0 B6R0.6 ClCCNCCCl AC-22676 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 ICCOCCI AC-33902 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 NCCCCN AC-4426 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.2 NCCCCO AC-034 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.1 NCCCNCCBr AC-701 [0,1,0,0,0,0|2,0,0]=3 5 B7R0.3 COCO[C@@H](C)CO AC-6918 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.3 COCO[C@H](C)CO AC-6917 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.3 CSCC[C@H](N)CO AC-13954 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.4 C#CCNCC(=O)O AC-6385 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.4 C=CCNCC(=O)O AC-9106 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.4 NCCCCC(=O)O AC-6337 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.4 O=C(O)CCCCBr AC-1769 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.7 O=C(CCCl)CCCl AC-873 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCC1=NCCN1 AC-7479 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.1 ClCC1CCCO1 AC-25685 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.1 N#C[C@@H]1CCCN1 AC-6532 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.1 O=CC1CCCO1 AC-22531 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.1 OCC1CCNC1 AC-26851 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 OC[C@H]1CCCN1 AC-23551 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.1 OC[C@H]1CCNC1 AC-22424 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.3 CC1CNCCO1 AC-9514 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.3 CC1COCCN1 AC-9513 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 C[C@@H]1CNCCN1 AC-4396 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 C[C@@H]1CNCCO1 AC-26735 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.3 C[C@@H]1CNCCO1 AC-26736 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.3 C[C@@H]1COCCN1 AC-22431 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.3 C[C@H]1CCCCN1 AC-15354 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 C[C@H]1CCCNC1 AC-15332 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 C[C@H]1CNCCN1 AC-11883 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 C[C@H]1CNCCN1 AC-6756 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 C[C@H]1COCCN1 AC-22432 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 NC1CCCNC1 AC-13109 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 NC1CCCNC1 AC-876 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 N[C@H]1CCCNC1 AC-29157 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 N[C@H]1CCCOC1 AC-29355 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 O=C1CCCNC1 AC-1207 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 O=C1CNCCN1 AC-1109 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.3 O=C1COCCO1 AC-2006 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.3 OC1CCCNC1 AC-2559 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.3 OC1CCCNC1 AC-26297 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.3 OC1CCNCC1 AC-22474 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.3 O[C@H]1CCCNC1 AC-23872 [0,0,0,1,0,0|1,0,0]=2 47 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.24 C1CNCCNC1 AC-4548 [0,0,0,1,0,0|2,0,0]=3 51 B4R0.2 CCSCC AC-18108 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 CC[Zn]CC AC-1790 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 CNCC#N AC-4442 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.2 NCCCBr AC-150 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 NCCCCl AC-8352 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 CC(CO)CCN AC-31753 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.1 CNCC(O)CO AC-23234 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.1 COC[C@@H](N)CO AC-13526 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 OCC[C@@H](O)CO AC-13918 [1,1,0,0,0,0|0,0,0]=2 60 B6R0.1 OCC[C@H](O)CO AC-13895 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.4 CC(=O)NCCN AC-7474 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(C)NCCCl AC-29461 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.4 CN(C)CCCO AC-359 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 O=C(O)CCCBr AC-6279 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.4 OCCCNCCCO AC-515 [0,2,0,0,0,0|0,0,0]=2 66 B8R0.7 NCCCCCC(=O)O AC-035 [0,2,0,0,0,0|2,0,0]=4 67 B6R1.1 C1=CCOCC1 AC-33900 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.1 C1CNCCN1 AC-18927 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.2 CC1CCCN1 AC-626 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.2 C[C@@H]1CCCN1 AC-6782 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.2 C[C@H]1CCCN1 AC-25577 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.2 F[C@@H]1CCNC1 AC-25611 [1,0,0,1,0,0|1,0,0]=3 73 B6R1.2 NC1CCNC1 AC-13298 [1,0,0,1,0,0|1,0,0]=3 74 B6R1.2 NC1CCNC1 AC-28106 [1,0,0,1,0,0|1,0,0]=3 75 B6R1.2 N[C@@H]1CCNC1 AC-13107 [1,0,0,1,0,0|1,0,0]=3 76 B6R1.2 N[C@@H]1CCNC1 AC-3508 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.2 N[C@H]1CCNC1 AC-6713 [1,0,0,1,0,0|1,0,0]=3 78 B6R1.2 N[C@H]1CCOC1 AC-31360 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.2 O=C1CCNC1 AC-22609 [1,0,0,1,0,0|0,0,2]=4 80 B6R1.2 OC1CCNC1 AC-2443 [1,0,0,1,0,0|0,0,0]=2 81 B6R1.2 O[C@@H]1CCNC1 AC-13108 [1,0,0,1,0,0|0,0,0]=2 82 B6R1.2 O[C@@H]1CCNC1 AC-6381 [1,0,0,1,0,0|0,0,0]=2 83 B6R1.2 O[C@@H]1CCOC1 AC-13894 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.2 O[C@H]1CCNC1 AC-1127 [1,0,0,1,0,0|0,0,0]=2 85 B6R1.2 O[C@H]1CCNC1 AC-27035 [1,0,0,1,0,0|0,0,0]=2 86 B6R1.2 O[C@H]1CCOC1 AC-1844 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.2 O[C@H]1CCOC1 AC-491 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.3 CSCC1CO1 AC-9028 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.3 NCCC1CC1 AC-31186 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.3 NCCN1CC1 AC-9518 [1,0,0,1,0,0|1,0,0]=3 91 B6R1.6 BrCC1CCC1 AC-19697 [1,0,0,1,0,0|2,0,0]=4 92 B6R1.6 OCC1CCC1 AC-25568 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.6 OCC1CNC1 AC-7925 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.2 CC[C@H]1CNCCN1 AC-11869 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.2 CNC1CCCNC1 AC-1189 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.2 COC1CCCNC1 AC-7886 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.2 N#CC1CNCCN1 AC-24271 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.2 NCC1CCCCN1 AC-31100 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.2 NCC1COCCO1 AC-29687 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.2 NOC1CCCCO1 AC-4405 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.2 OCC1CCCCN1 AC-22477 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.2 OCC1CCCNC1 AC-22476 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.2 OCC1CCNCC1 AC-22475 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.2 OCC1CCOCC1 AC-26737 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.2 OCC1COCCN1 AC-3086 [0,1,0,1,0,0|0,0,0]=2 106 B8R1.2 OC[C@@H]1COCCN1 AC-28902 [0,1,0,1,0,0|0,0,0]=2 107 B8R1.2 OC[C@@H]1COCCO1 AC-29516 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.2 OC[C@H]1COCCO1 AC-29517 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.5 CC1CNCCC1=O AC-29528 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 C[C@@H]1CNCCN1C AC-30559 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.5 C[C@H]1CNCCN1C AC-30521 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.5 NC1COCCC1O AC-31581 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-6142 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.5 N[C@H]1CCCC[C@H]1O AC-6141 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.5 O=C1CCNCC1F AC-8859 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.8 BrCCN1CCCC1 AC-17198 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.8 BrCCN1CCCC1 AC-17199 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.8 COC[C@@H]1CCCN1 AC-23477 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.8 COC[C@H]1CCCN1 AC-23478 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.8 ClCCN1CCCC1 AC-17196 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.8 ClCCN1CCCC1 AC-17197 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.8 ClCCN1CCCC1 AC-8320 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.8 OCCN1CCCC1 AC-18883 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.22 CN1CCCNCC1 AC-9085 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.22 CN1CCCNCC1 AC-989 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.22 NC1CCCCNC1 AC-23372 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.22 NC1CCCNCC1 AC-4607 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.22 O=C1CCCNCC1 AC-862 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.22 O=C1CCNCCN1 AC-26733 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.22 OC1CCCNCC1 AC-4606 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.22 OC1CCCNCC1 AC-9043 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.36 CCCNCC1CC1 AC-13077 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.1 O=C1CC[C@@H](CO)O1 AC-6630 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.1 O=C1CC[C@H](CO)N1 AC-4424 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.1 O=C1CC[C@H](CO)O1 AC-6629 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-371 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.3 NC1CCC(O)CC1 AC-7142 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AC-33908 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-042 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.3 OC1CSC(O)CS1 AC-5633 [0,1,0,1,0,0|1,1,0]=4 143 B8R1.4 CC1CNCC(C)O1 AC-1983 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.4 CN1CCCC(N)C1 AC-25593 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.4 CN1CCCC(N)C1 AC-3555 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.4 CN1CCC[C@@H](N)C1 AC-29540 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.4 CN1CCC[C@@H](N)C1 AC-30734 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.4 CN1CCC[C@H](N)C1 AC-29541 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AC-31124 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.4 C[C@H]1CN(C)CCN1 AC-30550 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-19708 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AC-1984 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-31121 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.4 NC1CCCC(O)C1 AC-1188 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.4 NC1CCCC(O)C1 AC-29440 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.7 O=C(O)C1CCCN1 AC-24084 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.7 O=C(O)C1NCCS1 AC-27435 [0,1,0,1,0,0|0,1,1]=4 158 B8R1.7 O=C(O)[C@@H]1CCCN1 AC-11190 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.7 O=C(O)[C@H]1CCCN1 AC-24083 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3416 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3417 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.72 CC1(C)CNCCN1 AC-33678 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.72 CC1(O)CCCCC1 AC-8843 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.72 FC1(F)CCCNC1 AC-31885 [0,1,0,1,0,0|2,0,0]=4 165 B8R2.34 [C@H]12CC[C@H](C1)NC2 AC-4771 [0,0,0,2,0,0|2,0,0]=4 166 B8R2.34 [C@H]12CN[C@H](CN1)C2 AC-29213 [0,0,0,2,0,0|2,0,0]=4 167 B8R2.25 C1CCC2OC2C1 AC-293 [0,0,0,2,0,0|2,0,0]=4