0 B6R0.6 ClCCNCCCl AC-22676 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 ICCOCCI AC-33902 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 NCCCCN AC-4426 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 NCCCCO AC-034 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.1 NCCCNCCBr AC-701 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.3 COCO[C@@H](C)CO AC-6918 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.3 COCO[C@H](C)CO AC-6917 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 CSCC[C@H](N)CO AC-13954 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.7 CCOC(=O)CC=O AC-5296 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.7 CCOC(=O)CCN AC-19163 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.7 CCOC(=O)CNN AC-1387 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.7 O=C(CCCl)CCCl AC-873 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.1 CCC1=CC=CS1 AC-16553 [0,0,0,1,0,0|0,1,2]=4 13 B7R1.1 CCC1=CNC=C1 AC-13937 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.1 CCC1=CSC=C1 AC-4944 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.1 ClCC1=NCCN1 AC-7479 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.1 ClCC1CCCO1 AC-25685 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.1 NCC1=CC=NO1 AC-25324 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 O=CC1=CCCC1 AC-33806 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.1 OCC1=CSC=C1 AC-4927 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.1 OCC1=NNC=C1 AC-23069 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 OCC1CCNC1 AC-26851 [0,0,0,1,0,0|1,0,1]=3 22 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [0,0,0,1,0,0|1,0,1]=3 23 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.1 OC[C@H]1CCCN1 AC-23551 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.1 OC[C@H]1CCNC1 AC-22424 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.3 BrC1CCNCC1 AC-23243 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 CC1CNCCO1 AC-9514 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.3 CC1COCCN1 AC-9513 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 C[C@@H]1CNCCN1 AC-4396 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 C[C@@H]1CNCCO1 AC-26735 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.3 C[C@@H]1CNCCO1 AC-26736 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.3 C[C@@H]1COCCN1 AC-22431 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 C[C@H]1CCCCN1 AC-15354 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.3 C[C@H]1CCCNC1 AC-15332 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 C[C@H]1CNCCN1 AC-11883 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 C[C@H]1CNCCN1 AC-6756 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 C[C@H]1COCCN1 AC-22432 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.3 NC1CCCNC1 AC-13109 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 NC1CCCNC1 AC-876 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 NC1CCOCC1 AC-1959 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 NC1CCOCC1 AC-26798 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 NC1CCSCC1 AC-30455 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 N[C@H]1CCCNC1 AC-29157 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 N[C@H]1CCCOC1 AC-29355 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 O=C1C=CCCN1 AC-30520 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 OC1CCCNC1 AC-2559 [0,0,0,1,0,0|1,0,1]=3 49 B7R1.3 OC1CCCNC1 AC-26297 [0,0,0,1,0,0|1,0,1]=3 50 B7R1.3 OC1CCNCC1 AC-22474 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 O[C@H]1CCCNC1 AC-23872 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.24 C1CNCCNC1 AC-4548 [0,0,0,1,0,0|2,0,1]=4 57 B4R0.2 CCSCC AC-18108 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.2 CC[Zn]CC AC-1790 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.2 NCCCBr AC-150 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 NCCCCl AC-8352 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 C(Cl)CC(=O)OC AC-16132 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 CC(CO)CCN AC-31753 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.1 CCOC(=O)CN AC-24102 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.1 CNCC(O)CO AC-23234 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.1 COC(=O)CCN AC-22369 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 COC[C@@H](N)CO AC-13526 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.1 OCC[C@@H](O)CO AC-13918 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.1 OCC[C@H](O)CO AC-13895 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.4 CC(=O)NCCN AC-7474 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.4 CC(C)NCCCl AC-29461 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.4 CN(C)CCCO AC-359 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.4 O=C(O)\C=C\CBr AC-30328 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.4 OCCCNCCCO AC-515 [0,2,0,0,0,0|0,0,2]=4 74 B8R0.3 CCOC(=O)[C@@H](N)CS AC-19193 [0,2,0,0,0,0|1,1,0]=4 75 B8R0.3 C\C=C\C(=O)C(C)CC AC-33764 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.19 COC(=O)C[C@@H](O)CO AC-18662 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.5 CCOC(=O)C[C@@H](C)O AC-5700 [0,2,0,0,0,0|1,0,0]=3 78 B6R1.1 C1=CCOCC1 AC-33900 [1,0,0,1,0,0|0,0,0]=2 79 B6R1.1 C1CNCCN1 AC-18927 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.2 CC1CCCN1 AC-626 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.2 C[C@@H]1CCCN1 AC-6782 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.2 C[C@H]1CCCN1 AC-25577 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.2 F[C@@H]1CCNC1 AC-25611 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.2 NC1CC=CC1 AC-31017 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.2 NC1CCNC1 AC-13298 [1,0,0,1,0,0|2,0,0]=4 86 B6R1.2 NC1CCNC1 AC-28106 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.2 N[C@@H]1CCNC1 AC-13107 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.2 N[C@@H]1CCNC1 AC-3508 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.2 N[C@H]1CCNC1 AC-6713 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 N[C@H]1CCOC1 AC-31360 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 OC1CCNC1 AC-2443 [1,0,0,1,0,0|1,0,0]=3 92 B6R1.2 O[C@@H]1CCNC1 AC-13108 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 O[C@@H]1CCNC1 AC-6381 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.2 O[C@@H]1CCOC1 AC-13894 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.2 O[C@H]1CCNC1 AC-1127 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.2 O[C@H]1CCNC1 AC-27035 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.2 O[C@H]1CCOC1 AC-1844 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.2 O[C@H]1CCOC1 AC-491 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.3 CSCC1CO1 AC-9028 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.3 NCCC1CC1 AC-31186 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.3 NCCN1CC1 AC-9518 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.6 BrCC1CCC1 AC-19697 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.6 OCC1CCC1 AC-25568 [1,0,0,1,0,0|0,0,1]=3 104 B6R1.6 OCC1CNC1 AC-7925 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.2 COC1CCCNC1 AC-7886 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.2 NCC1COCCO1 AC-29687 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.2 OCC1CCCCN1 AC-22477 [0,1,0,1,0,0|0,0,2]=4 108 B8R1.2 OCC1CCCNC1 AC-22476 [0,1,0,1,0,0|0,0,2]=4 109 B8R1.2 OCC1CCNCC1 AC-22475 [0,1,0,1,0,0|0,0,2]=4 110 B8R1.2 OCC1CCOCC1 AC-26737 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.2 OCC1COCCN1 AC-3086 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.2 OC[C@@H]1COCCN1 AC-28902 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.2 OC[C@@H]1COCCO1 AC-29516 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.2 OC[C@H]1COCCO1 AC-29517 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.5 CC1NCCNC1=O AC-29652 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.5 C[C@@H]1NCCNC1=O AC-29443 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.5 C[C@H]1NCCNC1=O AC-29442 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.5 NC1COCCC1O AC-31581 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-6142 [0,1,0,1,0,0|0,0,2]=4 120 B8R1.5 N[C@H]1CCCC[C@H]1O AC-6141 [0,1,0,1,0,0|0,0,2]=4 121 B8R1.8 COC[C@@H]1CCCN1 AC-23477 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.8 COC[C@H]1CCCN1 AC-23478 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.8 OCCC1=CC=CS1 AC-6274 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.8 OCCC1=CNN=C1 AC-23295 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.8 OCCN1C=CN=C1 AC-7528 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.8 OCCN1CCCC1 AC-18883 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.11 CN1C=CN=C1CO AC-2915 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,1,0,1,0,0|0,0,2]=4 129 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.11 CN1N=CC=C1CO AC-33514 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.22 O=C1CCCNCC1 AC-862 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.22 O=C1CCNCCN1 AC-26733 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.22 OC1CCCNCC1 AC-4606 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.22 OC1CCCNCC1 AC-9043 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.49 C1=CCCC=CCC1 AC-1341 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.49 C1=CCCC=CCC1 AC-18121 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.49 C1=CCCC=CCC1 AC-2882 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.49 C1=CCCC=CCC1 AC-5521 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.49 C1=CCCC=CCC1 AC-5523 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.49 C1=CCCC=CCC1 AC-5534 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AC-24290 [0,1,0,1,0,0|0,0,0]=2 142 B8R1.1 O=C1CC(CO)CN1 AC-25592 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.1 O=C1CC[C@@H](CO)O1 AC-6630 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.1 O=C1CC[C@H](CO)N1 AC-4424 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.1 O=C1CC[C@H](CO)O1 AC-6629 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.3 CN1CCC(O)CC1 AC-15425 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.3 NC1CCC(O)CC1 AC-7142 [0,1,0,1,0,0|0,0,2]=4 148 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AC-33908 [0,1,0,1,0,0|0,0,2]=4 149 B8R1.3 N[C@H]1CC[C@H](O)CC1 AC-042 [0,1,0,1,0,0|0,0,2]=4 150 B8R1.4 CC1CNCC(C)O1 AC-1983 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AC-31124 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AC-1984 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-31121 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.4 NC1CCCC(O)C1 AC-1188 [0,1,0,1,0,0|0,0,2]=4 155 B8R1.4 NC1CCCC(O)C1 AC-29440 [0,1,0,1,0,0|0,0,2]=4 156 B8R1.4 NC1CCNC(=O)C1 AC-26388 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 NC1CCNC(=O)C1 AC-5057 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-2606 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.72 CC1(O)CCCCC1 AC-8843 [0,1,0,1,0,0|0,0,2]=4 161 B8R1.72 OC1(O)CCNCC1 AC-687 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.18 CC1=CC(=O)OC1O AC-505 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.37 CCOC(=O)C1CC1 AC-14440 [0,1,0,1,0,0|2,0,0]=4 164 B8R2.25 C1CCC2OC2C1 AC-293 [0,0,0,2,0,0|0,0,2]=4