0 B7R0.1 C#CCCCCCN CS-0864774 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C=CCCCCCO CS-0185704 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 COCCOCCO CS-0116091 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 [N-]=[N+]=NCCCCBr CS-0614388 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.6 BrCCNCCBr CS-D1601 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 C#CCCCCBr CS-0248001 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 C#CCCNCC CS-0891938 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 CCCCCCO CS-0076046 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.6 NCCOCCN CS-W006284 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 NCCOCCS CS-0115806 [1,0,0,0,0,0|2,1,0]=4 10 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|0,0,2]=3 11 B8R0.4 C#CCCCCCCC CS-0204456 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.4 C#CCCCCCCN CS-0110134 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.4 C=CCCCCCCCl CS-0158000 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.4 CC\C=C/CCCCO CS-0153943 [0,1,0,0,0,0|0,0,3]=4 15 B8R0.4 COCCOCCON CS-0114359 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.4 NCCCNCCCCl CS-0885982 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.4 [N-]=[N+]=NCCCCCN CS-0567250 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.6 OCCCCC(O)CO CS-W013379 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.7 CCCC\C=C\C(=O)O CS-0161412 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.7 COCCOCC(=O)O CS-0527874 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.7 NCCCNCC(=O)O CS-0119868 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.7 NCCNCCC(=O)[O-] CS-0162521 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.7 NCCOCCC(=O)O CS-0114519 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 CCC1CNCCO1 CS-0184012 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 CC[C@H]1CNCCN1 CS-W023213 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 CC[C@H]1COCCN1 CS-0146947 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 FC[C@H]1CCCNC1 CS-0435451 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 N#C[C@H]1CCCCN1 CS-0054004 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.2 NC[C@@H]1CCCNC1 CS-0169043 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.2 NC[C@H]1CCCNC1 CS-0169042 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 NC[C@H]1CCCNC1 CS-0173371 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,0,0|0,0,0]=1 35 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.8 C=CC[C@@H]1CCCN1 CS-0158619 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.8 COC[C@H]1CCNC1 CS-0053272 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.8 COC[C@H]1CCNC1 CS-0054797 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.8 NNCC1CCCC1 CS-0049621 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.8 OCCN1CCCC1 CS-W011235 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.10 COCCC1CNC1 CS-0238278 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.11 COC1CCCC1=O CS-0432948 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0183718 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0737895 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.11 N#CC1CSCC1=O CS-W016559 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.11 NCC1CCCC1O CS-0260689 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.11 NCC1CCCC1O CS-0459964 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.13 COC[C@H]1CC[C@@H]1N CS-0433333 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.13 COC[C@H]1CC[C@H]1N CS-0184248 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,0,0,1,0,0|1,0,0]=2 51 B8R1.36 C#CCCNC1CC1 CS-0835641 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.49 C1=CCCC=CCC1 CS-W007800 [0,0,0,1,0,0|1,0,2]=4 53 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.3 C=CCC[C@@H](O)CCl CS-0374305 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.3 CCCN[C@H](C)CO CS-0626374 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [1,1,0,0,0,0|0,0,1]=3 57 B7R0.4 CC(=O)CCCCO CS-0514254 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.4 CCCCCC(N)=O CS-0128758 [1,1,0,0,0,0|0,0,0]=2 59 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.4 NCCC[C@H](N)CC(=O)O CS-0539406 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.48 CCCC(=O)NCC(=O)O CS-0059624 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.48 CCC[C@@H](C)CCC(=O)O CS-0979123 [0,2,0,0,0,0|0,0,0]=2 64 B9R0.2 CC(=O)OCCCCCCl CS-0154996 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.2 NCCSSCCC(=O)O CS-0115369 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.45 C#CCCCCCCCN CS-0889063 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.45 C#CCCCCCCNC CS-0636077 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.45 CCCCC#CCCCCl CS-0363906 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.45 [N-]=[N+]=NCCCCCCN CS-0567259 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.46 COC(=O)CCOCCN CS-0926565 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.47 NCCSC[C@H](N)C(=O)O CS-0086292 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.47 [C@H](N)(CCCCN)C(=O)O CS-W015322 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.38 CCCCCCP(=O)(O)O CS-0313519 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.1 BrCC1=CCCC1 CS-0052832 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.1 BrC[C@@H]1CCCO1 CS-0310762 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 ClCC1CCCO1 CS-W011203 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.1 FCC1CCNC1 CS-0614521 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 NOC1CCCC1 CS-0634533 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 OCC1CCCS1 CS-0265065 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.3 C=C1CCNCC1 CS-0642791 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 CC1=NCCCC1 CS-1176015 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.3 NC1C=CCCC1 CS-0447132 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.3 NC1CCNCC1 CS-0069687 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 CN1CNCC1=O CS-0620292 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 O=C1NCCC1F CS-0467788 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 O[C@H]1CCC[C@H]1O CS-0132323 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.7 OCCOC1CC1 CS-0432950 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 CS-0128615 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.8 BrCCC1CCNCC1 CS-0105359 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.8 C#CCC1CCNCC1 CS-0513843 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.8 CCCC1CCCCN1 CS-0152399 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.8 CNCC1CCCCC1 CS-0447606 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.8 N#CCC1CCNCC1 CS-W001451 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.8 NCCC1CCCNC1 CS-0106330 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.8 NCCC1CCOCC1 CS-W021464 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.15 CC1CNCCC1CO CS-0895938 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.15 CN1CCCCC1CCl CS-0072978 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.15 CS[C@@H]1CCCC[C@H]1O CS-0626360 [0,1,0,1,0,0|0,0,2]=4 107 B9R1.15 O=C1CCCC=C1CO CS-0883202 [0,1,0,1,0,0|0,0,2]=4 108 B9R1.15 O=C1NCCCC1CO CS-0437764 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.33 NCCN1CCCC1=O CS-0054196 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.50 OC1CCC=CCCC1 CS-0116034 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.50 OC1CCCCCCC1 CS-0204887 [0,1,0,1,0,0|0,0,2]=4 113 B9R1.5 CN1CCCCCC1=O CS-0151090 [0,1,0,1,0,0|0,0,0]=2 114 B9R1.14 CCN1CCC[C@@H]1CO CS-0490845 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.89 COC1CCCNCC1 CS-0050816 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|0,0,2]=4 117 B9R1.1 C#CC1CCC(N)CC1 CS-0181354 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.1 C#CC1CCC(N)CC1 CS-0376251 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.1 CO[C@H]1CC[C@H](N)CC1 CS-0047753 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 CS-0049694 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.3 CC1CCCC(N)C1C CS-0239101 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.11 CCC(C)C1CCNC1 CS-WAA0217 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.11 NC(CO)C1CCCC1 CS-0215067 [0,1,0,1,0,0|0,0,2]=4 124 B9R1.202 CC1(CO)CCNC1=O CS-0371485 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.6 CC(=O)C1CCCCO1 CS-0863898 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.6 CC(=O)C1CCCOC1 CS-0308732 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.6 C[C@@H](N)C1CCCCC1 CS-0136581 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 C[C@H](N)C1CCCCC1 CS-0343285 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.13 C[C@@H](N)CC1CCCC1 CS-0904354 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.13 NC(=O)C[C@H]1CCCN1 CS-0757957 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.40 O=C1CCNCC1(F)F CS-0058731 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.41 CN1CSC[C@H]1C(=O)O CS-0714189 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.148 O=S1(=O)CCCNCC1 CS-0467727 [0,1,0,1,0,0|2,0,0]=4 135 B9R2.174 C1CCC2(CC2)NC1 CS-0090845 [0,0,0,2,0,0|1,0,1]=4 136 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 CS-1009716 [0,0,0,2,0,0|2,0,0]=4 137 B9R2.140 O=C1CCC12CCC2 CS-0054569 [0,0,0,2,0,0|0,0,0]=2