
| 55.8
| 79.7
| 64.3
| 75.73391
| 0.31
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102687
|
C=CC(=O)N1CC(c2ccccc2)C2COCCC21
| -0
| 102.6
| 104.9
| 114
| 75.7934
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102531
|
C=CC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1
| 0
| 106
| 106.2
| 91.3
| 76.85541
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102639
|
C=CC(=O)NC1(c2nnc3n2CCCC3)CCC1
| 0
| 101
| 131.4
| 122.7
| 77.3185
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102527
|
C=CC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
| 0
| 98.6
| 129.2
| 108.9
| 77.98807
| 0
| 0.09
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102611
|
C=CC(=O)N1CC(C)(C)C1c1cccs1
| 0
| 107.3
| 95.8
| 71.3
| 78.29156
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102944
|
Cc1nc(C2(NC(=O)CCl)CCCCCC2)no1
| 0
| 102.8
| 112.7
| 129.4
| 80.26205
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| null | null | null |
PCM-0103075
|
Cc1ccsc1CNC(=O)CCl
| 0
| 96.1
| 76.7
| 83.8
| 81.28754
| 0
| 0.21
| 0
| 0
| 0
| 0.55
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.1
|
PCM-0102708
|
Cc1ccc(Cn2ccsc2=NC(=O)CCl)cc1
| 0
| 36
| 3
| 7.9
| 82.68262
| 0.56
| 0
| 0
| 0
| 0.09
| 0
| 0
| 0
| 0
| 0.16
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102952
|
C=CC(=O)NCC1CCCc2sc(C)nc21
| 0
| 97.6
| 113.5
| 95.2
| 82.83612
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102714
|
CN(CC1CC1)C(=O)CCl
| 0
| 97
| 84.8
| 88.3
| 83.16718
| 0.09
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102397
|
Cl.O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
| 0
| 20.7
| 67.3
| 31.7
| 83.32306
| -1
| 0
| 0.38
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103081
|
CN(Cc1cc(Br)cs1)C(=O)CCl
| 0
| 5.1
| 45.5
| 11.9
| 83.89707
| -1
| 0
| 0.12
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102309
|
CN1C(=O)c2ccc(NC(=O)CCl)cc2C1=O
| 0
| 52.5
| 61.2
| 67.2
| 83.92335
| 0.22
| 0
| 0.16
| 0
| 0.12
| 0.19
| 0
| 0
| 0
| 0.29
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102370
|
COc1ccc(Cl)cc1NC(=O)CCl
| 0
| 3.7
| 34.6
| 3.3
| 84.37813
| 0.22
| 0
| 0
| 0
| 0.23
| 0.18
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102791
|
COC(=O)NC(=O)CCl
| 0
| 105.7
| 122.6
| 94.3
| 85.37119
| 0
| 0
| 0
| 0
| 0
| 0.09
| 0
| 0
| 0
| -1
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102720
|
C=CC(=O)NCC1(O)CCCC(C(F)(F)F)C1
| 0
| 93.2
| 107
| 105.7
| 85.76733
| 0.08
| 0
| 0
| 0
| 0
| 0.08
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102989
|
C=CC(=O)N1CCC(C(=O)c2cccs2)CC1
| 0
| 97.7
| 97.9
| 102
| 85.87951
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102486
|
C=CC(=O)NC(C)C(=O)N1CCc2ccccc21
| 0
| 99.8
| 89.6
| 99
| 86.47151
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.14
| 0
|
PCM-0102967
|
C=CC(=O)Nc1ccccc1C(=O)OC
| -0
| 90.2
| 81
| 68.8
| 87.31683
| -1
| 0
| 0
| 0
| 0.51
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102484
|
C=CC(=O)N(C)C1CCCCNC1=O
| 0
| 95.7
| 100.7
| 121.5
| 87.92115
| 0
| 0
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103066
|
Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1
| 0
| 64
| 65.3
| 36
| 90.003846
| -1
| 0
| 0
| 0
| 0
| 0.44
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102970
|
O=C(CCl)N1CCN(C(=O)C2CC2)CC1
| 0
| 83.8
| 72.5
| 66.6
| 90.265763
| 0
| -1
| 0
| 0
| 0.07
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102281
|
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1
| 0
| 7.1
| 62.6
| 9.5
| 90.548002
| 0.16
| 0
| 0.15
| 0
| 0.14
| 0
| 0
| 0
| 0
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102684
|
C=CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
| 0
| 99.9
| 103
| 104.7
| 90.576058
| 0
| 0
| 0
| 0
| 0.08
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102962
|
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1
| 0
| 30.1
| 75.3
| 15.6
| 91.809031
| 0.22
| 0
| 0.39
| 0
| 0
| 0
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102092
|
O=C(CCl)NC(=O)NCC1COc2ccccc2O1
| 0
| 49
| 33.4
| 7.6
| 91.866045
| 0
| 0
| 0.09
| 0
| 0
| 0
| 0
| 0
| 0
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103072
|
O=C(CCl)Nc1cccc(C(=O)N2CCSCC2)c1
| 0
| 34.5
| 55.2
| 7.8
| 92.142127
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.36
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102435
|
C=CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
| -0
| 96.3
| 93.3
| 85.7
| 92.222041
| 0
| 0
| 0
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102483
|
C=CC(=O)N(C)C1CCCc2nc(CC)sc21
| 0
| 98.1
| 103
| 97.3
| 93.037649
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102573
|
C=CC(=O)Nc1cccc(C(F)(F)F)c1
| 0
| 102.6
| 105.3
| 107.9
| 93.154554
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.39
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102467
|
C=CC(=O)N1CCC(CN)CC1.Cl
| 0
| 95.4
| 105.1
| 91
| 93.188191
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102375
|
O=C(CCl)Nc1ccccc1N1CCCC1=O
| 0
| 79.6
| 78
| 51.9
| 93.335781
| 0
| 0
| 0
| 0
| 0
| 0.13
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102810
|
C=CC(=O)N1CCC(c2noc(C3CC3)n2)CC1
| 0
| 103.1
| 102.7
| 94.1
| 93.404257
| 0.13
| 0
| 0
| 0
| 0.06
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102795
|
O=C(CCl)NC(=O)c1ccc[nH]1
| 0
| 96.2
| 100.5
| 148.6
| 93.664172
| 0.79
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102511
|
Cc1ccc([N+](=O)[O-])c(NC(=O)CCl)c1C
| 0
| 91.5
| 75.4
| 56.3
| 93.829906
| 0
| 0
| 0
| 0
| 0.15
| 0.07
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103009
|
CCc1sc(C(=O)NNC(=O)CCl)cc1C
| 0
| 70.4
| 68.3
| 73.2
| 94.026575
| 0.18
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0.09
| 1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102972
|
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1
| 0
| 84.6
| 106.5
| 76.6
| 94.352438
| 0
| 0
| 0
| 0
| 0
| 0.08
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102475
|
C=CC(=O)N1CCC2(CCN(C)C2=O)CC1
| 0
| 94.8
| 100.3
| 85.3
| 94.724202
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102404
|
O=C(CCl)NC1C2CC3CC(C2)CC1C3
| 0
| 63.3
| 68.9
| 90.6
| 95.142968
| 0.14
| 0
| 0
| 0
| 0
| 0.33
| 0
| 0
| 0
| 0.08
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103077
|
O=C(CCl)Nc1ccon1
| 0
| 77.3
| 61.1
| 64.8
| 95.28868
| 0
| 0
| 0
| 0
| 0
| 0.3
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102982
|
O=C(CCl)N1CCCC1=O
| 0
| 111.1
| 101
| 113.6
| 95.380157
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102984
|
CN(Cc1ccccc1)C(=O)CCl
| 0
| 78.6
| 91.6
| 55.2
| 95.736253
| 0
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102931
|
O=C(CCl)NC1CCN(C(=O)C2CCCCC2)CC1
| 0
| 82.9
| 78.6
| 118.4
| 95.754123
| 0.21
| 0
| 0
| 0
| 0
| 0.09
| 0
| 0
| 0
| 0.13
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102271
|
C=CC(=O)Nc1ccc(C(=O)O)cc1
| 0
| 111
| 94.2
| 95.1
| 95.8006
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103006
|
Cl.O=C(CCl)N1CCN(Cc2ccco2)CC1
| 0
| 88.6
| 85
| 65.7
| 95.870528
| -1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102932
|
CC(=O)N1CCC(NC(=O)CCl)CC1
| 0
| 95.1
| 85.9
| 88
| 95.898108
| -1
| 0
| 0
| 0
| 0
| 0.07
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102431
|
Cc1cc(CNC(=O)CCl)cc(C)c1O
| 0
| 85.7
| 96.3
| 84.6
| 96.005903
| 0.14
| 0
| 0
| 0
| 0
| 0.64
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102958
|
CN(Cc1ccc2c(c1)OCCO2)C(=O)CCl
| 0
| 74.4
| 81
| 52
| 96.909785
| 0.13
| 0
| 0
| 0
| 0.27
| 0.09
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102618
|
CCc1cccc(C)c1NC(=O)CCl
| 0
| 98.3
| 105.5
| 101
| 97.060778
| 0
| 0
| 0
| 0
| 0.11
| 0
| 0
| 0
| 0
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102488
|
C=CC(=O)N1CCC(CN2C(=O)CNC2=O)C1
| 0
| 96.6
| 113.6
| 100.1
| 97.325573
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103002
|
O=C(CCl)Nc1ccc(F)cc1
| 0
| 68.5
| 71.8
| 35.5
| 97.573874
| 0.29
| 0
| 0
| 0
| 0
| 0.3
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102315
|
CC1(C)C2CCC1(C)C(NC(=O)CCl)C2
| 0
| 84.4
| 95
| 75.9
| 97.738345
| 0
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
|
PCM-0102653
|
Cl.O=C(CCl)Nc1cccnc1
| 0
| 84.6
| 85.6
| 93.3
| 97.820148
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102632
|
CN(C)C(=O)CN(C)C(=O)CCl
| 0
| 101.5
| 113.8
| 89.7
| 97.933499
| 0
| 0
| 0
| 0
| 0
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102597
|
C=CC(=O)N1CCNC(=O)C1c1cccs1
| 0
| 103.2
| 112.7
| 81
| 99.142833
| 0
| 0
| 0.7
| 0
| 0
| -1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102304
|
CN(C)C(=O)CN1CCN(C(=O)CCl)CC1.Cl
| 0
| 106.9
| 114
| 128
| 99.202938
| 0
| 0
| 0.08
| 0
| 0
| 0
| 0
| 0
| 0
| 0.44
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102876
|
Cc1ccccc1CN1CCN(C(=O)CCl)CC1.Cl
| 0
| 31.1
| 69.2
| 38.1
| 99.264531
| -1
| 0
| 0.16
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102250
|
O=C(CCl)NC1CCCC1
| 0
| 71.9
| 69.1
| 58.7
| 99.638823
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102272
|
CC(C)N(C(=O)CCl)c1ccccc1
| 0
| 58.6
| 17.7
| 16
| 99.91672
| 0.21
| 0
| 0
| 0
| 0.22
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103065
|
O=C(CCl)NCC1CCC1
| 0
| 103.9
| 108.4
| 103.5
| 100.171541
| 0.12
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102983
|
Cc1nc(C2(NC(=O)CCl)CCCCC2)no1
| 0
| 102
| 112
| 99.7
| 100.634807
| 0
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102867
|
CC1CCCN(C(=O)CCl)C1
| 0
| 102.4
| 104
| 103.1
| 100.849421
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102991
|
C=CC(=O)NC1CCCN(c2cc(C)nn2C)C1=O
| 0
| 98.2
| 112.9
| 94.5
| 100.851573
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103046
|
CC(C)(C)n1ncc2c1CCCC2NC(=O)CCl.Cl
| 0
| 81.5
| 90.9
| 89.3
| 100.854451
| 0
| 0
| 0
| 0
| 0
| 0.36
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102903
|
NS(=O)(=O)c1ccccc1NC(=O)CCl
| 0
| 65.4
| 55.2
| 69.7
| 100.97217
| 0
| 0
| 0
| 0
| 0.29
| 0.14
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 1
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0103023
|
CC(C)N(C(=O)CCl)C(C)C
| 0
| 101.7
| 106.2
| 110.3
| 101.342745
| -1
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102416
|
O=C(CCl)Nc1ccccc1N1CCOCC1
| 0
| 99.5
| 90.7
| 112.6
| 101.844691
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102936
|
N#Cc1cccc(CNC(=O)CCl)c1
| 0
| 97.1
| 94.9
| 83.1
| 101.896611
| 0.08
| 0
| 0
| 0
| 0
| 0.32
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102939
|
CN(Cc1ccc(F)cc1)C(=O)CCl
| 0
| 34.8
| 69.2
| 42.7
| 101.930061
| 0.15
| 0
| 0
| 0
| 0
| 0.1
| 0
| 0
| 0
| 0.15
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
PCM-0102773
|
CC(C)(C)C(NC(=O)CCl)c1cccs1
| 0
| 86.9
| 72.8
| 63.6
| 102.600457
| 0.19
| 0
| 0
| 0
| 0.09
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| 0
| null | null | null |
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