0 B11R0.191 C=COC(=O)C(CC)CCCC HR145542 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.16 C=COCC(CC)CCCC HR141191 [1,0,0,0,0,0|0,0,3]=4 2 B10R0.19 CCCCC(=O)C(=O)OCC HR137991 [1,0,0,0,0,0|1,0,1]=3 3 B10R0.19 CCCCC(Br)C(=O)OCC HR132160 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.19 CCOC(=O)C(N)CCCN HR134660 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.19 CCOC(=O)C(N)CCCN HR135936 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.19 CCOC(=O)C(N)CCSC HR133032 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.19 CCOC(=O)C(N)CCSC HR133874 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.33 CCCC(CN)C(=O)OCC HR110143 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.85 CCCCC(CC)C(=O)OC HR143546 [1,0,0,0,0,0|0,0,0]=1 10 B12R0.8 CCOC(=O)C(CC)C(=O)OCC HR137340 [0,1,0,0,0,0|1,0,1]=3 11 B12R0.351 CCCCN(CC)C(=O)SCCC HR139180 [0,1,0,0,0,0|1,1,0]=3 12 B12R1.16 CCOC(=O)C1CCC(=O)CC1 HR129074 [0,0,0,1,0,0|1,0,1]=3 13 B12R1.16 CCOC(=O)C1CCC(Br)CC1 HR111965 [0,0,0,1,0,0|1,0,0]=2 14 B12R1.16 CCOC(=O)C1CCC(N)CC1 HR142980 [0,0,0,1,0,0|1,0,0]=2 15 B12R1.16 CCOC(=O)C1CCC(O)CC1 HR123802 [0,0,0,1,0,0|1,0,0]=2 16 B12R1.16 CCOC(=O)C1CCN(C)CC1 HR124813 [0,0,0,1,0,0|1,0,0]=2 17 B12R1.16 CCOC(=O)N1CCC(=O)CC1 HR2430 [0,0,0,1,0,0|2,0,1]=4 18 B12R1.16 CCOC(=O)N1CCC(N)CC1 HR128044 [0,0,0,1,0,0|2,0,0]=3 19 B12R1.16 CCOC(=O)N1CCC(O)CC1 HR124776 [0,0,0,1,0,0|2,0,0]=3 20 B12R1.308 CCOC(=O)C1=C(N)CCCC1 HR107234 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.308 CCOC(=O)C1CCCCC1=O HR128576 [0,0,0,1,0,0|1,0,1]=3 22 B12R1.308 CCOC(=O)C1CCCCC1O HR108796 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.308 CCOC(=O)C1CCCCC1O HR147618 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.308 CCOC(=O)C1CCCCN1C HR137769 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.308 CCOC(=O)C1CCCNC1=O HR105490 [0,0,0,1,0,0|2,0,1]=4 26 B12R1.308 CCOC(=O)C1CCNCC1=O HR111437 [0,0,0,1,0,0|2,0,1]=4 27 B12R1.308 CCOC(=O)C1CNCCC1=O HR105637 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.308 CCOC(=O)C1CNCCC1=O HR108470 [0,0,0,1,0,0|2,0,1]=4 29 B12R1.308 CCOC(=O)C1CSCCC1=O HR116280 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.308 CCOC(=O)C1NCCCC1=O HR149232 [0,0,0,1,0,0|2,0,1]=4 31 B12R1.3395 CCOC(=O)C1(CN)CCCC1 HR146016 [0,0,0,1,0,0|1,0,0]=2 32 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [2,0,0,0,0,0|0,0,2]=4 33 B9R0.5 CCOC(=O)CCCCBr HR125890 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.5 CCOC(=O)CCCCN HR148504 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.5 CCOC(=O)COCCCl HR134831 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.5 CCOCCC(=O)OCC HR122912 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [2,0,0,0,0,0|0,0,2]=4 38 B9R0.8 CCCCC(Br)C(=O)OC HR132410 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.8 COC(=O)C(Br)CCCBr HR129039 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.8 COC(=O)C(N)CCCN HR136754 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.8 COC(=O)C(N)CCSC HR131630 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.8 COC(=O)C(N)CCSC HR144422 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.35 C=CCC(C)C(=O)OCC HR139572 [2,0,0,0,0,0|0,0,2]=4 44 B9R0.35 CCCC(=O)C(=O)OCC HR137737 [2,0,0,0,0,0|1,0,1]=4 45 B9R0.35 CCCC(=O)C(O)CCC HR106180 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.35 CCCC(Br)C(=O)OCC HR135641 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.35 CCCC(C)C(=O)OCC HR130749 [2,0,0,0,0,0|0,0,0]=2 48 B9R0.35 CCCC(N)C(=O)OCC HR128528 [2,0,0,0,0,0|1,0,0]=3 49 B9R0.35 CCOC(=O)C(Br)CCBr HR138648 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.35 CCOC(=O)C(Cl)OCC HR113792 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.35 C\C=C\C(C)C(=O)OCC HR100631 [2,0,0,0,0,0|0,0,2]=4 52 B9R0.37 CCOC(=O)C(C#N)CC HR104781 [2,0,0,0,0,0|1,0,1]=4 53 B9R0.37 CCOC(=O)C(CO)CO HR117038 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.13 CCCCC(CC)C(=O)Cl HR127161 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.13 CCCCC(CC)C(=O)O HR136822 [2,0,0,0,0,0|0,0,0]=2 56 B9R0.13 CCCCC(CC)C(=O)[O-] HR123660 [2,0,0,0,0,0|0,0,1]=3 57 B9R0.13 CCCCC(CC)C(=O)[O-] HR124197 [2,0,0,0,0,0|0,0,1]=3 58 B9R0.13 CCCCC(CC)C(=O)[O-] HR125577 [2,0,0,0,0,0|0,0,1]=3 59 B9R0.13 CCCCC(CC)C(=O)[O-] HR127819 [2,0,0,0,0,0|0,0,1]=3 60 B9R0.13 CCCCC(CC)C(=O)[O-] HR128285 [2,0,0,0,0,0|0,0,1]=3 61 B9R0.13 CCCCC(CC)C(=O)[O-] HR131557 [2,0,0,0,0,0|0,0,1]=3 62 B9R0.13 CCCCC(CC)C(=O)[O-] HR131824 [2,0,0,0,0,0|0,0,1]=3 63 B9R0.13 CCCCC(CO)C(=O)O HR145751 [2,0,0,0,0,0|1,0,0]=3 64 B11R0.164 CCCCC(CC)COC(C)=O HR127933 [1,1,0,0,0,0|0,0,2]=4 65 B11R0.43 CCOC(=O)C(C)NC(=O)CC HR105895 [1,1,0,0,0,0|1,0,1]=4 66 B11R0.155 CCCCCC(=O)C(=O)OCC HR115198 [1,1,0,0,0,0|1,0,1]=4 67 B11R0.155 CCCCCC(Br)C(=O)OCC HR101626 [1,1,0,0,0,0|1,0,0]=3 68 B11R0.155 CCOC(=O)C(N)CCCCN HR136498 [1,1,0,0,0,0|1,0,0]=3 69 B11R0.177 CCOC(=O)C(C)C(=O)OCC HR138108 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.247 CCCCC(F)(F)C(=O)OCC HR118709 [1,1,0,0,0,0|1,0,0]=3 71 B11R0.61 CCOC(=O)C(OCC)OCC HR131766 [1,1,0,0,0,0|1,0,0]=3 72 B11R0.61 CCOC(OCC)[P+](=O)OCC HR143191 [1,1,0,0,0,0|2,0,0]=4 73 B13R0.753 CCOC(=O)C(C(=O)OCC)C(C)C HR126853 [0,2,0,0,0,0|1,0,1]=4 74 B13R0.1176 CCCC(C(=O)OCC)C(=O)OCC HR12380 [0,2,0,0,0,0|1,0,1]=4 75 B13R0.1176 CCOC(=O)C(OCC)C(=O)OCC HR101936 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.15 CCOC(=O)C1CC(O)CN1 HR140441 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.15 CCOC(=O)C1CCC(=O)C1 HR111695 [1,0,0,1,0,0|1,0,1]=4 78 B11R1.16 CCOC(=O)C1CCCCC1 HR127700 [1,0,0,1,0,0|0,0,0]=2 79 B11R1.16 CCOC(=O)C1CCCCN1 HR141821 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.16 CCOC(=O)C1CCCCN1 HR7720 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.16 CCOC(=O)C1CCCNC1 HR122459 [1,0,0,1,0,0|1,0,0]=3 82 B11R1.16 CCOC(=O)C1CCCNC1 HR122723 [1,0,0,1,0,0|1,0,0]=3 83 B11R1.16 CCOC(=O)C1CCCNC1 HR125333 [1,0,0,1,0,0|1,0,0]=3 84 B11R1.16 CCOC(=O)C1CCCNC1 HR130346 [1,0,0,1,0,0|1,0,0]=3 85 B11R1.16 CCOC(=O)C1CCCNC1 HR138549 [1,0,0,1,0,0|1,0,0]=3 86 B11R1.16 CCOC(=O)C1CCNCC1 HR114915 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.16 CCOC(=O)C1CCNCC1 HR150956 [1,0,0,1,0,0|1,0,0]=3 88 B11R1.16 CCOC(=O)C1CCNCC1 IBCQ00402 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.16 CCOC(=O)C1CNCCO1 HR104761 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.16 CCOC(=O)C1CSCCN1 HR109377 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.16 CCOC(=O)C1SCCCS1 HR138540 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.16 CCOC(=O)N1CCNCC1 HR126170 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.381 CCN1CCCCC(N)C1=O HR101610 [1,0,0,1,0,0|2,0,0]=4 94 B11R1.819 CCOC(=O)C1(N)CCCC1 HR146183 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.819 CCOC(=O)C1(N)CCCC1 HR146184 [1,0,0,1,0,0|1,0,0]=3 96 B11R1.819 CCOC(=O)C1(O)CCCC1 HR117731 [1,0,0,1,0,0|1,0,0]=3 97 B11R1.199 CCOC(=O)C1CCCC1=O HR136283 [1,0,0,1,0,0|1,0,1]=4 98 B11R1.199 CCOC(=O)C1CCCC1O HR108336 [1,0,0,1,0,0|1,0,0]=3 99 B11R1.22 COC(=O)C1CCC(=O)CC1 HR111067 [1,0,0,1,0,0|1,0,1]=4 100 B11R1.22 COC(=O)C1CCC(Br)CC1 HR111645 [1,0,0,1,0,0|1,0,0]=3 101 B11R1.22 COC(=O)C1CCC(N)CC1 HR112357 [1,0,0,1,0,0|1,0,0]=3 102 B11R1.22 COC(=O)C1CCC(O)CC1 HR108607 [1,0,0,1,0,0|1,0,0]=3 103 B11R1.22 COC(=O)C1CCN(C)CC1 HR130934 [1,0,0,1,0,0|1,0,0]=3 104 B11R1.222 COC(=O)C1CCCCC1=O HR113147 [1,0,0,1,0,0|1,0,1]=4 105 B11R1.222 COC(=O)C1CCCCC1N HR114332 [1,0,0,1,0,0|1,0,0]=3 106 B11R1.222 COC(=O)C1CCCCN1C HR138808 [1,0,0,1,0,0|1,0,0]=3 107 B11R1.222 COC(=O)C1CNCCC1F HR150501 [1,0,0,1,0,0|2,0,0]=4 108 B11R1.852 COC(=O)C1CCCCCN1 HR102686 [1,0,0,1,0,0|1,0,0]=3 109 B11R1.852 COC(=O)C1CCCCCN1 HR108569 [1,0,0,1,0,0|1,0,0]=3 110 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 HR148774 [0,0,0,1,0,1|1,0,1]=4 111 B13R1.19 CCOC(=O)CC1CCN(C)CC1 HR149442 [0,0,0,1,0,1|1,0,0]=3 112 B13R1.470 CCOC(=O)CC1CCCCC1=O HR124642 [0,0,0,1,0,1|1,0,1]=4 113 B13R1.449 CCOC(=O)C(C#N)C1CCCC1 HR116828 [0,1,0,1,0,0|1,0,1]=4 114 B13R1.463 CCOC(=O)C1CCCCCC1=O HR118679 [0,1,0,1,0,0|0,0,1]=3 115 B13R1.1549 CCOC(=O)C1(C(=O)OCC)CC1 HR131841 [0,1,0,1,0,0|1,0,1]=4 116 B13R1.1512 CCOC(=O)C1CCC(F)(F)CC1 HR113801 [0,1,0,1,0,0|1,0,0]=3 117 B13R1.446 CCOC(=O)C1CN(C)CCN1C HR111539 [0,1,0,1,0,0|2,0,0]=4 118 B13R1.132 CC(C)OC(=O)N1CCC(O)CC1 HR130065 [0,1,0,1,0,0|2,0,0]=4 119 B13R1.452 CCOC(=O)N1CCC(C#N)CC1 HR109993 [0,1,0,1,0,0|1,0,1]=4 120 B13R1.4472 CCOC(=O)C1(C#N)CCOCC1 HR117825 [0,1,0,1,0,0|1,0,1]=4 121 B13R1.4446 CCOC(=O)C1(C)CCC(=O)CC1 HR107729 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 HR109660 [0,0,0,2,0,0|1,0,1]=4 123 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 HR130223 [0,0,0,2,0,0|1,0,1]=4 124 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 HR140830 [0,0,0,2,0,0|1,0,1]=4 125 B13R2.14797 CCOC(=O)C12CCN(CC1)C2 HR30202 [0,0,0,2,0,0|1,0,0]=3 126 B13R2.856 CCOC(=O)C1CC2CCN1C2 HR149462 [0,0,0,2,0,0|1,0,0]=3