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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