0 B8R0.4 C#CCCCCCCC CS-0204456 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.4 C#CCCCCCCN CS-0110134 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 C=CCCCCCCCl CS-0158000 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 CC\C=C/CCCCO CS-0153943 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.4 COCCOCCON CS-0114359 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.4 NCCCNCCCCl CS-0885982 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.4 [N-]=[N+]=NCCCCCN CS-0567250 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 C#CCCCCCN CS-0864774 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 C=CCCCCCO CS-0185704 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.1 COCCOCCO CS-0116091 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 OCCSSCCO CS-0113483 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 CC(=O)OCCCCCCl CS-0154996 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.45 C#CCCCCCCCN CS-0889063 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.45 C#CCCCCCCNC CS-0636077 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.45 CCCCC#CCCCCl CS-0363906 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.45 OCCOCCOCCS CS-0109305 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.45 [N-]=[N+]=NCCCCCCN CS-0567259 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.5 CN1CCCCCC1=O CS-0151090 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.8 BrCCC1CCNCC1 CS-0105359 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 C#CCC1CCNCC1 CS-0513843 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.8 CCCC1CCCCN1 CS-0152399 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.8 CCOC1CCNCC1 CS-0206667 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 CNCC1CCCCC1 CS-0447606 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.8 COC[C@H]1CNCCO1 CS-0150647 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.8 ClCCN1CCSCC1 CS-0482200 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 N#CCC1CCNCC1 CS-W001451 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.8 NCCC1CCCNC1 CS-0106330 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.8 NCCC1CCOCC1 CS-W021464 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.8 OCCC1OCCCO1 CS-0590832 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.8 OCC[C@H]1CNCCN1 CS-0316584 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.14 CCN1CCC[C@@H]1CO CS-0490845 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.15 CC1CNCCC1CO CS-0895938 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.15 CN1CCCCC1CCl CS-0072978 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.15 CO[C@@H]1CCNC[C@@H]1F CS-0433765 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.15 CS[C@@H]1CCCC[C@H]1O CS-0626360 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.15 C[C@@H]1OCCN[C@H]1CO CS-0448905 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.15 O=C1NCCCC1CO CS-0437764 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.50 OC1CCC=CCCC1 CS-0116034 [0,0,0,1,0,0|0,0,2]=3 38 B9R1.50 OC1CCCCCCC1 CS-0204887 [0,0,0,1,0,0|0,0,0]=1 39 B9R1.89 COC1CCCNCC1 CS-0050816 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,0,0,1,0,0|1,0,0]=2 41 B6R0.6 CCCCCCO CS-0076046 [2,0,0,0,0,0|0,0,0]=2 42 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.1 CCOC(=O)CCCO CS-0539430 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.6 OCCCCC(O)CO CS-W013379 [1,1,0,0,0,0|1,0,0]=3 45 B10R0.4 C=CCCCCCC[C@@H](C)O CS-0047325 [0,2,0,0,0,0|0,0,1]=3 46 B10R0.4 CC(C)CCCCCCCO CS-0504294 [0,2,0,0,0,0|0,0,0]=2 47 B10R0.4 CC(C)CCCCCCCO CS-0647834 [0,2,0,0,0,0|0,0,0]=2 48 B10R0.6 CCCCCC(O)CC(=O)O CS-0059460 [0,2,0,0,0,0|0,0,1]=3 49 B10R0.6 CCCCC[C@H](O)CC(=O)O CS-0162037 [0,2,0,0,0,0|0,0,1]=3 50 B10R0.97 CC(C)CCCCCC(=O)O CS-0265355 [0,2,0,0,0,0|0,0,1]=3 51 B10R0.1 CCOC(=O)CCCCCN CS-W005831 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.1 CCOC(=O)COCCCO CS-0621207 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.108 CCCC(=O)OCC(O)CO CS-0331773 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.16 CCCCC(CO)CCCC CS-0827120 [0,2,0,0,0,0|1,0,0]=3 55 B10R0.71 BrCCOCCCOCCBr CS-0896024 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.71 C#CCCCCCCCCO CS-0119650 [0,2,0,0,0,0|0,0,0]=2 57 B10R0.71 CCCCCCCCCCC CS-0148678 [0,2,0,0,0,0|1,0,0]=3 58 B10R0.71 OCCCCCCOCCO CS-0040286 [0,2,0,0,0,0|0,0,0]=2 59 B10R0.71 OCCCCOCCCCCl CS-0641507 [0,2,0,0,0,0|0,0,0]=2 60 B10R0.71 OCCOCCCCCCCl CS-0046339 [0,2,0,0,0,0|0,0,0]=2 61 B10R0.62 CCCCCCC(C)(C)CO CS-0627148 [0,2,0,0,0,0|0,0,0]=2 62 B8R1.2 CCC1CNCCO1 CS-0184012 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.2 CC[C@H]1CNCCN1 CS-W023213 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 CC[C@H]1COCCN1 CS-0146947 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 FC[C@@H]1CNCCO1 CS-0566523 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 FC[C@H]1CCCNC1 CS-0435451 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.2 FC[C@H]1CNCCO1 CS-0566313 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.2 NC[C@@H]1CCCNC1 CS-0169043 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.2 NC[C@H]1CCCNC1 CS-0169042 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.2 NC[C@H]1CCCNC1 CS-0173371 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.2 OC[C@@H]1CNCCO1 CS-0020036 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,2]=4 74 B8R1.5 O[C@@H]1CCNC[C@H]1F CS-0368740 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 O[C@@H]1CNCC[C@@H]1F CS-0502796 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.8 COC[C@H]1CCNC1 CS-0053272 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.8 COC[C@H]1CCNC1 CS-0054797 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.8 NNCC1CCCC1 CS-0049621 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.8 OCCN1CCCC1 CS-W011235 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.10 COCCC1CNC1 CS-0238278 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0183718 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0737895 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.11 NCC1CCCC1O CS-0260689 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.11 NCC1CCCC1O CS-0459964 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.11 NC[C@H]1COC[C@@H]1O CS-0054588 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.11 N[C@H]1COC[C@H]1CO CS-0613627 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.13 COC[C@H]1CC[C@@H]1N CS-0433333 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.13 COC[C@H]1CC[C@H]1N CS-0184248 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.10 NC1CCCN(CCO)C1 CS-0619207 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.16 CN1CCC(NCCO)C1 CS-0704135 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 O=C(O)CC1CCSCC1 CS-0046003 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.38 OCC1CCNCC1(F)F CS-0053392 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.61 CC(C)C1CCCCC1O CS-0070118 [0,1,0,1,0,0|0,0,0]=2 94 B10R1.61 C[C@@H]1CNCC[C@@H]1C(=O)O CS-0502872 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O CS-0130674 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.64 CC1CCCC1CC(=O)O CS-0441552 [0,1,0,1,0,0|0,0,1]=3 97 B10R1.64 CC1OCCC1CC(=O)O CS-0882276 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.348 O=C(O)C1CCCOCC1 CS-0136868 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.19 O=C1CCCCCN1CO CS-0241684 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.21 OCCOCC1CCCO1 CS-0214427 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO CS-0527625 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.17 C#CCCC1CCCCC1 CS-0778075 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.17 ClCCCN1CCOCC1 CS-W016102 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.216 CCCC[N+]1(C)CCCC1 CS-0152433 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.7 O[C@H]1CCCCCC[C@H]1O CS-0160249 [0,1,0,1,0,0|0,0,0]=2 106 B10R1.1 CCOC1CCC(O)CC1 CS-0754423 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.15 N#CC(O)C1CCCCC1 CS-0236842 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.149 COC(=O)C1CCCC1O CS-0081054 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.149 COC(=O)[C@H]1CCC[C@H]1O CS-0506398 [0,1,0,1,0,0|1,0,1]=4 110 B10R2.62 NC1CC2CCC1CC2 CS-0146202 [0,0,0,2,0,0|1,0,0]=3 111 B10R2.484 C1CNCC2(C1)CCO2 CS-0000809 [0,0,0,2,0,0|1,0,0]=3 112 B10R2.32 [C@H]12CCCN1CC[C@@H]2N CS-0646639 [0,0,0,2,0,0|2,0,0]=4 113 B10R2.32 [C@H]12CC[C@@H](O)[C@H]1CNC2 CS-0029577 [0,0,0,2,0,0|1,0,0]=3 114 B10R2.99 OCC1CC2C=CC1C2 CS-0114684 [0,0,0,2,0,0|0,0,2]=4 115 B10R2.483 C1CNC2(C1)CCOC2 CS-0179354 [0,0,0,2,0,0|2,0,0]=4