ID No.
int64 1
1.2k
| Nickname
stringlengths 1
22
| Ref. No
stringlengths 2
4
| PCE_max(%)
float64 0.01
10.7
| PCE_ave(%)
float64 0.01
10.5
| Voc (V)
float64 0.2
1.09
| Jsc (mA cm^2)
float64 0.11
23.5
| FF
float64 0.25
0.77
| Mw (kg mol^-1)
float64 3.9
2.54k
| Mn (kg mol^-1)
stringlengths 1
5
| PDI (=Mw/Mn)
stringlengths 1
5
| Monomer (g mol^-1)
int64 196
3.14k
| -HOMO (eV)
float64 4.24
6.18
| -LUMO (eV)
float64 2.3
4.9
| bandgap(eV)
float64 1
2.4
| SMILES
stringlengths 21
458
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
201 |
PBTPyDPP
|
S86
| 4.88 | 4.88 | 0.92 | 7.96 | 0.658 | 22 |
18.0
|
1.22
| 1,043 | 5.77 | 3.86 | 1.71 |
CC1=CC=C(C2=CN=C(C3=C4C(C(N3CC(CCCCCCCC)CCCCCCCCCC)=O)=C(C5=CC=C(C6=CC=C(C)S6)C=N5)N(CC(CCCCCCCCCC)CCCCCCCC)C4=O)C=C2)S1
|
202 |
PDPP3T
|
S87
| 7.1 | 6.9 | 0.67 | 15.4 | 0.69 | 400 |
147.0
|
2.72
| 859 | 5.3 | 3.74 | 1.33 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCC)=C(C4=CC=C(C5=CC=C(C)S5)S4)N(CC(CCCCCC)CCCCCCCC)C2=O
|
203 |
PDPPTPT
|
S87
| 7.4 | 7.3 | 0.8 | 14 | 0.67 | 143 |
72.0
|
1.98
| 853 | 5.48 | 3.66 | 1.53 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCC)=C(C4=CC=C(C5=CC=C(C)C=C5)S4)N(CC(CCCCCC)CCCCCCCC)C2=O
|
204 |
PDPP3TaltTPT
|
S87
| 8 | 7.8 | 0.75 | 15.9 | 0.67 | 154 |
42.0
|
3.68
| 1,681 | 5.16 | 3.73 | 1.43 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCC)=C(C4=CC=C(C5=CC=C(C6=CC=C(S6)C7=C8C(C(N7CC(CCCCCCCC)CCCCCC)=O)=C(C9=CC=C(C%10=CC=C(C)S%10)S9)N(CC(CCCCCC)CCCCCCCC)C8=O)C=C5)S4)N(CC(CCCCCC)CCCCCCCC)C2=O
|
205 |
C3-DPPTTT
|
S88
| 8.8 | 8.8 | 0.57 | 23.5 | 0.66 | 154 |
80.0
|
1.90
| 1,139 | 5.08 | 3.69 | 1.39 |
O=C1C(C2=C(C3=CC4=C(C=C(C)S4)S3)N1CCCC(CCCCCCCCCC)CCCCCCCC)=C(C5=CC6=C(C=C(C7=CC=C(C)S7)S6)S5)N(CCCC(CCCCCCCC)CCCCCCCCCC)C2=O
|
206 |
C3-DPPTTSe
|
S88
| 7.6 | 7.6 | 0.56 | 21.5 | 0.63 | 238 |
95.0
|
2.50
| 1,187 | 5.07 | 3.7 | 1.37 |
O=C1C(C2=C(C3=CC4=C(C=C(C)S4)S3)N1CCCC(CCCCCCCCCC)CCCCCCCC)=C(C5=CC6=C(C=C(C7=CC=C(C)[Se]7)S6)S5)N(CCCC(CCCCCCCC)CCCCCCCCCC)C2=O
|
207 |
C3-DPPTTTe
|
S88
| 7.1 | 7.1 | 0.52 | 21.7 | 0.63 | 272 |
91.0
|
3.00
| 1,237 | 5.05 | 3.73 | 1.32 |
O=C1C(C2=C(C3=CC4=C(C=C(C)S4)S3)N1CCCC(CCCCCCCCCC)CCCCCCCC)=C(C5=CC6=C(C=C(C7=CC=C(C)[Te]7)S6)S5)N(CCCC(CCCCCCCC)CCCCCCCCCC)C2=O
|
208 |
PDPP2FT-C12
|
S89
| 5.2 | 4.8 | 0.65 | 12.2 | 0.6 | 78 |
46.0
|
1.70
| 714 | 5.2 | 3.8 | 1.4 |
CC1=CC=C(C2=CC=C(C(N(CCCCCCCCCCCC)C3=O)=C4C3=C(C5=CC=C(C)O5)N(CCCCCCCCCCCC)C4=O)O2)S1
|
209 |
PDPP2FT-C14
|
S89
| 6.5 | 6.2 | 0.65 | 14.8 | 0.64 | 92 |
58.0
|
1.59
| 771 | 5.2 | 3.8 | 1.4 |
CC1=CC=C(C2=CC=C(C(N(CCCCCCCCCCCCCC)C3=O)=C4C3=C(C5=CC=C(C)O5)N(CCCCCCCCCCCCCC)C4=O)O2)S1
|
210 |
PDPP2FT-C16
|
S89
| 6.2 | 5.7 | 0.65 | 12.3 | 0.69 | 87 |
55.0
|
1.60
| 827 | 5.3 | 3.9 | 1.4 |
CC1=CC=C(C2=CC=C(C(N(CCCCCCCCCCCCCCCC)C3=O)=C4C3=C(C5=CC=C(C)O5)N(CCCCCCCCCCCCCCCC)C4=O)O2)S1
|
211 |
PBDTT-FDPP
|
S90
| 4.7 | 4.5 | 0.77 | 10.9 | 0.56 | 77.4 |
35.2
|
2.20
| 1,209 | 5.26 | 3.64 | 1.51 |
CC(S1)=CC2=C1C(C3=CC=C(CC(CCCC)CC)S3)=C(C=C(C4=CC=C(C(N(CC(CCCCCC)CCCC)C5=O)=C6C5=C(C7=CC=C(C)O7)N(CC(CCCCCC)CCCC)C6=O)O4)S8)C8=C2C9=CC=C(CC(CC)CCCC)S9
|
212 |
PBDTT-DPP
|
S90
| 6.5 | 6.4 | 0.73 | 13.7 | 0.65 | 88.7 |
40.3
|
2.20
| 1,241 | 5.3 | 3.63 | 1.46 |
CC(S1)=CC2=C1C(C3=CC=C(CC(CCCC)CC)S3)=C(C=C(C4=CC=C(C(N(CC(CCCCCC)CCCC)C5=O)=C6C5=C(C7=CC=C(C)S7)N(CC(CCCCCC)CCCC)C6=O)S4)S8)C8=C2C9=CC=C(CC(CC)CCCC)S9
|
213 |
PBDTT-SeDPP
|
S90
| 7.2 | 7 | 0.69 | 16.8 | 0.62 | 79.8 |
38.0
|
2.10
| 1,336 | 5.25 | 3.7 | 1.38 |
CC(S1)=CC2=C1C(C3=CC=C(CC(CCCC)CC)S3)=C(C=C(C4=CC=C(C(N(CC(CCCCCC)CCCC)C5=O)=C6C5=C(C7=CC=C(C)[Se]7)N(CC(CCCCCC)CCCC)C6=O)[Se]4)S8)C8=C2C9=CC=C(CC(CC)CCCC)S9
|
214 |
PDPP2TBP
|
S91
| 5.7 | 5.7 | 0.8 | 11.5 | 0.63 | 176.9 |
49.0
|
3.61
| 1,041 | 5.39 | 3.76 | 1.63 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCCCCCC)=C(C4=CC=C(C5=CC=C(C6=CC=C(C)C=C6)C=C5)S4)N(CC(CCCCCCCCCC)CCCCCCCC)C2=O
|
215 |
F1-PDPP2TBP
|
S91
| 3.7 | 3.7 | 0.89 | 6.7 | 0.62 | 277.8 |
67.6
|
4.11
| 1,077 | 5.44 | 3.85 | 1.59 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCCCCCC)=C(C4=CC=C(C5=CC=C(C6=CC(F)=C(C)C=C6)C=C5F)S4)N(CC(CCCCCCCCCC)CCCCCCCC)C2=O
|
216 |
F2-PDPP2TBP
|
S91
| 4.1 | 4.1 | 0.93 | 7.7 | 0.56 | 142.6 |
72.0
|
1.98
| 1,077 | 5.48 | 3.78 | 1.7 |
O=C1C(C2=C(C3=CC=C(C)S3)N1CC(CCCCCCCC)CCCCCCCCCC)=C(C4=CC=C(C5=CC(F)=C(C6=CC=C(C)C=C6F)C=C5)S4)N(CC(CCCCCCCCCC)CCCCCCCC)C2=O
|
217 |
PDPPTNT
|
S92
| 4.7 | 4.7 | 0.76 | 11.8 | 0.52 | 91.3 |
63.8
|
1.43
| 1,015 | 5.29 | 3.79 | 1.5 |
O=C1N(CC(CCCCCCCC)CCCCCCCCCC)C(C2=CC=C(C3=CC(C=CC(C)=C4)=C4C=C3)S2)=C5C(N(CC(CCCCCCCC)CCCCCCCCCC)C(C6=CC=C(C)S6)=C51)=O
|
218 |
DT-PDPPTPT
|
S93
| 3.2 | 3.2 | 0.81 | 6.6 | 0.59 | 215.6 |
89.2
|
2.42
| 1,077 | 5.4 | 3.86 | 1.54 |
CC1=CC=C(C2=C3C(C(N2CC(CCCCCCCCCCCC)CCCCCCCCCC)=O)=C(C4=CC=C(C5=CC=C(C)C=C5)S4)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=O)S1
|
219 |
DT-PDPP3T
|
S93
| 4.8 | 4.8 | 0.65 | 10.6 | 0.71 | 457.5 |
136.8
|
3.34
| 1,083 | 5.25 | 3.89 | 1.36 |
CC1=CC=C(C2=C3C(C(N2CC(CCCCCCCCCCCC)CCCCCCCCCC)=O)=C(C4=CC=C(C5=CC=C(C)S5)S4)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=O)S1
|
220 |
DT-PDPP2T-DBT
|
S93
| 5.3 | 5.3 | 0.76 | 10.2 | 0.68 | 552 |
149.9
|
3.68
| 1,183 | 5.36 | 3.74 | 1.62 |
CC1=CC=C(C2=C3C(C(N2CC(CCCCCCCCCCCC)CCCCCCCCCC)=O)=C(C4=CC=C(C5=CC=C(C(C=CC(C)=C6)=C6S7)C7=C5)S4)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=O)S1
|
221 |
DT-PDPP4T
|
S93
| 7.1 | 7.1 | 0.64 | 16 | 0.69 | 640.5 |
218.5
|
2.93
| 1,165 | 5.09 | 3.66 | 1.43 |
CC1=CC=C(C2=C3C(C(N2CC(CCCCCCCCCCCC)CCCCCCCCCC)=O)=C(C4=CC=C(C5=CC=C(C6=CC=C(C)S6)S5)S4)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C3=O)S1
|
222 |
reg-PDPP/TPDalt2T
|
S94
| 5.3 | 5.1 | 0.78 | 9.6 | 0.68 | 137 |
50.0
|
2.74
| 1,330 | 5.78 | 3.84 | 1.42 |
CC1=C2C(C(N1CC(CCCCCCCC)CCCCCC)=O)=C(C3=CC=C(C4=CC=C(C5=C6C(C(N(C(CCCCCCCC)CCCCCCCC)C6=O)=O)=C(C7=CC=C(C8=CC=C(C)S8)S7)S5)S4)S3)N(CC(CCCCCCCC)CCCCCC)C2=O
|
223 |
DTS-D-C
|
S95
| 0.77 | 0.77 | 0.88 | 1.9 | 0.46 | 21.9 |
15.9
|
1.38
| 1,133 | 5.3 | 3.94 | 1.44 |
CC1=CC2=C(C(SC(C3=C(CCCCCCCCCCCC)C=C(C4=C5C(C(C(F)(F)C5=O)=O)=C(C6=CC(CCCCCCCCCCCC)=C(C)S6)S4)S3)=C7)=C7[Si]2(CC(CC)CCCC)CC(CC)CCCC)S1
|
224 |
DTS-Ch
|
S95
| 1.44 | 1.44 | 0.95 | 5.83 | 0.26 | 13.3 |
8.3
|
1.60
| 764 | 5.4 | 3.72 | 1.68 |
CC1=CC2=C(C(SC(C3=C4C(C(C(CCCCCC)(CCCCCC)C4=O)=O)=C(C)S3)=C5)=C5[Si]2(CC(CC)CCCC)CC(CC)CCCC)S1
|
225 |
DTS-Chy
|
S95
| 1.36 | 1.36 | 0.85 | 3.91 | 0.41 | 10.7 |
6.3
|
1.70
| 776 | 5.27 | 3.7 | 1.57 |
CC1=CC2=C(C(SC(C3=C4C(C(/C(C4=O)=C(CCCCCC)/CCCCCC)=O)=C(C)S3)=C5)=C5[Si]2(CC(CC)CCCC)CC(CC)CCCC)S1
|
226 |
DTS-T-Ch
|
S95
| 5.17 | 5.17 | 0.8 | 10.1 | 0.64 | 23.4 |
11.7
|
2.00
| 928 | 5.16 | 3.43 | 1.73 |
O=C1C(CCCCCC)(CCCCCC)C(C2=C(C)SC(C(S3)=CC=C3C4=CC([Si]5(CC(CC)CCCC)CC(CC)CCCC)=C(S4)C6=C5C=C(C7=CC=C(C)S7)S6)=C21)=O
|
227 |
DTS-T-Chy
|
S95
| 3.79 | 3.79 | 0.68 | 9.1 | 0.61 | 19.8 |
7.9
|
2.50
| 940 | 5.02 | 3.46 | 1.56 |
O=C(C1=C(C(S2)=CC=C2C3=CC([Si]4(CC(CC)CCCC)CC(CC)CCCC)=C(S3)C5=C4C=C(C6=CC=C(C)S6)S5)SC(C)=C1C/7=O)C7=C(CCCCCC)/CCCCCC
|
228 |
DTS-T6
|
S95
| 2.7 | 2.7 | 0.98 | 6.01 | 0.46 | 27.9 |
19.1
|
1.46
| 832 | 5.21 | 3.49 | 1.72 |
CC1=CC2=C(C(SC(C3=C4C(C(C5=C(CCCCCC)SC(CCCCCC)=C5C4=O)=O)=C(C)S3)=C6)=C6[Si]2(CC(CC)CCCC)C[C@@H](CC)CCCC)S1
|
229 |
BDT-C6
|
S95
| 0.45 | 0.45 | 0.83 | 1.81 | 0.3 | 44.3 |
18.6
|
2.38
| 854 | 5.23 | 3.37 | 1.86 |
CC(S1)=CC2=C1C(OCC(CCCC)CC)=C(C=C(C3=C4C(C(C(C=C(CCCCCC)C(CCCCCC)=C5)=C5C4=O)=O)=C(C)S3)S6)C6=C2OCC(CCCC)CC
|
230 |
BDT-T6
|
S95
| 0.73 | 0.73 | 0.87 | 2.64 | 0.33 | 66.4 |
18.8
|
3.53
| 860 | 5.32 | 3.4 | 1.92 |
CC(S1)=CC2=C1C(OCC(CCCC)CC)=C(C=C(C3=C4C(C(C5=C(CCCCCC)SC(CCCCCC)=C5C4=O)=O)=C(C)S3)S6)C6=C2OCC(CCCC)CC
|
231 |
DTS-C4
|
S95
| 4.28 | 4.28 | 0.91 | 10.1 | 0.47 | 83 |
41.5
|
2.00
| 770 | 5.33 | 3.7 | 1.63 |
CC1=CC2=C(C(SC(C3=C4C(C(C(C=C(CCCC)C(CCCC)=C5)=C5C4=O)=O)=C(C)S3)=C6)=C6[Si]2(CC(CC)CCCC)C[C@@H](CC)CCCC)S1
|
232 |
DTS-Ceh
|
S95
| 5.15 | 5.15 | 0.94 | 9.46 | 0.58 | 90.8 |
53.4
|
1.70
| 882 | 5.27 | 3.65 | 1.62 |
CC1=CC2=C(C(SC(C3=C4C(C(C(C=C(CC(CCCC)CC)C(CC(CCCC)CC)=C5)=C5C4=O)=O)=C(C)S3)=C6)=C6[Si]2(CC(CC)CCCC)C[C@@H](CC)CCCC)S1
|
233 |
DTS-C8
|
S95
| 2.35 | 2.35 | 0.88 | 5 | 0.53 | 92.6 |
46.3
|
2.00
| 882 | 5.27 | 3.63 | 1.64 |
CC1=CC2=C(C(SC(C3=C4C(C(C(C=C(CCCCCCCC)C(CCCCCCCC)=C5)=C5C4=O)=O)=C(C)S3)=C6)=C6[Si]2(CC(CC)CCCC)C[C@@H](CC)CCCC)S1
|
234 |
DTS-C6
|
S95
| 7.85 | 7.85 | 0.86 | 14.39 | 0.64 | 72.8 |
42.8
|
1.70
| 826 | 5.25 | 3.63 | 1.62 |
CC1=CC2=C(C(SC(C3=C4C(C(C(C=C(CCCCCC)C(CCCCCC)=C5)=C5C4=O)=O)=C(C)S3)=C6)=C6[Si]2(CC(CC)CCCC)C[C@@H](CC)CCCC)S1
|
235 |
BTI-BDT
|
S96
| 4.39 | 4.39 | 0.88 | 9.69 | 0.518 | 71.5 |
21.8
|
3.28
| 875 | 5.41 | 2.3 | 1.93 |
CC1=CC2=C(OCC(CCCC)CC)C(S3)=C(C(OCC(CCCC)CC)=C2S1)C=C3C4=CC(C(N(CC(CCCCCC)CCCC)C5=O)=O)=C(S4)C6=C5C=C(C)S6
|
236 |
BTI-BDT(2)
|
S96
| 5.5 | 5.5 | 0.92 | 9.62 | 0.62 | 100.3 |
34.0
|
2.95
| 1,044 | 5.39 | 2.54 | 1.93 |
CC1=CC2=C(OCCCCCCCCCCCC)C(S3)=C(C(OCCCCCCCCCCCC)=C2S1)C=C3C4=CC(C(N(CC(CCCCCC)CCCCCCCC)C5=O)=O)=C(S4)C6=C5C=C(C)S6
|
237 |
ÇsÇs1
|
S97
| 0.6 | 0.6 | 0.56 | 2.83 | 0.38 | 32 |
18.8
|
1.70
| 1,385 | 5.35 | 3.94 | 1.41 |
CC1=CC(CCCCCCCCCCCC)=C(C2=NC(SC(C3=C(CCCCCCCCCCCC)C=C(C4=CC=C5C(N(CC(CCCCCCCC)CCCCCC)C(/C5=C6C(SC(C)=C7)=C7N(CC(CCCCCC)CCCCCCCC)C\6=O)=O)=C4)S3)=N8)=C8S2)S1
|
238 |
TT2
|
S97
| 3.4 | 3.4 | 0.58 | 8.54 | 0.69 | 127 |
36.3
|
3.50
| 1,885 | 5.43 | 3.98 | 1.45 |
CC1=CC(CCCCCCCCCCCC)=C(C2=NC(SC(C3=C(CCCCCCCCCCCC)C=C(C4=C(CCCCCCCCCCCC)C=C(C5=CC=C6C(N(CC(CCCCCCCC)CCCCCC)C(/C6=C7C(SC(C8=CC(CCCCCCCCCCCC)=C(C)S8)=C9)=C9N(CC(CCCCCC)CCCCCCCC)C\7=O)=O)=C5)S4)S3)=N%10)=C%10S2)S1
|
239 |
BT1
|
S97
| 3.29 | 3.29 | 0.73 | 6.72 | 0.67 | 142 |
67.6
|
2.10
| 1,435 | 5.5 | 3.98 | 1.52 |
CC1=CC(CCCCCCCCCCCC)=C(C2=NC(C=C(SC(C3=C(CCCCCCCCCCCC)C=C(C4=CC=C5C(N(CC(CCCCCCCC)CCCCCC)C(/C5=C6C(SC(C)=C7)=C7N(CC(CCCCCC)CCCCCCCC)C\6=O)=O)=C4)S3)=N8)C8=C9)=C9S2)S1
|
240 |
BT2
|
S97
| 4.18 | 4.18 | 0.62 | 10.07 | 0.67 | 231 |
59.2
|
3.90
| 1,935 | 5.41 | 3.92 | 1.49 |
CC1=CC(CCCCCCCCCCCC)=C(C2=NC(C=C(SC(C3=C(CCCCCCCCCCCC)C=C(C4=C(CCCCCCCCCCCC)C=C(C5=CC=C6C(N(CC(CCCCCCCC)CCCCCC)C(/C6=C7C(SC(C8=CC(CCCCCCCCCCCC)=C(C)S8)=C9)=C9N(CC(CCCCCC)CCCCCCCC)C\7=O)=O)=C5)S4)S3)=N%10)C%10=C%11)=C%11S2)S1
|
241 |
IP1
|
S98
| 0.51 | 0.51 | 0.39 | 3.26 | 0.4 | 88.3 |
40.1
|
2.20
| 970 | 4.9 | 3.8 | 1.1 |
O=C(N1CC(CCCC)CC)/C(C2=C1C=C(C)S2)=C3C(N(CC(CC)CCCC)C4=C/3SC(C5=CC6=C(OCC(CCCC)CC)C7=C(C=C(C)S7)C(OCC(CCCC)CC)=C6S5)=C4)=O
|
242 |
IP2
|
S98
| 0.27 | 0.27 | 0.3 | 1.73 | 0.52 | 14.9 |
8.8
|
1.70
| 926 | 4.8 | 3.8 | 1 |
O=C(N1CC(CCCC)CC)/C(C2=C1C=C(C)S2)=C3C(N(CC(CC)CCCC)C4=C/3SC(C5=CC6=C(C(SC(C)=C7)=C7C6(CC(CCCC)CC)CC(CCCC)CC)S5)=C4)=O
|
243 |
IP3
|
S98
| 1.3 | 1.3 | 0.73 | 3.22 | 0.53 | 23.9 |
10.4
|
2.30
| 915 | 5.4 | 3.8 | 1.6 |
O=C(N1CC(CCCC)CC)/C(C2=C1C=C(C)S2)=C3C(N(CC(CC)CCCC)C4=C/3SC(C5=CC(C(CCCCCCCC)(CCCCCCCC)C6=CC(C)=CC=C67)=C7C=C5)=C4)=O
|
244 |
IsoC6
|
S99
| 5.2 | 5.1 | 0.69 | 12.3 | 0.58 | 207 |
80.0
|
2.60
| 1,153 | 5.58 | 3.93 | 1.57 |
CC1=CC(CCCCCC)=C(C2=CC=C(C3=C(CCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
245 |
IsoC8
|
S99
| 5.6 | 5.2 | 0.7 | 12.7 | 0.57 | 146 |
70.0
|
2.10
| 1,209 | 5.58 | 3.9 | 1.57 |
CC1=CC(CCCCCCCC)=C(C2=CC=C(C3=C(CCCCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
246 |
IsoC10
|
S99
| 4.2 | 4.1 | 0.63 | 11.6 | 0.54 | 126 |
61.0
|
2.10
| 1,265 | 5.6 | 4.06 | 1.55 |
CC1=CC(CCCCCCCCCC)=C(C2=CC=C(C3=C(CCCCCCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
247 |
IsoC12
|
S99
| 4.1 | 4 | 0.66 | 11.3 | 0.52 | 125 |
65.0
|
1.90
| 1,321 | 5.55 | 3.84 | 1.58 |
CC1=CC(CCCCCCCCCCCC)=C(C2=CC=C(C3=C(CCCCCCCCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
248 |
IsoC12
|
S99
| 4.1 | 4 | 0.69 | 11 | 0.51 | 103 |
41.0
|
2.50
| 1,321 | 5.55 | 3.89 | 1.58 |
CC1=CC(CCCCCCCCCCCC)=C(C2=CC=C(C3=C(CCCCCCCCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
249 |
Iso2EH
|
S99
| 0.3 | 0.3 | 0.88 | 0.8 | 0.58 | 126 |
53.0
|
2.40
| 1,209 | 5.81 | 3.93 | 1.6 |
CC1=CC(CC(CCCC)CC)=C(C2=CC=C(C3=C(CC(CCCC)CC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
250 |
PNDTI-T
|
S100
| 1.23 | 1.2 | 0.56 | 4.8 | 0.46 | 26.1 |
13.8
|
1.90
| 1,161 | 5.8 | 4 | 1.4 |
O=C(C1=C2C(C3=C(C=C(C4=CC=C(C)S4)S5)C5=C26)=C(C(N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=O)=O)C7=C1C=C(C)S7)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C6=O
|
251 |
PNDTI-TT
|
S100
| 2.07 | 2 | 0.62 | 6.4 | 0.5 | 48.9 |
19.0
|
2.60
| 1,217 | 5.7 | 4.1 | 1.3 |
O=C(C1=C2C(C3=C(C=C(C4=CC5=C(C=C(C)S5)S4)S6)C6=C27)=C(C(N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=O)=O)C8=C1C=C(C)S8)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C7=O
|
252 |
PNDTI-DTT
|
S100
| 3.28 | 3.2 | 0.66 | 9.6 | 0.51 | 68.5 |
28.7
|
2.40
| 1,273 | 5.6 | 4 | 1.3 |
O=C(C1=C2C(C3=C(C=C(C4=CC5=C(C(SC(C)=C6)=C6S5)S4)S7)C7=C28)=C(C(N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=O)=O)C9=C1C=C(C)S9)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C8=O
|
253 |
PNDTI-BT
|
S100
| 2.6 | 2.6 | 0.66 | 8.1 | 0.49 | 90.4 |
27.4
|
3.30
| 1,243 | 5.6 | 4.1 | 1.3 |
O=C(C1=C2C(C3=C(C=C(C4=CC=C(C5=CC=C(C)S5)S4)S6)C6=C27)=C(C(N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C3=O)=O)C8=C1C=C(C)S8)N(CC(CCCCCCCCCCCC)CCCCCCCCCC)C7=O
|
254 |
PBDTT-TT
|
S101
| 7.42 | 7.35 | 0.77 | 14.99 | 0.639 | 132.1 |
95.0
|
1.39
| 918 | 5.3 | 3.17 | 1.58 |
CC(S1)=CC2=C1C(C3=CC=C(CC(CC)CCCC)S3)=C(C=C(C4=C5C(C(F)=C(C(OCC(CC)CCCC)=O)S5)=C(C)S4)S6)C6=C2C7=CC=C(CC(CCCC)CC)S7
|
255 |
PBDTT-O-TT
|
S101
| 7.1 | 7.01 | 0.73 | 15.17 | 0.644 | 118.6 |
78.0
|
1.52
| 950 | 5.18 | 3.15 | 1.53 |
CC(S1)=CC2=C1C(C3=CC=C(OCC(CC)CCCC)S3)=C(C=C(C4=C5C(C(F)=C(C(OCC(CC)CCCC)=O)S5)=C(C)S4)S6)C6=C2C7=CC=C(OCC(CCCC)CC)S7
|
256 |
PBDTT-S-TT
|
S101
| 8.42 | 8.35 | 0.84 | 15.32 | 0.655 | 172.3 |
118.0
|
1.46
| 982 | 5.41 | 3.27 | 1.57 |
CC(S1)=CC2=C1C(C3=CC=C(SCC(CC)CCCC)S3)=C(C=C(C4=C5C(C(F)=C(C(OCC(CC)CCCC)=O)S5)=C(C)S4)S6)C6=C2C7=CC=C(SCC(CCCC)CC)S7
|
257 |
PBDT-TS1
|
S102
| 9.48 | 9.19 | 0.8 | 17.37 | 0.661 | 64.9 |
29.4
|
2.21
| 982 | 5.33 | 3.52 | 1.51 |
CC(S1)=CC2=C1C(C3=CC=C(SCCCCCCCC)S3)=C(C=C(C4=C5C(C(F)=C(C(OCC(CC)CCCC)=O)S5)=C(C)S4)S6)C6=C2C7=CC=C(SCCCCCCCC)S7
|
258 |
PBTz4T
|
S103
| 2.6 | 2.6 | 0.74 | 5.6 | 0.63 | 114 |
36.1
|
3.20
| 1,053 | 5.07 | 3.53 | 1.65 |
CC1=CC=C(C2=C(CC(CCCCCCCC)CCCCCCCCCC)C=C(C3=CC=C(C4=CC(CC(CCCCCCCCCC)CCCCCCCC)=C(C5=CC=C(C)S5)S4)C6=NSN=C63)S2)S1
|
259 |
PNNT12HD
|
S104
| 8.2 | 8 | 0.82 | 15.6 | 0.64 | 88.9 |
36.0
|
2.47
| 1,459 | 5.22 | 3.54 | 1.68 |
CC(S1)=C(CC(CCCCCCCC)CCCCCC)C=C1C2=CC(C3=NSN=C34)=C(C5=NSN=C52)C=C4C6=CC(CC(CCCCCC)CCCCCCCC)=C(S6)C7=CC8=C(C9=CC(CCCCCCCCCCCC)=C(C=C(C)S%10)C%10=C9C=C8CCCCCCCCCCCC)S7
|
260 |
PNNT12DT
|
S104
| 4.1 | 4 | 0.86 | 7.3 | 0.65 | 139 |
46.1
|
3.02
| 1,683 | 5.22 | 3.54 | 1.69 |
CC(S1)=C(CC(CCCCCCCCCCCC)CCCCCCCCCC)C=C1C2=CC(C3=NSN=C34)=C(C5=NSN=C52)C=C4C6=CC(CC(CCCCCCCCCC)CCCCCCCCCCCC)=C(S6)C7=CC8=C(C9=CC(CCCCCCCCCCCC)=C(C=C(C)S%10)C%10=C9C=C8CCCCCCCCCCCC)S7
|
261 |
PNNTDT
|
S104
| 5.5 | 5.2 | 0.83 | 12.3 | 0.54 | 310 |
31.0
|
10.00
| 1,347 | 5.25 | 3.54 | 1.64 |
CC(S1)=C(CC(CCCCCCCCCCCC)CCCCCCCCCC)C=C1C2=CC(C3=NSN=C34)=C(C5=NSN=C52)C=C4C6=CC(CC(CCCCCCCCCC)CCCCCCCCCCCC)=C(S6)C7=CC8=C(C9=CC=C(C=C(C)S%10)C%10=C9C=C8)S7
|
262 |
PNDT3BTz-DT
|
S105
| 3.8 | 3.8 | 0.7 | 8.4 | 0.64 | 54.5 |
30.3
|
1.80
| 1,239 | 5.15 | 3.45 | 1.7 |
CC1=CC2=CC=C(C(C=C3)=C2S1)C4=C3C=C(S4)C5=C(CC(CCCCCCCCCC)CCCCCCCCCCCC)C=C(C6=CC=C(C7=CC(CC(CCCCCCCCCCCC)CCCCCCCCCC)=C(C)S7)C8=NSN=C68)S5
|
263 |
PNDT3NTz-DT
|
S105
| 4.9 | 4.9 | 0.83 | 11.3 | 0.52 | 310 |
31.0
|
10.00
| 1,347 | 5.25 | 3.65 | 1.6 |
CC1=CC2=CC=C(C(C=C3)=C2S1)C4=C3C=C(S4)C5=C(CC(CCCCCCCCCC)CCCCCCCCCCCC)C=C(C6=CC(C7=NSN=C7C(C8=CC(CC(CCCCCCCCCCCC)CCCCCCCCCC)=C(C)S8)=C9)=C9C%10=NSN=C6%10)S5
|
264 |
PNTz4TF2
|
S106
| 10.5 | 10.1 | 0.82 | 19.3 | 0.67 | 1,520 |
66.5
|
22.90
| 1,309 | 5.38 | 3.53 | 1.6 |
CC1=C(CC(CCCCCCCCCC)CCCCCCCCCCCC)C=C(C2=CC(C3=NSN=C3C(C4=CC(CC(CCCCCCCCCCCC)CCCCCCCCCC)=C(C5=CC(F)=C(C6=C(F)C=C(C)S6)S5)S4)=C7)=C7C8=NSN=C82)S1
|
265 |
PNTz4TF4
|
S106
| 6.5 | 5.9 | 0.93 | 10.5 | 0.66 | 34.1 |
15.8
|
2.16
| 1,345 | 5.49 | 3.56 | 1.62 |
CC1=C(CC(CCCCCCCCCC)CCCCCCCCCCCC)C=C(C2=CC(C3=NSN=C3C(C4=CC(CC(CCCCCCCCCCCC)CCCCCCCCCC)=C(C5=C(F)C(F)=C(C6=C(F)C(F)=C(C)S6)S5)S4)=C7)=C7C8=NSN=C82)S1
|
266 |
PBDT-DTBT
|
S107
| 2.11 | 2.11 | 1 | 5.8 | 0.346 | 130 |
40.5
|
3.20
| 1,409 | 5.26 | 3.1 | 1.73 |
CC(S1)=CC2=C1C(C3=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S3)=C(C=C(C4=C(CCCCCC)C=C(C5=CC=C(C6=CC(CCCCCC)=C(C)S6)C7=NSN=C57)S4)S8)C8=C2C9=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S9
|
267 |
PBDT-DTNT
|
S107
| 6 | 6 | 0.8 | 11.71 | 0.61 | 59.3 |
24.1
|
2.46
| 1,517 | 5.19 | 3.26 | 1.58 |
CC(S1)=CC2=C1C(C3=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S3)=C(C=C(C4=C(CCCCCC)C=C(C5=CC6=C(C=C(C7=CC(CCCCCC)=C(C)S7)C8=NSN=C86)C9=NSN=C59)S4)S%10)C%10=C2C%11=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S%11
|
268 |
PTzNTz-EHBO
|
S108
| 9 | 8.7 | 0.84 | 16 | 0.67 | 64.3 |
32.7
|
2.00
| 1,301 | 5.41 | 3.45 | 1.58 |
CC1=CC(CC(CCCC)CC)=C(C2=NC(SC(C3=C(CC(CCCC)CC)C=C(C4=C(CC(CCCCCC)CCCC)C=C(C5=CC(C6=NSN=C6C(C7=CC(CC(CCCCCC)CCCC)=C(C)S7)=C8)=C8C9=NSN=C95)S4)S3)=N%10)=C%10S2)S1
|
269 |
PTzNTz-EHHD
|
S108
| 8.8 | 8.5 | 0.84 | 15.6 | 0.67 | 91.8 |
47.0
|
2.00
| 1,413 | 5.4 | 3.46 | 1.58 |
CC1=CC(CC(CCCC)CC)=C(C2=NC(SC(C3=C(CC(CCCC)CC)C=C(C4=C(CC(CCCCCC)CCCCCCCC)C=C(C5=CC(C6=NSN=C6C(C7=CC(CC(CCCCCC)CCCCCCCC)=C(C)S7)=C8)=C8C9=NSN=C95)S4)S3)=N%10)=C%10S2)S1
|
270 |
PTzNTz-BOBO
|
S108
| 8.8 | 8.5 | 0.84 | 16.6 | 0.63 | 113.2 |
51.6
|
2.20
| 1,413 | 5.4 | 3.46 | 1.57 |
CC1=CC(CC(CCCC)CCCCCC)=C(C2=NC(SC(C3=C(CC(CCCC)CCCCCC)C=C(C4=C(CC(CCCCCC)CCCC)C=C(C5=CC(C6=NSN=C6C(C7=CC(CC(CCCCCC)CCCC)=C(C)S7)=C8)=C8C9=NSN=C95)S4)S3)=N%10)=C%10S2)S1
|
271 |
PTzNTz-BOHD
|
S108
| 5.2 | 4.8 | 0.84 | 9.8 | 0.63 | 59.2 |
29.1
|
2.20
| 1,525 | 5.41 | 3.44 | 1.57 |
CC1=CC(CC(CCCC)CCCCCC)=C(C2=NC(SC(C3=C(CC(CCCC)CCCCCC)C=C(C4=C(CC(CCCCCC)CCCCCCCC)C=C(C5=CC(C6=NSN=C6C(C7=CC(CC(CCCCCC)CCCCCCCC)=C(C)S7)=C8)=C8C9=NSN=C95)S4)S3)=N%10)=C%10S2)S1
|
272 |
PF-C12NT
|
S109
| 6.51 | 6.51 | 0.87 | 12.19 | 0.614 | 69.3 |
23.4
|
2.95
| 1,325 | 5.47 | 3.79 | 1.68 |
CC1=CC=C(C(C=CC(C2=CC(CCCCCCCCCCCC)=C(C3=CC=C(C4=CC(C5=NSN=C5C(C6=CC=C(C7=C(CCCCCCCCCCCC)C=C(C)S7)S6)=C8)=C8C9=NSN=C94)S3)S2)=C%10)=C%10C%11(CCCCCCCC)CCCCCCCC)C%11=C1
|
273 |
PAF-C12NT
|
S109
| 3.64 | 3.64 | 0.69 | 8.45 | 0.625 | 59.9 |
16.6
|
3.60
| 1,505 | 5.4 | 3.85 | 1.55 |
CC1=CC=C(C(C=CC(C2=CC(CCCCCCCCCCCC)=C(C3=CC=C(C4=CC(C5=NSN=C5C(C6=CC=C(C7=C(CCCCCCCCCCCC)C=C(C)S7)S6)=C8)=C8C9=NSN=C94)S3)S2)=C%10)=C%10/C%11=C(CC(CCCCCCCC)CCCCCC)/CCCCCCCCCCCC)C%11=C1
|
274 |
PCz-C12NT
|
S109
| 4.85 | 4.85 | 0.76 | 11.31 | 0.564 | 84.3 |
21.6
|
3.89
| 1,340 | 5.35 | 3.72 | 1.63 |
CC1=CC=C(C(C=CC(C2=CC(CCCCCCCCCCCC)=C(C3=CC=C(C4=CC(C5=NSN=C5C(C6=CC=C(C7=C(CCCCCCCCCCCC)C=C(C)S7)S6)=C8)=C8C9=NSN=C94)S3)S2)=C%10)=C%10N%11C(CCCCCCCC)CCCCCCCC)C%11=C1
|
275 |
PBDT-C12NT
|
S109
| 5 | 5 | 0.68 | 10.74 | 0.685 | 69.4 |
22.3
|
3.10
| 1,849 | 5.19 | 3.68 | 1.51 |
CC1=CC(CCCCCCCCCCCC)=C(S1)C(S2)=CC=C2C3=CC(C4=NSN=C45)=C(C6=NSN=C63)C=C5C7=CC=C(S7)C(S8)=C(CCCCCCCCCCCC)C=C8C9=CC(C(C%10=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S%10)=C(SC(C)=C%11)C%11=C%12C%13=CC(CCCCCCCCCC)=C(CCCCCCCCCC)S%13)=C%12S9
|
276 |
PN1
|
S110
| 2.78 | 2.78 | 0.85 | 8.65 | 0.378 | 32.7 |
14.2
|
2.30
| 1,257 | 5.39 | 3.75 | 1.64 |
CC1=CC2=C(C(C3=CC(OCC(CCCC)CC)=CC=C3)=C(C=C(C4=C(CC(CC)CCCC)C=C(C5=CC6=C(C=C(C7=CC(CC(CC)CCCC)=C(C)S7)C8=NSN=C86)C9=NSN=C59)S4)S%10)C%10=C2C%11=CC(OCC(CC)CCCC)=CC=C%11)S1
|
277 |
PIDT-EHNT
|
S111
| 1.49 | 1.34 | 0.86 | 4.33 | 0.4 | 42.1 |
19.4
|
2.17
| 1,677 | 5.48 | 3.79 | 1.69 |
CC1=CC(C(C2=CC=C(CCCCCCCC)C=C2)(C3=CC=C(CCCCCCCC)C=C3)C4=CC(C(SC(C5=C(C[C@H](CCCC)CC)C=C(C6=CC7=C(C=C(C8=CC(C[C@H](CC)CCCC)=C(C)S8)C9=NSN=C97)C%10=NSN=C6%10)S5)=C%11)=C%11C%12(C%13=CC=C(CCCCCCCC)C=C%13)C%14=CC=C(CCCCCCCC)C=C%14)=C%12C=C4%15)=C%15S1
|
278 |
PIDT-DTNT
|
S111
| 2.97 | 2.52 | 0.8 | 8.26 | 0.45 | 35.6 |
17.6
|
2.02
| 1,621 | 5.48 | 3.83 | 1.65 |
CC1=CC(C(C2=CC=C(CCCCCCCC)C=C2)(C3=CC=C(CCCCCCCC)C=C3)C4=CC(C(SC(C5=C(CCCCCC)C=C(C6=CC7=C(C=C(C8=CC(CCCCCC)=C(C)S8)C9=NSN=C97)C%10=NSN=C6%10)S5)=C%11)=C%11C%12(C%13=CC=C(CCCCCCCC)C=C%13)C%14=CC=C(CCCCCCCC)C=C%14)=C%12C=C4%15)=C%15S1
|
279 |
PIDT-C12NT
|
S111
| 5.05 | 4.88 | 0.9 | 10.21 | 0.55 | 43.6 |
17.5
|
2.49
| 1,953 | 5.52 | 3.88 | 1.64 |
CC1=CC(C(C2=CC=C(CCCCCCCC)C=C2)(C3=CC=C(CCCCCCCC)C=C3)C4=CC(C(SC(C5=CC(CCCCCCCCCCCC)=C(C6=CC=C(C7=CC8=C(C=C(C9=CC=C(C%10=C(CCCCCCCCCCCC)C=C(C)S%10)S9)C%11=NSN=C%118)C%12=NSN=C7%12)S6)S5)=C%13)=C%13C%14(C%15=CC=C(CCCCCCCC)C=C%15)C%16=CC=C(CCCCCCCC)C=C%16)=C%14C=C4%17)=C%17S1
|
280 |
NT812
|
S112
| 10.33 | 10.18 | 0.72 | 19.09 | 0.729 | 118.9 |
56.6
|
2.10
| 1,135 | 5.29 | 3.4 | 1.4 |
CC1=CC(CC(CCCCCCCCCC)CCCCCCCC)=C(C2=CC(SC(C3=C(CC(CCCCCCCCCC)CCCCCCCC)C=C(C4=CC5=C(C=C(C)C6=NSN=C65)C7=NSN=C47)S3)=C8)=C8S2)S1
|
281 |
NT1014
|
S112
| 3.03 | 2.93 | 0.77 | 7.25 | 0.529 | 165.5 |
59.1
|
2.80
| 1,247 | 5.29 | 3.4 | 1.4 |
CC1=CC(CC(CCCCCCCCCC)CCCCCCCCCCCC)=C(C2=CC(SC(C3=C(CC(CCCCCCCCCC)CCCCCCCCCCCC)C=C(C4=CC5=C(C=C(C)C6=NSN=C65)C7=NSN=C47)S3)=C8)=C8S2)S1
|
282 |
PÉøNDTDTNT
|
S113
| 8.01 | 8.01 | 0.8 | 15.55 | 0.644 | 86.4 |
67.3
|
1.30
| 1,459 | 5.4 | 3.64 | 1.58 |
CC(S1)=C(CC(CCCCCCCC)CCCCCC)C=C1C(C2=NSN=C23)=CC4=C3C=C(C5=CC(C[C@H](CCCCCC)CCCCCCCC)=C(C6=CC7=C(C(C(CCCCCCCCCCCC)=CC8=C9SC(C)=C8)=C9C(CCCCCCCCCCCC)=C7)S6)S5)C%10=NSN=C%104
|
283 |
PÉ¿NDTDTNT
|
S113
| 3.6 | 3.6 | 0.8 | 8.41 | 0.535 | 60.5 |
28.3
|
2.10
| 1,459 | 5.46 | 3.64 | 1.65 |
CC(S1)=C(CC(CCCCCCCC)CCCCCC)C=C1C(C2=NSN=C23)=CC4=C3C=C(C5=CC(C[C@H](CCCCCC)CCCCCCCC)=C(C6=CC7=C(C=C(CCCCCCCCCCCC)C8=C7C(CCCCCCCCCCCC)=CC9=C8C=C(C)S9)S6)S5)C%10=NSN=C%104
|
284 |
poly(CR-TPA)
|
S114
| 2.15 | 2.15 | 0.79 | 6.87 | 0.4 | 15.6 |
9.8
|
1.60
| 611 | 5.55 | 2.6 | 1.8 |
CC1=CC=C(N(C2=CC=C(C3=CC(C4=NSN=C4C(C)=C5)=C5C6=NSN=C63)C=C2)C7=CC=C(CCCCCCCC)C=C7)C=C1
|
285 |
poly(NTD-TPA)
|
S114
| 1.52 | 1.52 | 0.76 | 6.02 | 0.33 | 8.2 |
5.9
|
1.50
| 627 | 5.4 | 3.37 | 2.03 |
CC1=CC=C(N(C2=CC=C(C3=CC(C(C=CC=C4)=C4C(C)=C5)=C5C6=C3C=CC=C6)C=C2)C7=CC=C(CCCCCCCC)C=C7)C=C1
|
286 |
BTT-TP
|
S115
| 0.35 | 0.35 | 0.993 | 0.764 | 0.468 | 16.4 |
10.3
|
1.59
| 1,372 | 5.6 | 3.85 | 1.75 |
CC1=CC2=C(C(SC(C3=C(CC(CCCCCCCC)CCCCCCCCCC)C=C(C4=CN=C(C5=CC(CC(CCCCCCCC)CCCCCCCCCC)=C(C)S5)C6=NSN=C64)S3)=C7)=C7C8=C2SC(C(CCCCCCCC)CCCCCCCC)=C8)S1
|
287 |
BTT-FT
|
S115
| 1.01 | 1.01 | 0.919 | 2.04 | 0.54 | 24.8 |
20.0
|
1.24
| 1,407 | 5.52 | 3.74 | 1.78 |
CC1=CC2=C(C(SC(C3=C(CC(CCCCCCCC)CCCCCCCCCC)C=C(C4=C(F)C(F)=C(C5=CC(CC(CCCCCCCC)CCCCCCCCCC)=C(C)S5)C6=NSN=C64)S3)=C7)=C7C8=C2SC(C(CCCCCCCC)CCCCCCCC)=C8)S1
|
288 |
BTT-NTz
|
S115
| 2.73 | 2.73 | 0.755 | 5.98 | 0.605 | 62.7 |
39.9
|
1.57
| 2,091 | 5.41 | 3.73 | 1.68 |
CC1=C(CC(CCCCCCCCCCCC)CCCCCCCCCC)C=C(S1)C(C2=NSN=C23)=CC4=C3C=C(C5=NSN=C54)C(S6)=CC(CC(CCCCCCCCCC)CCCCCCCCCCCC)=C6C7=CC(CCCCCCCCCCCC)=C(S7)C8=CC(C9=C%10SC(C(CCCCCCCC)CCCCCCCC)=C9)=C(S8)C%11=C%10C=C(C%12=C(CCCCCCCCCCCC)C=C(C)S%12)S%11
|
289 |
PDCBT
|
S116
| 7.2 | 7 | 0.91 | 11 | 0.72 | 40.2 |
24.8
|
1.62
| 782 | 4.9 | 3 | 1.9 |
CC1=CC=C(C2=C(C(OCC(CCCCCC)CCCC)=O)C=C(C3=CC(C(OCC(CCCC)CCCCCC)=O)=C(C4=CC=C(C)S4)S3)S2)S1
|
290 |
rr-PTB7-Th
|
S117
| 7.04 | 6.96 | 0.78 | 15.35 | 0.583 | 89.1 |
35.8
|
2.49
| 1,807 | 5.2 | 3.68 | 1.61 |
CC1=C(C(F)=C(C(OCC(CC)CCCC)=O)S2)C2=C(C3=CC4=C(C(C5=CC=C(CC(CC)CCCC)S5)=C(C=C(C6=C7C(C(F)=C(C(OCC(CCCC)CC)=O)S7)=C(C8=CC9=C(C(C%10=CC=C(CC(CCCC)CC)S%10)=C(C=C(C)S%11)C%11=C9C%12=CC=C(CC(CCCC)CC)S%12)S8)S6)S%13)C%13=C4C%14=CC=C(CC(CC)CCCC)S%14)S3)S1
|
291 |
rr-PTBS
|
S117
| 10.31 | 10.19 | 0.82 | 19.63 | 0.633 | 103 |
40.7
|
2.53
| 1,871 | 5.22 | 3.84 | 1.58 |
CC1=C(C(F)=C(C(OCC(CC)CCCC)=O)S2)C2=C(C3=CC4=C(C(C5=CC=C(CC(CC)CCCC)S5)=C(C=C(C6=C7C(C(F)=C(C(OCC(CCCC)CC)=O)S7)=C(C8=CC9=C(C(C%10=CC=C(SCC(CCCC)CC)S%10)=C(C=C(C)S%11)C%11=C9C%12=CC=C(SCC(CCCC)CC)S%12)S8)S6)S%13)C%13=C4C%14=CC=C(CC(CC)CCCC)S%14)S3)S1
|
292 |
P3TI
|
S118
| 6.3 | 6.3 | 0.7 | 13.1 | 0.69 | 211.7 |
73.0
|
2.90
| 1,209 | 5.82 | 3.83 | 1.5 |
CC1=CC(CCCCCCCC)=C(C2=CC=C(C3=C(CCCCCCCC)C=C(C4=CC=C(/C(C(N5CC(CCCCCCCC)CCCCCC)=O)=C6C(N(CC(CCCCCCCC)CCCCCC)C7=C\6C=CC(C)=C7)=O)C5=C4)S3)S2)S1
|
293 |
O-PBDT
|
S119
| 1.56 | 1.56 | 0.83 | 4.18 | 0.45 | 32.3 |
10.9
|
2.96
| 474 | 5.31 | 2.94 | 2.21 |
CC1=CC2=C(C(OCC(CCCC)CC)=C(C=C(C)S3)C3=C2OCC(CCCC)CC)S1
|
294 |
SO-PBDT
|
S119
| 1.73 | 1.73 | 0.91 | 4.4 | 0.43 | 27.7 |
9.3
|
2.98
| 950 | 5.36 | 3.11 | 2.03 |
CC(S1)=CC2=C1C(SCC(CCCC)CC)=C(C=C(C3=CC4=C(C(OCC(CC)CCCC)=C(C=C(C)S5)C5=C4OCC(CCCC)CC)S3)S6)C6=C2SCC(CCCC)CC
|
295 |
S-PBDT
|
S119
| 4 | 4 | 0.99 | 7.66 | 0.53 | 61.3 |
16.1
|
3.81
| 506 | 5.41 | 3.26 | 2.07 |
CC1=CC2=C(C(SCC(CCCC)CC)=C(C=C(C)S3)C3=C2SCC(CCCC)CC)S1
|
296 |
PBDTT
|
S120
| 6.12 | 6.12 | 0.93 | 11.95 | 0.55 | 49.7 |
18.7
|
2.70
| 606 | 5.44 | 3.46 | 2.13 |
CC1=CC2=C(C(C3=CC=C(CC(CCCC)CC)S3)=C(C=C(C)S4)C4=C2C5=CC=C(CC(CCCC)CC)S5)S1
|
297 |
P3HDTTT
|
S121
| 3.4 | 3.4 | 0.82 | 6.33 | 0.66 | 18.9 |
10.5
|
1.80
| 500 | 5.3 | 3.4 | 1.9 |
CC1=CC(CC(CCCCCCCC)CCCCCC)=C(C2=CC=C(C3=CC=C(C)S3)S2)S1
|
298 |
PT-C1
|
S122
| 1.69 | 1.69 | 0.81 | 5.31 | 0.392 | 6.9 |
4.3
|
1.62
| 350 | 5.15 | 2.96 | 1.92 |
CC1=CC(C(OCC(CCCC)CC)=O)=C(C2=CC=C(C)S2)S1
|
299 |
PT-C2
|
S122
| 2.14 | 2.14 | 0.81 | 5.44 | 0.484 | 5.6 |
3.2
|
1.75
| 432 | 5.11 | 2.95 | 1.89 |
CC1=CC(C(OCC(CCCC)CC)=O)=C(C2=CC=C(S2)C3=CC=C(C)S3)S1
|
300 |
PT-C3
|
S122
| 3.25 | 3.25 | 0.77 | 7.22 | 0.584 | 113.4 |
69.4
|
1.63
| 544 | 5.1 | 2.98 | 1.91 |
CC1=CC(C(OCC(CCCCCCCC)CCCCCC)=O)=C(C2=CC=C(C3=CC=C(C)S3)S2)S1
|
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