0 B9R0.2 NC(=O)CCCCCCO AC4329 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 NCCCCCCCO D74762 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.7 NCCOCCC(=O)O C72750 [1,0,0,0,0,0|2,0,0]=3 3 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,1,0,0,0,0|0,0,1]=2 4 B10R0.4 O=C(O)COCCOCCO C70220 [0,1,0,0,0,0|2,0,0]=3 5 B10R0.4 [N-]=[N+]=NCCOCCC(=O)O C70444 [0,1,0,0,0,0|3,0,0]=4 6 B10R0.74 COC(=O)CCCCCCO W16829 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.18 C[C@H](O)CC1CCNCC1 D79799 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.300 CC1CNCCCC1(C)O 73166 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,1,0,0|1,0,0]=2 17 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [1,1,0,0,0,0|0,0,0]=2 18 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [1,1,0,0,0,0|0,0,0]=2 19 B11R0.148 CCCCCCCCC[N+](=O)[O-] AT10296 [0,2,0,0,0,0|1,0,1]=4 20 B11R0.148 CCCCCCC\C=C/C(=O)O D86947 [0,2,0,0,0,0|0,0,0]=2 21 B11R0.148 O=C(O)CCOCCOCCS C70431 [0,2,0,0,0,0|1,0,0]=3 22 B11R0.148 O=CCCCCCCCC(=O)O C74321 [0,2,0,0,0,0|0,0,0]=2 23 B11R0.176 O=C(O)CCCC[C@H](S)CCS 68441 [0,2,0,0,0,0|0,0,0]=2 24 B11R0.31 C[Si](C)(C)CCCCCC(=O)O A11084 [0,2,0,0,0,0|0,1,0]=3 25 B11R0.4 CCCCC\C=C\C(=O)OCC D75938 [0,2,0,0,0,0|0,0,2]=4 26 B11R0.4 CCOC(=O)CCCCCCCl AC9325 [0,2,0,0,0,0|1,0,0]=3 27 B9R1.5 CC1CNCCCC1O 73109 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.5 C[C@H]1CNCCCC1=O 73108 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.15 CN[C@H]1CCCCC1=O 79572 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.33 COC[C@H]1CCCC1=O 79670 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.90 CN1CCC[C@H]1\C=C\C(=O)O D76990 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.166 C[C@H]1CC(=O)CC[C@@H]1C(=O)O P18309 [0,1,0,1,0,0|0,0,1]=3 55 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.91 O=C(O)C#CC1CCCCC1 O10996 [0,1,0,1,0,0|0,0,1]=3 57 B11R1.91 O=C(O)CC[C@H]1CNCCO1 P19696 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.91 O=C(O)CC[C@H]1CNCCO1 P19716 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.271 CC(=O)OC[C@H]1CC[C@H]1CO AC9458 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.706 O=C(O)[C@@H]1CCC=CCCC1 D77101 [0,1,0,1,0,0|0,0,1]=3 61 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 Y11598 [0,1,0,1,0,0|0,0,0]=2 62 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 50017 [0,1,0,1,0,0|0,0,0]=2 63 B11R1.266 O=C(O)C1CCCC(CO)C1 P19364 [0,1,0,1,0,0|1,0,0]=3 64 B11R1.222 COC(=O)C1CCNCC1F P16241 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P17693 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79695 [0,1,0,1,0,0|1,0,0]=3 68 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79696 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C D79694 [0,1,0,1,0,0|1,0,0]=3 70 B11R1.177 CC1(C)OCCO[C@@H]1C(=O)O P18644 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.177 O=C(O)[C@H]1CNCCC1(F)F W15317 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O D96817 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.178 O=C(O)C1CCCC1C(=O)O C12142 [0,1,0,1,0,0|1,0,1]=4 74 B11R2.1478 O=C1CCCC2(CCC2)C1 W18293 [0,0,0,2,0,0|1,0,0]=3 75 B11R2.1478 O=C1CCNC2(CCC2)C1 F31207 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.1478 O=C1CNCC2(CCC2)N1 P13827 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.1478 O=C1COCC2(CCC2)N1 W15706 [0,0,0,2,0,0|2,0,0]=4 78 B11R2.1 O=C1CC[C@H]2CNCCN12 37768 [0,0,0,2,0,0|2,0,0]=4 79 B11R2.1 O=C1CC[C@H]2CNCCN12 P11138 [0,0,0,2,0,0|2,0,0]=4 80 B11R2.10 O=C1NC2CCNCC2O1 P14510 [0,0,0,2,0,0|2,0,0]=4 81 B11R2.748 O=C1CC[C@@]2(CCNC2)N1 38006 [0,0,0,2,0,0|2,0,0]=4 82 B11R2.703 O=C1CC2(CCCNC2)C1 D96593 [0,0,0,2,0,0|2,0,0]=4 83 B11R2.860 O=C(O)C[C@H]1[C@@H]2COC[C@@H]21 37971 [0,0,0,2,0,0|1,0,0]=3 84 B11R2.1824 O=C(O)C1C2CNCC1C2 P13834 [0,0,0,2,0,0|1,0,0]=3 85 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 P18292 [0,0,0,2,0,0|1,0,0]=3 86 B11R2.822 O=C(O)[C@H]1NC[C@H]2CC[C@H]21 P18187 [0,0,0,2,0,0|1,0,0]=3 87 B11R2.845 O=C(O)C1CC2CNC1C2 P18969 [0,0,0,2,0,0|1,0,0]=3 88 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CCN1C2 C12121 [0,0,0,2,0,0|1,0,0]=3 89 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 D86238 [0,0,0,2,0,0|1,0,0]=3 90 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 AT24389 [0,0,0,2,0,0|0,0,0]=2 91 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P12563 [0,0,0,2,0,0|1,0,0]=3 92 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P19062 [0,0,0,2,0,0|1,0,0]=3 93 B11R2.813 O=C(O)C12CC1CCCN2 P18665 [0,0,0,2,0,0|1,0,0]=3 94 B11R2.813 O=C(O)C12CNCCC1C2 91950 [0,0,0,2,0,0|1,0,0]=3 95 B11R2.1837 O=C(O)C1NCCC2CC21 P18662 [0,0,0,2,0,0|1,0,0]=3 96 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2C[C@@H]12 P18668 [0,0,0,2,0,0|1,0,0]=3 97 B11R2.141 O=C(O)C1CC12CCNC2 P11988 [0,0,0,2,0,0|1,0,0]=3 98 B11R2.141 O=C(O)C1CC12CCOC2 33426 [0,0,0,2,0,0|1,0,0]=3 99 B11R2.1869 O=C(O)[C@H]1CCC12CCC2 S10402 [0,0,0,2,0,0|0,0,0]=2 100 B11R2.1869 O=C(O)[C@H]1OCC12CNC2 D96711 [0,0,0,2,0,0|2,0,0]=4