0 B6R1.2 CC1CCCN1 AC-626 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 C[C@@H]1CCCN1 AC-6782 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 C[C@H]1CCCN1 AC-25577 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 F[C@@H]1CCNC1 AC-25611 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 NC1=NCCC1 AC-23074 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 NC1=NCCS1 AC-8411 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 NC1CC=CC1 AC-31017 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.2 NC1CCNC1 AC-13298 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 NC1CCNC1 AC-28106 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 N[C@@H]1CCNC1 AC-13107 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 N[C@@H]1CCNC1 AC-3508 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 N[C@H]1CCNC1 AC-6713 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 N[C@H]1CCOC1 AC-31360 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 O=C1CCNC1 AC-22609 [0,0,0,0,0,0|1,1,1]=3 14 B6R1.2 OC1CCNC1 AC-2443 [0,0,0,0,0,0|1,1,0]=2 15 B6R1.2 O[C@@H]1CCNC1 AC-13108 [0,0,0,0,0,0|1,1,0]=2 16 B6R1.2 O[C@@H]1CCNC1 AC-6381 [0,0,0,0,0,0|1,1,0]=2 17 B6R1.2 O[C@@H]1CCOC1 AC-13894 [0,0,0,0,0,0|1,1,0]=2 18 B6R1.2 O[C@H]1CCNC1 AC-1127 [0,0,0,0,0,0|1,1,0]=2 19 B6R1.2 O[C@H]1CCNC1 AC-27035 [0,0,0,0,0,0|1,1,0]=2 20 B6R1.2 O[C@H]1CCOC1 AC-1844 [0,0,0,0,0,0|1,1,0]=2 21 B6R1.2 O[C@H]1CCOC1 AC-491 [0,0,0,0,0,0|1,1,0]=2 22 B5R1.1 C1=CCNC1 AC-22446 [1,0,0,0,0,0|1,0,2]=4 23 B5R1.1 C1CNNC1 AC-31755 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 COC1CCNC1 AC-7890 [0,1,0,0,0,0|1,1,0]=3 25 B7R1.1 CO[C@@H]1CCNC1 AC-29650 [0,1,0,0,0,0|1,1,0]=3 26 B7R1.1 CO[C@H]1CCNC1 AC-29649 [0,1,0,0,0,0|1,1,0]=3 27 B7R1.1 ClCC1CCCO1 AC-25685 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 N#C[C@@H]1CCCN1 AC-6532 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 O=CC1=CCCC1 AC-33806 [0,1,0,0,0,0|0,1,2]=4 30 B7R1.1 O=CC1CCCO1 AC-22531 [0,1,0,0,0,0|1,1,0]=3 31 B7R1.1 OCC1CCNC1 AC-26851 [0,1,0,0,0,0|1,1,0]=3 32 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [0,1,0,0,0,0|1,1,0]=3 33 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [0,1,0,0,0,0|1,1,0]=3 34 B7R1.1 OC[C@H]1CCCN1 AC-23551 [0,1,0,0,0,0|1,1,0]=3 35 B7R1.1 OC[C@H]1CCNC1 AC-22424 [0,1,0,0,0,0|1,1,0]=3 36 B7R1.2 CN1CCC(=O)C1 AC-7086 [0,1,0,0,0,0|1,1,1]=4 37 B7R1.2 CN1CCC(O)C1 AC-6615 [0,1,0,0,0,0|1,1,0]=3 38 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [0,1,0,0,0,0|1,1,0]=3 39 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [0,1,0,0,0,0|1,1,0]=3 40 B7R1.2 NC1CCC(O)C1 AC-33552 [0,1,0,0,0,0|0,1,0]=2 41 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-30659 [0,1,0,0,0,0|0,1,0]=2 42 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-31322 [0,1,0,0,0,0|0,1,0]=2 43 B7R1.2 O=C1CCC(=O)C1 AC-1796 [0,1,0,0,0,0|0,1,2]=4 44 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [0,1,0,0,0,0|1,1,1]=4 45 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [0,1,0,0,0,0|1,1,1]=4 46 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [0,1,0,0,0,0|1,1,1]=4 47 B7R1.4 BrC1=C(Br)CCC1 AC-18439 [0,1,0,0,0,0|1,0,2]=4 48 B7R1.4 CC1OCCC1=O AC-8268 [0,1,0,0,0,0|1,1,1]=4 49 B7R1.4 CN1CCN=C1S AC-15625 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.4 NC1CCNC1=O AC-29504 [0,1,0,0,0,0|1,1,1]=4 51 B7R1.4 NC1CCSC1=O AC-31997 [0,1,0,0,0,0|1,1,1]=4 52 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,1,0,0,0,0|0,1,0]=2 53 B7R1.4 N[C@@H]1CCNC1=O AC-24599 [0,1,0,0,0,0|1,1,1]=4 54 B7R1.4 N[C@@H]1CCNC1=O AC-29229 [0,1,0,0,0,0|1,1,1]=4 55 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,1,0,0,0,0|1,1,1]=4 56 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,1,0,0,0,0|0,1,0]=2 57 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,1,0,0,0,0|0,1,0]=2 58 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,1,0,0,0,0|1,1,1]=4 59 B7R1.4 O=C1CCCC1Br AC-22966 [0,1,0,0,0,0|0,1,1]=3 60 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [0,1,0,0,0,0|1,1,1]=4 61 B7R1.4 O=C1OCCC1Br AC-18401 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.14 CC1(O)CCCC1 AC-8842 [0,1,0,0,0,0|0,1,0]=2 63 B7R1.14 FC1(F)CCNC1 AC-6623 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 CCCC(N)=[NH2+] AC-3370 [0,0,1,0,0,0|2,0,1]=4 65 B5R0.1 COC[C@@H](C)N AC-28410 [0,0,1,0,0,0|2,0,0]=3 66 B5R0.1 C[C@@H](O)CCO AC-5640 [0,0,1,0,0,0|1,1,0]=3 67 B5R0.2 NCCCCN AC-4426 [0,0,1,0,0,0|2,0,0]=3 68 B5R0.2 NCCCCO AC-034 [0,0,1,0,0,0|1,1,0]=3 69 B5R0.3 NC(CO)CO AC-13723 [0,0,1,0,0,0|3,0,0]=4 70 B5R0.3 NCC(O)CN AC-3376 [0,0,1,0,0,0|2,1,0]=4 71 B5R0.3 NCC(O)CO AC-23129 [0,0,1,0,0,0|2,1,0]=4 72 B5R0.3 NC[C@@H](O)CO AC-7033 [0,0,1,0,0,0|2,1,0]=4 73 B5R0.3 NC[C@H](O)CCl AC-26415 [0,0,1,0,0,0|2,1,0]=4 74 B5R0.3 NC[C@H](O)CO AC-13922 [0,0,1,0,0,0|2,1,0]=4 75 B5R0.3 NC[C@H](O)CO AC-7162 [0,0,1,0,0,0|2,1,0]=4 76 B5R0.3 OC[C@@H](O)CCl AC-7038 [0,0,1,0,0,0|2,1,0]=4 77 B5R0.3 OC[C@H](O)CCl AC-7037 [0,0,1,0,0,0|2,1,0]=4 78 B7R2.13 C1NCC2CC12 AC-31192 [0,0,0,1,0,0|2,0,0]=3 79 B5R1.2 ClC1CCC1 AC-10054 [0,0,0,0,1,0|1,0,0]=2 80 B5R1.2 FC1CNC1 AC-25612 [0,0,0,0,1,0|2,0,0]=3 81 B5R1.2 NC1CNC1 AC-24374 [0,0,0,0,1,0|2,0,0]=3 82 B5R1.2 O=C1CSC1 AC-33700 [0,0,0,0,1,0|1,1,1]=4 83 B5R1.2 OC1CNC1 AC-092 [0,0,0,0,1,0|1,1,0]=3 84 B5R1.2 OC1CNC1 AC-868 [0,0,0,0,1,0|1,1,0]=3 85 B7R1.3 BrC1CCNCC1 AC-23243 [0,0,0,0,0,1|1,0,0]=2 86 B7R1.3 CC1CNCCO1 AC-9514 [0,0,0,0,0,1|2,0,0]=3 87 B7R1.3 CC1COCCN1 AC-9513 [0,0,0,0,0,1|2,0,0]=3 88 B7R1.3 C[C@@H]1CNCCN1 AC-4396 [0,0,0,0,0,1|2,0,0]=3 89 B7R1.3 C[C@@H]1CNCCO1 AC-26735 [0,0,0,0,0,1|2,0,0]=3 90 B7R1.3 C[C@@H]1CNCCO1 AC-26736 [0,0,0,0,0,1|2,0,0]=3 91 B7R1.3 C[C@@H]1COCCN1 AC-22431 [0,0,0,0,0,1|2,0,0]=3 92 B7R1.3 C[C@H]1CCCCN1 AC-15354 [0,0,0,0,0,1|1,0,0]=2 93 B7R1.3 C[C@H]1CCCNC1 AC-15332 [0,0,0,0,0,1|1,0,0]=2 94 B7R1.3 C[C@H]1CNCCN1 AC-11883 [0,0,0,0,0,1|2,0,0]=3 95 B7R1.3 C[C@H]1CNCCN1 AC-6756 [0,0,0,0,0,1|2,0,0]=3 96 B7R1.3 C[C@H]1COCCN1 AC-22432 [0,0,0,0,0,1|2,0,0]=3 97 B7R1.3 NC1CCCNC1 AC-13109 [0,0,0,0,0,1|1,0,0]=2 98 B7R1.3 NC1CCCNC1 AC-876 [0,0,0,0,0,1|1,0,0]=2 99 B7R1.3 NC1CCOCC1 AC-1959 [0,0,0,0,0,1|1,0,0]=2 100 B7R1.3 NC1CCOCC1 AC-26798 [0,0,0,0,0,1|1,0,0]=2 101 B7R1.3 NC1CCSCC1 AC-30455 [0,0,0,0,0,1|1,0,0]=2 102 B7R1.3 NN1CCCCC1 AC-5741 [0,0,0,0,0,1|2,0,0]=3 103 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [0,0,0,0,0,1|1,0,0]=2 104 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [0,0,0,0,0,1|1,0,0]=2 105 B7R1.3 N[C@H]1CCCNC1 AC-29157 [0,0,0,0,0,1|1,0,0]=2 106 B7R1.3 N[C@H]1CCCOC1 AC-29355 [0,0,0,0,0,1|1,0,0]=2 107 B7R1.3 O=C1CCCCN1 AC-33837 [0,0,0,0,0,1|0,1,1]=3 108 B7R1.3 O=C1CCCNC1 AC-1207 [0,0,0,0,0,1|0,1,1]=3 109 B7R1.3 O=C1CCNCC1 AC-30748 [0,0,0,0,0,1|0,1,1]=3 110 B7R1.3 O=C1CCSCC1 AC-1822 [0,0,0,0,0,1|0,1,1]=3 111 B7R1.3 O=C1CNCCN1 AC-1109 [0,0,0,0,0,1|1,1,1]=4 112 B7R1.3 O=C1COCCO1 AC-2006 [0,0,0,0,0,1|1,1,1]=4 113 B7R1.3 OC1CCCNC1 AC-2559 [0,0,0,0,0,1|0,1,0]=2 114 B7R1.3 OC1CCCNC1 AC-26297 [0,0,0,0,0,1|0,1,0]=2 115 B7R1.3 OC1CCNCC1 AC-22474 [0,0,0,0,0,1|0,1,0]=2 116 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [0,0,0,0,0,1|0,1,0]=2 117 B7R1.3 O[C@H]1CCCNC1 AC-23872 [0,0,0,0,0,1|0,1,0]=2 118 B7R1.3 S=C1CCCCN1 AC-8871 [0,0,0,0,0,1|0,0,2]=3 119 B4R0.1 CC(N)CN AC-22047 [1,0,1,0,0,0|2,0,0]=4 120 B4R0.1 CC(N)CO AC-24046 [1,0,1,0,0,0|2,0,0]=4 121 B4R0.1 C[C@@H](N)CO AC-24153 [1,0,1,0,0,0|2,0,0]=4 122 B4R0.1 C[C@@H](O)CN AC-7043 [1,0,1,0,0,0|1,1,0]=4 123 B4R0.1 C[C@@H](O)CO AC-14032 [1,0,1,0,0,0|1,1,0]=4 124 B4R0.1 C[C@H](N)CO AC-1565 [1,0,1,0,0,0|2,0,0]=4 125 B4R0.1 C[C@H](N)CO AC-24154 [1,0,1,0,0,0|2,0,0]=4 126 B4R0.1 C[C@H](O)CO AC-14033 [1,0,1,0,0,0|1,1,0]=4 127 B4R0.2 CCSCC AC-18108 [1,0,1,0,0,0|1,0,0]=3 128 B4R0.2 CC[Zn]CC AC-1790 [1,0,1,0,0,0|1,0,0]=3 129 B4R0.2 NCCCBr AC-150 [1,0,1,0,0,0|2,0,0]=4 130 B4R0.2 NCCCCl AC-8352 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 CC(CO)CCN AC-31753 [0,1,1,0,0,0|1,1,0]=4 132 B6R0.1 CNCC(O)CO AC-23234 [0,1,1,0,0,0|1,1,0]=4 133 B6R0.1 COC[C@@H](N)CO AC-13526 [0,1,1,0,0,0|2,0,0]=4 134 B6R0.1 OCC[C@@H](O)CO AC-13918 [0,1,1,0,0,0|1,1,0]=4 135 B6R0.1 OCC[C@H](O)CO AC-13895 [0,1,1,0,0,0|1,1,0]=4 136 B6R0.3 CC(C)[C@@H](N)CO AC-13953 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.3 CC(C)[C@H](N)CO AC-057 [0,1,1,0,0,0|2,0,0]=4 138 B6R0.3 CC(C)[C@H](N)CO AC-13725 [0,1,1,0,0,0|2,0,0]=4 139 B6R0.4 CC(C)NCCCl AC-29461 [0,1,1,0,0,0|2,0,0]=4 140 B6R0.4 CN(C)CCCBr AC-25139 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.4 CN(C)CCCBr AC-8952 [0,1,1,0,0,0|2,0,0]=4 142 B6R0.4 CN(C)CCCCl AC-360 [0,1,1,0,0,0|2,0,0]=4 143 B6R0.4 CN(C)CCCN AC-363 [0,1,1,0,0,0|2,0,0]=4 144 B6R0.4 CN(C)CCCO AC-359 [0,1,1,0,0,0|2,0,0]=4 145 B6R0.6 ClCCNCCCl AC-22676 [0,1,1,0,0,0|2,0,0]=4 146 B6R0.6 ICCOCCI AC-33902 [0,1,1,0,0,0|2,0,0]=4 147 B6R1.5 CN1CC(N)C1 AC-9132 [0,1,0,0,1,0|2,0,0]=4 148 B6R1.6 BrCC1CCC1 AC-19697 [0,1,0,0,1,0|1,0,0]=3 149 B6R1.6 CNC1CCC1 AC-29607 [0,1,0,0,1,0|1,0,0]=3 150 B6R1.6 COC1CNC1 AC-23386 [0,1,0,0,1,0|1,1,0]=4 151 B6R1.6 N#CC1CNC1 AC-9151 [0,1,0,0,1,0|2,0,0]=4 152 B6R1.6 OCC1CCC1 AC-25568 [0,1,0,0,1,0|0,1,0]=3 153 B6R1.6 OCC1CNC1 AC-7925 [0,1,0,0,1,0|1,1,0]=4 154 B6R1.10 CC1(N)CCC1 AC-26603 [0,1,0,0,1,0|1,0,0]=3 155 B6R1.10 CC1(N)COC1 AC-8261 [0,1,0,0,1,0|2,0,0]=4 156 B6R1.10 FC1(F)CNC1 AC-29797 [0,1,0,0,1,0|2,0,0]=4 157 B8R1.2 BrCC1CCOCC1 AC-4220 [0,1,0,0,0,1|1,0,0]=3 158 B8R1.2 CC[C@H]1CNCCN1 AC-11869 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.2 CNC1CCCNC1 AC-1189 [0,1,0,0,0,1|1,0,0]=3 160 B8R1.2 COC1CCCNC1 AC-7886 [0,1,0,0,0,1|0,1,0]=3 161 B8R1.2 N#CC1CNCCN1 AC-24271 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.2 N#C[C@@H]1CCCCN1 AC-10300 [0,1,0,0,0,1|1,0,0]=3 163 B8R1.2 NCC1CCCCN1 AC-31100 [0,1,0,0,0,1|1,0,0]=3 164 B8R1.2 NCC1COCCO1 AC-29687 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 NNC1CCOCC1 AC-29391 [0,1,0,0,0,1|1,0,0]=3 166 B8R1.2 NOC1CCCCO1 AC-4405 [0,1,0,0,0,1|0,1,0]=3 167 B8R1.2 O=CC1CCNCC1 AC-31130 [0,1,0,0,0,1|0,1,0]=3 168 B8R1.2 O=CN1CCOCC1 AC-7190 [0,1,0,0,0,1|1,1,0]=4 169 B8R1.2 OCC1CCCCN1 AC-22477 [0,1,0,0,0,1|0,1,0]=3 170 B8R1.2 OCC1CCCNC1 AC-22476 [0,1,0,0,0,1|0,1,0]=3 171 B8R1.2 OCC1CCNCC1 AC-22475 [0,1,0,0,0,1|0,1,0]=3 172 B8R1.2 OCC1CCOCC1 AC-26737 [0,1,0,0,0,1|0,1,0]=3 173 B8R1.2 OCC1COCCN1 AC-3086 [0,1,0,0,0,1|1,1,0]=4 174 B8R1.2 OC[C@@H]1COCCN1 AC-28902 [0,1,0,0,0,1|1,1,0]=4 175 B8R1.2 OC[C@@H]1COCCO1 AC-29516 [0,1,0,0,0,1|1,1,0]=4 176 B8R1.2 OC[C@H]1COCCO1 AC-29517 [0,1,0,0,0,1|1,1,0]=4 177 B8R1.3 CC1CCC(N)CC1 AC-18739 [0,1,0,0,0,1|1,0,0]=3 178 B8R1.3 CN1CCC(=O)CC1 AC-15424 [0,1,0,0,0,1|0,1,1]=4 179 B8R1.3 CN1CCC(Cl)CC1 AC-15426 [0,1,0,0,0,1|1,0,0]=3 180 B8R1.3 CN1CCC(Cl)CC1 AC-6961 [0,1,0,0,0,1|1,0,0]=3 181 B8R1.3 CN1CCC(N)CC1 AC-7577 [0,1,0,0,0,1|1,0,0]=3 182 B8R1.3 CN1CCC(O)CC1 AC-15425 [0,1,0,0,0,1|0,1,0]=3 183 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-371 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.3 NC1CCC(O)CC1 AC-7142 [0,1,0,0,0,1|0,1,0]=3 185 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AC-33908 [0,1,0,0,0,1|0,1,0]=3 186 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-042 [0,1,0,0,0,1|0,1,0]=3 187 B8R1.3 OC1CSC(O)CS1 AC-5633 [0,1,0,0,0,1|1,1,0]=4 188 B8R1.4 CC1CCNC(C)C1 AC-16581 [0,1,0,0,0,1|1,0,0]=3 189 B8R1.4 CC1CNCC(C)O1 AC-1983 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.4 CN1CCCC(N)C1 AC-25593 [0,1,0,0,0,1|1,0,0]=3 191 B8R1.4 CN1CCCC(N)C1 AC-3555 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.4 CN1CCC[C@@H](N)C1 AC-29540 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.4 CN1CCC[C@@H](N)C1 AC-30734 [0,1,0,0,0,1|1,0,0]=3 194 B8R1.4 CN1CCC[C@H](N)C1 AC-29541 [0,1,0,0,0,1|1,0,0]=3 195 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AC-31124 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.4 C[C@H]1CN(C)CCN1 AC-30550 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-19708 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AC-1984 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-31121 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.4 NC1CCCC(O)C1 AC-1188 [0,1,0,0,0,1|0,1,0]=3 201 B8R1.4 NC1CCCC(O)C1 AC-29440 [0,1,0,0,0,1|0,1,0]=3 202 B8R1.4 NC1CCNC(=O)C1 AC-26388 [0,1,0,0,0,1|0,1,1]=4 203 B8R1.4 NC1CCNC(=O)C1 AC-5057 [0,1,0,0,0,1|0,1,1]=4 204 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,1,0,0,0,1|0,1,1]=4 205 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [0,1,0,0,0,1|0,1,1]=4 206 B8R1.5 CC1CNCCC1=O AC-29528 [0,1,0,0,0,1|0,1,1]=4 207 B8R1.5 C[C@@H]1CCCC[C@@H]1N AC-29596 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.5 C[C@@H]1CNCCN1C AC-30559 [0,1,0,0,0,1|2,0,0]=4 209 B8R1.5 C[C@H]1CCCC[C@H]1N AC-29595 [0,1,0,0,0,1|1,0,0]=3 210 B8R1.5 C[C@H]1CNCCN1C AC-30521 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.5 NC1CCCCC1N AC-4689 [0,1,0,0,0,1|1,0,0]=3 212 B8R1.5 NC1COCCC1O AC-31581 [0,1,0,0,0,1|0,1,0]=3 213 B8R1.5 NN1CCCCC1=O AC-4305 [0,1,0,0,0,1|0,1,1]=4 214 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-6142 [0,1,0,0,0,1|0,1,0]=3 215 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-2110 [0,1,0,0,0,1|1,0,0]=3 216 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-6758 [0,1,0,0,0,1|1,0,0]=3 217 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-7032 [0,1,0,0,0,1|1,0,0]=3 218 B8R1.5 N[C@H]1CCCC[C@H]1O AC-6141 [0,1,0,0,0,1|0,1,0]=3 219 B8R1.5 N[C@H]1CCCNC1=O AC-29438 [0,1,0,0,0,1|0,1,1]=4 220 B8R1.5 O=C1CCNCC1F AC-8859 [0,1,0,0,0,1|0,1,1]=4 221 B8R1.72 CC1(C)CNCCN1 AC-33678 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.72 CC1(O)CCCCC1 AC-8843 [0,1,0,0,0,1|0,1,0]=3 223 B8R1.72 C[N+]1([O-])CCOCC1 AC-2514 [0,1,0,0,0,1|1,1,0]=4 224 B8R1.72 FC1(F)CCCNC1 AC-31885 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.72 FC1(F)CCNCC1 AC-27441 [0,1,0,0,0,1|1,0,0]=3 226 B8R1.72 O=S1(=O)CCNCC1 AC-23959 [0,1,0,0,0,1|1,1,0]=4 227 B8R1.72 O=S1(=O)CCNCC1 AC-8258 [0,1,0,0,0,1|1,1,0]=4 228 B8R1.72 OC1(O)CCNCC1 AC-687 [0,1,0,0,0,1|0,1,0]=3 229 B8R1.7 CC(=O)C1CCCC1 AC-5229 [0,2,0,0,0,0|0,1,0]=3 230 B8R1.7 CN(C)[C@@H]1CCNC1 AC-2595 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.7 CN(C)[C@H]1CCNC1 AC-6516 [0,2,0,0,0,0|2,0,0]=4 232 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-24602 [0,2,0,0,0,0|1,1,0]=4 233 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-25877 [0,2,0,0,0,0|1,1,0]=4 234 B8R1.7 NC(=S)N1CCCC1 AC-17451 [0,2,0,0,0,0|1,0,1]=4 235 B8R1.7 O=C(Cl)C1CCCO1 AC-33304 [0,2,0,0,0,0|1,1,0]=4 236 B8R1.7 O=C(O)C1CCCN1 AC-24084 [0,2,0,0,0,0|1,1,0]=4 237 B8R1.7 O=C(O)C1CCNC1 AC-24626 [0,2,0,0,0,0|1,1,0]=4 238 B8R1.7 O=C(O)C1CCNC1 AC-710 [0,2,0,0,0,0|1,1,0]=4 239 B8R1.7 O=C(O)[C@@H]1CCCN1 AC-11190 [0,2,0,0,0,0|1,1,0]=4 240 B8R1.7 O=C(O)[C@H]1CCCN1 AC-24083 [0,2,0,0,0,0|1,1,0]=4 241 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3416 [0,2,0,0,0,0|1,1,0]=4 242 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3417 [0,2,0,0,0,0|1,1,0]=4 243 B8R1.7 OB(O)C1CCCC1 AC-9536 [0,2,0,0,0,0|0,1,0]=3 244 B8R1.8 BrCCN1CCCC1 AC-17198 [0,2,0,0,0,0|2,0,0]=4 245 B8R1.8 BrCCN1CCCC1 AC-17199 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.8 COC[C@@H]1CCCN1 AC-23477 [0,2,0,0,0,0|1,1,0]=4 247 B8R1.8 COC[C@H]1CCCN1 AC-23478 [0,2,0,0,0,0|1,1,0]=4 248 B8R1.8 ClCCN1CCCC1 AC-17196 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.8 ClCCN1CCCC1 AC-17197 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.8 ClCCN1CCCC1 AC-8320 [0,2,0,0,0,0|2,0,0]=4 251 B8R1.8 OCCN1CCCC1 AC-18883 [0,2,0,0,0,0|1,1,0]=4 252 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,2,0,0,0,0|1,1,0]=4 253 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,2,0,0,0,0|1,1,0]=4 254 B8R1.52 CC[N+]1(C)CCCC1 AC-27455 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.52 N#CC1(N)CCOC1 AC-29865 [0,2,0,0,0,0|2,0,0]=4 256 B6R1.3 CNCC1CC1 AC-36909 [0,0,1,1,0,0|2,0,0]=4 257 B6R1.3 CSCC1CO1 AC-9028 [0,0,1,1,0,0|1,1,0]=4 258 B6R1.3 NCCC1CC1 AC-31186 [0,0,1,1,0,0|2,0,0]=4 259 B6R1.1 C1CNCCN1 AC-18927 [0,0,1,1,0,0|2,0,0]=4 260 B6R1.7 CC1(CN)CC1 AC-30547 [0,0,1,1,0,0|2,0,0]=4 261 B6R1.7 NC1(CF)CC1 AC-29807 [0,0,1,1,0,0|2,0,0]=4 262 B6R1.7 NC1(CO)CC1 AC-1482 [0,0,1,1,0,0|2,0,0]=4 263 B6R1.7 NC1(CO)CC1 AC-22289 [0,0,1,1,0,0|2,0,0]=4 264 B6R1.7 NCC1(O)CC1 AC-13210 [0,0,1,1,0,0|1,1,0]=4 265 B8R2.25 C1CCC2OC2C1 AC-293 [0,0,0,1,0,1|0,1,0]=3 266 B8R2.34 [C@H]12CC[C@H](C1)NC2 AC-4771 [0,0,0,1,0,1|1,0,0]=3 267 B8R2.34 [C@H]12CN[C@H](CN1)C2 AC-29213 [0,0,0,1,0,1|2,0,0]=4 268 B4R1.1 C1CNC1 AC-1060 [1,0,0,0,1,0|1,0,0]=3 269 B8R1.22 CN1CCCNCC1 AC-9085 [0,0,0,0,0,2|2,0,0]=4 270 B8R1.22 CN1CCCNCC1 AC-989 [0,0,0,0,0,2|2,0,0]=4 271 B8R1.22 NC1CCCCNC1 AC-23372 [0,0,0,0,0,2|1,0,0]=3 272 B8R1.22 NC1CCCNCC1 AC-4607 [0,0,0,0,0,2|1,0,0]=3 273 B8R1.22 O=C1CCCNCC1 AC-862 [0,0,0,0,0,2|0,1,1]=4 274 B8R1.22 O=C1CCNCCN1 AC-26733 [0,0,0,0,0,2|0,1,1]=4 275 B8R1.22 O=C1CNCCCN1 AC-29485 [0,0,0,0,0,2|0,1,1]=4 276 B8R1.22 OC1CCCNCC1 AC-4606 [0,0,0,0,0,2|0,1,0]=3 277 B8R1.22 OC1CCCNCC1 AC-9043 [0,0,0,0,0,2|0,1,0]=3