0 B9R0.2 CCCCCC#CC(C)O SC-21588 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CCCCCCCC(=N)N SC-40677 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 CCCCCCCC(=O)[O-] SC-18483 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CCCCCCCC(=O)[O-] SC-26042 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 CCCCCCCC(=O)[O-] SC-52189 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 CCCCCCCC(=O)[O-] SC-79959 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 CCCCOCCC(=N)N SC-42275 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 N=C(N)CCCCCCCl SC-38531 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 NCCCCCCC(=O)O SC-52825 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.4 C=CCCCCCCCl SC-30488 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 CCCCCCCCBr SC-19080 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.4 CCCCCCCCCl SC-65214 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.4 CCCCCCCCI SC-74556 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.4 CCCCCCCCO SC-19079 [1,0,0,0,0,0|0,0,0]=1 14 B8R0.4 CCCCCCCNC SC-58244 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.4 N#CCCCCCCBr SC-77029 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 NCCCCCCCBr SC-40056 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 NCCCCCCCCl SC-38783 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 OCCCNCCCO SC-85694 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.7 CC(C)CCCCCBr SC-22592 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.7 CC(C)CCCCCO SC-51101 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.4 CCCCCCCCC(=N)N SC-40470 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.4 CCCCOCCOC(C)=O SC-19073 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.4 NCCCCCCCC(=O)O SC-19183 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.74 CCCCCCOC(=O)CN SC-62344 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.10 CCCC1CC(=O)CCN1 SC-35053 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.10 CCCC1CC(=O)CCN1 SC-36297 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.10 N#CCN1CCCC(O)C1 SC-41899 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.10 NCCN1CCCC(F)C1 SC-30187 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.10 NCCN1CCCC(O)C1 SC-41472 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.10 OC1CCCN(CCCl)C1 SC-39845 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.16 CNCCC1CCN(C)C1 SC-30182 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.16 N#CCCN1CCC(O)C1 SC-42127 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.16 N#CCCN1CC[C@H](O)C1 SC-39555 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.16 OC1CCN(CCCCl)C1 SC-41570 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.18 C=C(C)CC1CCCNC1 SC-36238 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.18 CC(C)CC1CCCNC1 SC-36189 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.18 O=C(O)CC1CCCCC1 SC-17590 [0,0,0,1,0,0|1,0,1]=3 38 B10R1.18 O=C(O)CC1CCCCN1 SC-62571 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.18 O=C(O)C[C@@H]1CCCCN1 SC-88036 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.24 N#CCCCN1CC(O)C1 SC-39380 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.24 NCCCCN1CC(O)C1 SC-39427 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.24 OC1CN(CCCCCl)C1 SC-39745 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N SC-52724 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.61 CN1CCCCC1C(=O)O SC-68670 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.61 O=C(O)C1CCCCC1O SC-22272 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.127 CC(C)CCOC1CNC1 SC-36547 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.348 CC(C)N1CCCNCC1 SC-35116 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.348 N=C(N)C1CCCCCC1 SC-40467 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.348 O=C(Cl)C1CCCCCC1 SC-73995 [0,0,0,1,0,0|1,0,2]=4 50 B7R0.1 CCCCCCCBr SC-05921 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.1 CCCCSCCN SC-38559 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 CCCSSCCC SC-88855 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.1 NCCCCCCBr SC-40179 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.1 OCCCCCCCl SC-25628 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.1 OCCCOCCCl SC-50537 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.1 SCCCCCCS SC-15339 [2,0,0,0,0,0|1,1,0]=4 57 B7R0.4 CCCCCC(C)O SC-81258 [2,0,0,0,0,0|0,0,0]=2 58 B9R0.45 CCCCC#CCCCCl SC-62360 [1,1,0,0,0,0|0,0,2]=4 59 B9R0.45 CCCCCC#CCCO SC-89425 [1,1,0,0,0,0|0,0,1]=3 60 B9R0.45 CCCCCCCNCC SC-28603 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.45 NCCCCCCCCBr SC-69472 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.45 NCCCCCCCCO SC-50444 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.45 NCCCCNCCCN SC-69371 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.45 OCCOCCOCCO SC-79003 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.38 CCCCCCP(=O)(O)O SC-22196 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.2 CCCCCCC(C)OC(C)=S SC-52679 [0,2,0,0,0,0|0,1,1]=4 68 B11R0.42 CCCCCCCC(C)C(=O)O SC-50331 [0,2,0,0,0,0|0,0,0]=2 69 B11R0.148 CCCCCCCCCC(C)=S SC-42170 [0,2,0,0,0,0|0,1,1]=4 70 B11R0.148 CCCCCCCCCC(C)C SC-87999 [0,2,0,0,0,0|1,0,0]=3 71 B11R0.148 CCCCCCCCOC(C)=O SC-78773 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.159 CCCCCCCC[N+](C)(C)C SC-21394 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.76 CCCCCCC(NC)C(=O)O SC-26576 [0,2,0,0,0,0|1,0,1]=4 74 B11R0.125 CCCCCCC(C)(C)C(=O)O SC-50328 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.5 N[C@@H]1CCCCC[C@H]1N SC-32905 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 BrCCC1CCCCC1 SC-20104 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.8 ClCCC1CCCCN1 SC-42081 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 ClCCN1CCCCC1 SC-02214 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 N#CCC1CCCCC1 SC-40063 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.8 NCCC1CCOCC1 SC-66190 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 NCCN1CCCCC1 SC-47028 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 OCCN1CCCCC1 SC-69188 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 OCCN1CCSCC1 SC-13479 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.12 NNCCC1CCCC1 SC-59967 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.15 CC1CCCCC1NN SC-58984 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.15 CN1CCCCC1CO SC-02380 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.33 CN1CCCC1CCO SC-77241 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.89 CCC1CCCCCN1 SC-25511 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.89 CCN1CCCNCC1 SC-48360 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.89 NCC1CCCCCC1 SC-44634 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.89 NNC1CCCCCC1 SC-38703 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.89 NNC1CCCCCC1 SC-59846 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.89 O=CC1CCCCCC1 SC-59538 [1,0,0,1,0,0|0,0,2]=4 94 B9R1.89 OCC1CCC=CCC1 SC-60823 [1,0,0,1,0,0|0,0,2]=4 95 B9R1.89 OCC1CCCCCC1 SC-12449 [1,0,0,1,0,0|0,0,0]=2 96 B9R1.2 CCC1CNCC(C)N1 SC-29366 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.2 NCC1CCCC(N)C1 SC-66231 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.2 OC1CCCN(CCl)C1 SC-41327 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.6 CC(=O)C1CCCCC1 SC-28527 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.6 CC(O)C1CCOCC1 SC-88341 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.7 CCCC1CCC(=O)O1 SC-52458 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.7 OC1CCN(CCCl)C1 SC-42044 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.7 O[C@@H]1CCN(CCCl)C1 SC-41941 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.9 OC1CN(CCCCl)C1 SC-39288 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.13 CC(C)CC1CCCN1 SC-29304 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.13 O=C(O)CC1CCCC1 SC-65869 [1,0,0,1,0,0|1,0,1]=4 107 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O SC-18117 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.166 CC1CCC(C(C)C)C(O)C1 SC-54016 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.166 CC1CCC(C(C)C)C(O)C1 SC-84251 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.172 O=C(O)CCCN1CCCC1 SC-47968 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.24 CCCCC1CC(=O)CCN1 SC-35261 [0,1,0,1,0,0|0,0,2]=4 112 B11R1.24 CNCCC1CCCN(C)C1 SC-29364 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.24 N#CCCN1CCCC(O)C1 SC-39481 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.24 OC1CCCN(CCCCl)C1 SC-39480 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.27 N#CCCCN1CCC(O)C1 SC-42173 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.27 N#CCCCN1CC[C@@H](O)C1 SC-42045 [0,1,0,1,0,0|1,0,1]=4 117 B11R1.27 N#CCCCN1CC[C@H](O)C1 SC-39096 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.27 OC1CCN(CCCCCl)C1 SC-41612 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.27 O[C@H]1CCN(CCCCCl)C1 SC-42174 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.78 N#CCCCCN1CC(O)C1 SC-39477 [0,1,0,1,0,0|1,0,1]=4 121 B11R1.91 O=C(O)CCC1CCCNC1 SC-30960 [0,1,0,1,0,0|1,0,1]=4 122 B11R1.91 O=C(O)CCC1CCNCC1 SC-31217 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.706 O=C(O)C1CCCCCCC1 SC-38194 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.742 O=C(O)CN1CCCCCC1 SC-38825 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.77 NC(CC(=O)O)C1CCCC1 SC-59229 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.77 O=C(O)CC(O)C1CCCC1 SC-22024 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.509 CC(C)(O)CN1CCNCC1 SC-69997 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.1 NCCCN1CCC(O)CC1 SC-41569 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.1 OC1CCN(CCCCl)CC1 SC-39792 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.40 CC(CC1CCCCC1)NN SC-38557 [0,1,0,1,0,0|1,0,0]=3 131 B11R1.40 N[C@H](CO)CC1CCCCC1 SC-26188 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.189 OCC1CCCN(CCCl)C1 SC-39100 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.36 CC(C(=O)O)C1CCCCC1 SC-68371 [0,1,0,1,0,0|1,0,1]=4 134 B11R1.36 NC(C(=O)O)C1CCCCC1 SC-26232 [0,1,0,1,0,0|1,0,1]=4 135 B11R2.352 OC1CCN(C2CNC2)C1 SC-70009 [0,0,0,2,0,0|2,0,0]=4 136 B11R2.845 CC(N)C1CC2CCC1C2 SC-69475 [0,0,0,2,0,0|1,0,0]=3 137 B11R2.432 CN1C2CCC1CC(N)C2 SC-52194 [0,0,0,2,0,0|2,0,0]=4