0 B7R0.1 CNCCCCNC AC-7475 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 NCCCNCCBr AC-701 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 ClCCNCCCl AC-22676 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.6 ICCOCCI AC-33902 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.4 OCCCNCCCO AC-515 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.7 NCCCCCC(=O)O AC-035 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.2 BrCC1CCOCC1 AC-4220 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 CC[C@H]1CNCCN1 AC-11869 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 CNC1CCCNC1 AC-1189 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 COC1CCCNC1 AC-7886 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 N#C[C@@H]1CCCCN1 AC-10300 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 NCC1CCCCN1 AC-31100 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 NCC1COCCO1 AC-29687 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.2 NOC1CCCCO1 AC-4405 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.2 OCC1CCCCN1 AC-22477 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.2 OCC1CCCNC1 AC-22476 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 OCC1CCNCC1 AC-22475 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.2 OCC1CCOCC1 AC-26737 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.2 OCC1COCCN1 AC-3086 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 OC[C@@H]1COCCN1 AC-28902 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 OC[C@@H]1COCCO1 AC-29516 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.2 OC[C@H]1COCCO1 AC-29517 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.5 C[C@@H]1CCCC[C@@H]1N AC-29596 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.5 C[C@@H]1CNCCN1C AC-30559 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.5 C[C@H]1CCCC[C@H]1N AC-29595 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 C[C@H]1CNCCN1C AC-30521 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 NC1CCCCC1N AC-4689 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.5 NC1COCCC1O AC-31581 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-6142 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-2110 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-6758 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-7032 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 N[C@H]1CCCC[C@H]1O AC-6141 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.8 BrCCN1CCCC1 AC-17198 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.8 BrCCN1CCCC1 AC-17199 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.8 COC[C@@H]1CCCN1 AC-23477 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.8 COC[C@H]1CCCN1 AC-23478 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.8 ClCCN1CCCC1 AC-17196 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.8 ClCCN1CCCC1 AC-17197 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.8 ClCCN1CCCC1 AC-8320 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.8 OCCN1CCCC1 AC-18883 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.12 [C@@H]1(CN)CC[C@H]1CN AC-25018 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.22 CN1CCCNCC1 AC-9085 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.22 CN1CCCNCC1 AC-989 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.22 NC1CCCCNC1 AC-23372 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 NC1CCCNCC1 AC-4607 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.22 OC1CCCNCC1 AC-4606 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.22 OC1CCCNCC1 AC-9043 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.36 CCCNCC1CC1 AC-13077 [0,0,0,1,0,0|2,0,0]=3 51 B5R0.2 NCCCCN AC-4426 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 NCCCCO AC-034 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.3 COCO[C@@H](C)CO AC-6918 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.3 COCO[C@H](C)CO AC-6917 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.3 CSCC[C@H](N)CO AC-13954 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.4 NCCCCC(=O)O AC-6337 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.4 O=C(O)CCCCBr AC-1769 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.7 CCOC(=O)CCN AC-19163 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.2 CCCCCCCC(=O)[O-] AC-1296 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.2 NCCCCCCC(=O)O AC-27015 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.2 NCCCCCCC(=O)O AC-6968 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.45 NCCCCNCCCN AC-33945 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.45 OCCCCCCCCO AC-662 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.1 COC1CCNC1 AC-7890 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.1 CO[C@@H]1CCNC1 AC-29650 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 CO[C@H]1CCNC1 AC-29649 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.1 ClCC1CCCO1 AC-25685 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.1 O=CC1CCCO1 AC-22531 [1,0,0,1,0,0|0,0,2]=4 69 B7R1.1 OCC1CCNC1 AC-26851 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.1 OC[C@H]1CCCN1 AC-23551 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.1 OC[C@H]1CCNC1 AC-22424 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 BrC1CCNCC1 AC-23243 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 CC1CNCCO1 AC-9514 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 CC1COCCN1 AC-9513 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.3 C[C@@H]1CNCCN1 AC-4396 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 C[C@@H]1CNCCO1 AC-26735 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.3 C[C@@H]1CNCCO1 AC-26736 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 C[C@@H]1COCCN1 AC-22431 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 C[C@H]1CCCCN1 AC-15354 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.3 C[C@H]1CCCNC1 AC-15332 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 C[C@H]1CNCCN1 AC-11883 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 C[C@H]1CNCCN1 AC-6756 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 C[C@H]1COCCN1 AC-22432 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 NC1CCCNC1 AC-13109 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 NC1CCCNC1 AC-876 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 NC1CCOCC1 AC-1959 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.3 NC1CCOCC1 AC-26798 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.3 NC1CCSCC1 AC-30455 [1,0,0,1,0,0|1,1,0]=4 91 B7R1.3 NN1CCCCC1 AC-5741 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 N[C@H]1CCCNC1 AC-29157 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.3 N[C@H]1CCCOC1 AC-29355 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 O=C1COCCO1 AC-2006 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.3 OC1CCCNC1 AC-2559 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.3 OC1CCCNC1 AC-26297 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 OC1CCNCC1 AC-22474 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 O[C@H]1CCCNC1 AC-23872 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.4 CC1OCCC1=O AC-8268 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.24 C1CNCCNC1 AC-4548 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.2 CCN1CCCC(O)C1 AC-15325 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.2 CN1CCCC(CO)C1 AC-7576 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.8 BrCCN1CCOCC1 AC-859 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.8 CCOC1CCCNC1 AC-6352 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.8 COCC1CCNCC1 AC-7264 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.8 ClCCN1CCCCC1 AC-2403 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.8 ClCCN1CCOCC1 AC-31125 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.8 NCCN1CCOCC1 AC-29241 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.8 OCCN1CCNCC1 AC-2946 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.12 BrCCCN1CCCC1 AC-17195 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.12 BrCCCN1CCCC1 AC-946 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.12 CCCCN1CCCC1 AC-18281 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.12 ClCCCN1CCCC1 AC-1384 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.12 ClCCCN1CCCC1 AC-17193 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.12 OCCCN1CCCC1 AC-17216 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.15 CCN1CCNC[C@H]1C AC-30560 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.15 CN1CCCCC1CO AC-7239 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.22 OC[C@H]1OC(O)C[C@@H]1O AC-6194 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.22 OC[C@H]1O[C@H](O)C[C@@H]1O AC-19715 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.33 CN1CCCC1CCN AC-6690 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.33 CN1CCCC1CCO AC-15702 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.69 O[C@@H]1C[C@@H](O)[C@@H](O)CO1 AC-8169 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.14 CCN1CCCC1CN AC-6117 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.16 C#CCCC[C@@H]1C[C@H]1O AC-28946 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.89 N#CC1CCCCCC1 AC-26546 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.89 NCC1CCCCNC1 AC-6420 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.1 CN1CCC(CO)CC1 AC-5455 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.21 OCC1CCC(CO)N1 AC-31810 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.118 CCC1(O)CCCCC1 AC-24246 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.6 O=C(O)C1CCCCN1 AC-2835 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.6 O=C(O)C1CCCCN1 AC-691 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-15333 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-16524 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-2836 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.6 OB(O)C1CCCCC1 AC-9537 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.41 CN(C)[C@H]1COC[C@@H]1O AC-5758 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AC-31230 [0,1,0,1,0,0|1,0,1]=4 144 B9R2.49 C1CC2CCC1CN2 AC-31867 [0,0,0,2,0,0|2,0,0]=4 145 B9R2.68 [C@H]12CC[C@H](COC1)N2 AC-28739 [0,0,0,2,0,0|1,0,0]=3 146 B9R2.3 C1CC2CNCC2C1 AC-086 [0,0,0,2,0,0|2,0,0]=4