0 B7R1.4 BrC1=C(Br)CCC1 AC-18439 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CC1OCCC1=O AC-8268 [0,0,0,0,0,0|0,1,0]=1 2 B7R1.4 CN1CCN=C1S AC-15625 [0,0,0,0,0,0|3,1,0]=4 3 B7R1.4 NC1CCNC1=O AC-29504 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 NC1CCSC1=O AC-31997 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 NN1CCOC1=O AC-33916 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.4 N[C@@H]1CCNC1=O AC-24599 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 N[C@@H]1CCNC1=O AC-29229 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 N[C@@H]1CONC1=O AC-4721 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 O=C1CCCC1Br AC-22966 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 O=C1OCCC1Br AC-18401 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 CC1=CC=CS1 AC-16543 [1,0,0,0,0,0|0,0,3]=4 18 B6R1.2 CC1CCCN1 AC-626 [1,0,0,0,0,0|1,0,1]=3 19 B6R1.2 C[C@@H]1CCCN1 AC-6782 [1,0,0,0,0,0|1,0,1]=3 20 B6R1.2 C[C@H]1CCCN1 AC-25577 [1,0,0,0,0,0|1,0,1]=3 21 B6R1.2 F[C@@H]1CCNC1 AC-25611 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 NC1=NCCC1 AC-23074 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=NCCS1 AC-8411 [1,0,0,0,0,0|2,0,1]=4 24 B6R1.2 NC1CCNC1 AC-13298 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 NC1CCNC1 AC-28106 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 N[C@@H]1CCNC1 AC-13107 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 N[C@@H]1CCNC1 AC-3508 [1,0,0,0,0,0|2,0,1]=4 28 B6R1.2 N[C@H]1CCNC1 AC-6713 [1,0,0,0,0,0|2,0,1]=4 29 B6R1.2 N[C@H]1CCOC1 AC-31360 [1,0,0,0,0,0|1,1,1]=4 30 B6R1.2 O=C1C=CSN1 AC-25099 [1,0,0,0,0,0|1,0,2]=4 31 B6R1.2 O=C1CC=NN1 AC-11517 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 O=C1CCNC1 AC-22609 [1,0,0,0,0,0|1,0,0]=2 33 B6R1.2 OC1CCNC1 AC-2443 [1,0,0,0,0,0|1,0,2]=4 34 B6R1.2 O[C@@H]1CCNC1 AC-13108 [1,0,0,0,0,0|1,0,2]=4 35 B6R1.2 O[C@@H]1CCNC1 AC-6381 [1,0,0,0,0,0|1,0,2]=4 36 B6R1.2 O[C@@H]1CCOC1 AC-13894 [1,0,0,0,0,0|0,1,2]=4 37 B6R1.2 O[C@H]1CCNC1 AC-1127 [1,0,0,0,0,0|1,0,2]=4 38 B6R1.2 O[C@H]1CCNC1 AC-27035 [1,0,0,0,0,0|1,0,2]=4 39 B6R1.2 O[C@H]1CCOC1 AC-1844 [1,0,0,0,0,0|0,1,2]=4 40 B6R1.2 O[C@H]1CCOC1 AC-491 [1,0,0,0,0,0|0,1,2]=4 41 B8R1.11 CN1CCC[C@@H]1CO AC-24076 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.11 CN1CCC[C@H]1CO AC-24075 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.11 N#CC1CSCC1=O AC-22788 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.50 CN1C(=O)CCC1=O AC-15701 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.50 O=C1CCC(=O)N1I AC-534 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.50 O=C1CCC(=O)N1O AC-10509 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.50 O=C1CCC(=O)N1O AC-15786 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.1 C(Cl)CC(=O)OC AC-16132 [0,0,1,0,0,0|2,0,0]=3 49 B6R0.1 CCOC(=O)CN AC-24102 [0,0,1,0,0,0|3,0,0]=4 50 B6R0.1 CNCC(=O)OC AC-8684 [0,0,1,0,0,0|3,0,0]=4 51 B6R0.1 COC(=O)CCN AC-22369 [0,0,1,0,0,0|2,0,0]=3 52 B6R0.3 CC(C)C(=O)NN AC-1522 [0,0,1,0,0,0|3,0,0]=4 53 B6R0.3 CCC(=O)C(=O)O AC-37023 [0,0,1,0,0,0|1,1,1]=4 54 B6R0.3 CCC(=O)C(=O)[O-] AC-37022 [0,0,1,0,0,0|1,1,1]=4 55 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [0,0,1,0,0,0|3,0,0]=4 56 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [0,0,1,0,0,0|3,0,0]=4 57 B6R0.3 CC[C@H](N)C(N)=O AC-23986 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.3 CN[C@@H](C)C(C)=O AC-24164 [0,0,1,0,0,0|1,0,0]=2 59 B6R0.3 CN[C@H](C)C(=O)O AC-24129 [0,0,1,0,0,0|2,0,0]=3 60 B6R0.3 COC(=O)[C@@H](C)N AC-8640 [0,0,1,0,0,0|2,0,0]=3 61 B6R0.3 COC(=O)[C@H](C)N AC-36702 [0,0,1,0,0,0|2,0,0]=3 62 B6R0.3 CO[C@H](C)C(=O)O AC-31869 [0,0,1,0,0,0|1,1,0]=3 63 B6R0.3 C[C@H](CO)C(=O)O AC-9519 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.3 C\C=C(\C)C(=O)O AC-30733 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [0,0,1,0,0,0|3,0,0]=4 66 B8R1.4 CC1CCNC(C)C1 AC-16581 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.4 CN1CCNC(=O)C1 AC-25624 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.4 C[C@H]1CN(C)CCN1 AC-30550 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.4 NC1CCNC(=O)C1 AC-26388 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.4 NC1CCNC(=O)C1 AC-5057 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.4 O=C1CC(O)CCN1 AC-7497 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [0,0,0,0,0,1|2,0,1]=4 73 B8R1.4 O=C1CCNC(=O)C1 AC-22759 [0,0,0,0,0,1|2,0,1]=4 74 B8R1.5 CC1=NCCCN1C AC-2940 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.5 CC1CNCCC1=O AC-29528 [0,0,0,0,0,1|1,0,0]=2 76 B8R1.5 CC1NCCNC1=O AC-29652 [0,0,0,0,0,1|1,0,0]=2 77 B8R1.5 C[C@@H]1CCCC[C@@H]1N AC-29596 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.5 C[C@@H]1CNCCN1C AC-30559 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 C[C@@H]1NCCNC1=O AC-29443 [0,0,0,0,0,1|1,0,0]=2 80 B8R1.5 C[C@H]1CCCC[C@H]1N AC-29595 [0,0,0,0,0,1|2,0,1]=4 81 B8R1.5 C[C@H]1CNCCN1C AC-30521 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.5 C[C@H]1NCCNC1=O AC-29442 [0,0,0,0,0,1|1,0,0]=2 83 B8R1.5 NN1CCCCC1=O AC-4305 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.5 N[C@H]1CCCNC1=O AC-29438 [0,0,0,0,0,1|2,0,0]=3 85 B8R1.5 O=C1CCNCC1F AC-8859 [0,0,0,0,0,1|2,0,0]=3 86 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.1 O=C(O)CCS AC-4722 [1,0,1,0,0,0|1,0,0]=3 88 B5R0.3 COC(=O)CF AC-590 [1,0,1,0,0,0|2,0,0]=4 89 B5R0.3 COC(=O)CN AC-19215 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.5 CC(Br)C(=O)O AC-190 [1,0,1,0,0,0|2,0,0]=4 91 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [1,0,1,0,0,0|2,0,0]=4 92 B5R0.5 C[C@H](N)C(=O)O AC-014 [1,0,1,0,0,0|2,0,0]=4 93 B5R0.5 C[C@H](N)C(=O)O AC-24031 [1,0,1,0,0,0|2,0,0]=4 94 B5R0.5 C[C@H](N)C(N)=O AC-24033 [1,0,1,0,0,0|2,0,0]=4 95 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [1,0,1,0,0,0|1,1,0]=4 96 B5R1.1 C1=CCNC1 AC-22446 [2,0,0,0,0,0|1,0,1]=4 97 B7R0.2 COC(=O)C[C@@H](C)O AC-25565 [0,1,1,0,0,0|1,1,0]=4 98 B7R0.2 COC(=O)C[C@H](C)O AC-25566 [0,1,1,0,0,0|1,1,0]=4 99 B7R0.5 CCCC(N)C(=O)O AC-24060 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.5 CCC[C@@H](N)C(=O)O AC-24059 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.5 CCC[C@H](N)C(=O)O AC-31149 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.7 CCOC(=O)CC=O AC-5296 [0,1,1,0,0,0|0,1,1]=4 103 B7R0.7 CCOC(=O)CCN AC-19163 [0,1,1,0,0,0|1,0,0]=3 104 B7R0.7 CCOC(=O)CNN AC-1387 [0,1,1,0,0,0|2,0,0]=4 105 B7R0.7 O=C(CCCl)CCCl AC-873 [0,1,1,0,0,0|1,0,0]=3 106 B7R0.10 COC(=O)C(N)CO AC-24068 [0,1,1,0,0,0|1,1,0]=4 107 B7R0.10 COC(=O)C(O)CO AC-33823 [0,1,1,0,0,0|1,1,0]=4 108 B7R0.10 COC(=O)[C@@H](C)CO AC-31279 [0,1,1,0,0,0|1,1,0]=4 109 B7R0.10 COC(=O)[C@@H](N)CS AC-8650 [0,1,1,0,0,0|1,0,0]=3 110 B7R0.10 COC(=O)[C@@H](O)CO AC-33821 [0,1,1,0,0,0|1,1,0]=4 111 B7R0.10 COC(=O)[C@H](C)CO AC-31278 [0,1,1,0,0,0|1,1,0]=4 112 B7R0.10 COC(=O)[C@H](N)CCl AC-26976 [0,1,1,0,0,0|2,0,0]=4 113 B7R0.10 COC(=O)[C@H](N)CO AC-22365 [0,1,1,0,0,0|1,1,0]=4 114 B7R0.10 COC(=O)[C@H](N)CO AC-22366 [0,1,1,0,0,0|1,1,0]=4 115 B7R0.10 COC(=O)[C@H](O)CO AC-33822 [0,1,1,0,0,0|1,1,0]=4 116 B7R0.12 CCN(CC)CCS AC-19101 [0,1,1,0,0,0|2,0,0]=4 117 B7R0.13 CC(=O)C(C)(C)CO AC-30558 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.13 CC[C@@](C)(N)C(=O)O AC-4457 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.13 CC[C@](C)(N)C(=O)O AC-4458 [0,1,1,0,0,0|2,0,0]=4 120 B7R0.14 CC(C)(C)C(=O)CN AC-3546 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.14 CC(C)(C)C(=O)CN AC-4641 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.14 COC(=O)C(C)(C)N AC-6771 [0,1,1,0,0,0|2,0,0]=4 123 B7R0.15 CC[C@H](CO)C(=O)O AC-9520 [0,1,1,0,0,0|2,0,0]=4 124 B7R0.4 NCCCCC(=O)O AC-6337 [0,1,1,0,0,0|2,0,0]=4 125 B7R0.4 O=C(O)CCCCBr AC-1769 [0,1,1,0,0,0|2,0,0]=4 126 B7R1.1 ClCC1CCCO1 AC-25685 [1,1,0,0,0,0|0,1,1]=4 127 B7R1.1 O=CC1=CCCC1 AC-33806 [1,1,0,0,0,0|1,0,1]=4 128 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [1,1,0,0,0,0|1,0,1]=4 129 B7R1.1 OC[C@H]1CCCN1 AC-23551 [1,1,0,0,0,0|1,0,1]=4 130 B7R1.2 CN1CCC(=O)C1 AC-7086 [1,1,0,0,0,0|1,0,0]=3 131 B7R1.2 NC1=NC(=O)CS1 AC-33843 [1,1,0,0,0,0|1,0,1]=4 132 B7R1.2 O=C1CCC(=O)C1 AC-1796 [1,1,0,0,0,0|1,0,0]=3 133 B7R1.2 O=C1CSC(=O)N1 AC-3453 [1,1,0,0,0,0|1,0,1]=4 134 B7R1.2 O=C1CSC(=S)N1 AC-18191 [1,1,0,0,0,0|1,0,1]=4 135 B7R1.2 O=C1C[C@@H](O)CO1 AC-13892 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [1,1,0,0,0,0|2,0,0]=4 137 B7R1.2 O=C1C[C@H](O)CO1 AC-13891 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.14 CC1(O)CCCC1 AC-8842 [1,1,0,0,0,0|1,0,1]=4 139 B9R1.40 CC1(C)CNCCC1=O AC-29497 [0,1,0,0,0,1|1,0,0]=3 140 B9R1.33 CCCN1CCCC1=O AC-24522 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.41 CC(=O)C1CCOC1=O AC-11752 [0,2,0,0,0,0|2,0,0]=4 142 B7R1.3 NC1CCSCC1 AC-30455 [0,0,1,1,0,0|1,0,1]=4 143 B7R1.3 O=C1CCCCN1 AC-33837 [0,0,1,1,0,0|2,0,0]=4 144 B7R1.3 O=C1CCCNC1 AC-1207 [0,0,1,1,0,0|2,0,0]=4 145 B7R1.3 O=C1CCNCC1 AC-30748 [0,0,1,1,0,0|1,0,0]=3 146 B7R1.3 O=C1CCSCC1 AC-1822 [0,0,1,1,0,0|0,0,0]=2 147 B7R1.12 CC1CC1C(=O)O AC-26542 [0,0,1,1,0,0|2,0,0]=4 148 B7R1.12 CC1CC1C(N)=O AC-31195 [0,0,1,1,0,0|2,0,0]=4 149 B7R1.18 NC(=O)C1CCC1 AC-29431 [0,0,1,1,0,0|2,0,0]=4 150 B7R1.18 O=C(O)C1CCC1 AC-27351 [0,0,1,1,0,0|2,0,0]=4 151 B7R1.18 O=C(O)C1CCN1 AC-23205 [0,0,1,1,0,0|2,0,0]=4 152 B7R1.18 O=C(O)C1CCN1 AC-23581 [0,0,1,1,0,0|2,0,0]=4 153 B7R1.18 O=C(O)C1CCN1 AC-5888 [0,0,1,1,0,0|2,0,0]=4 154 B7R1.18 O=C(O)C1CCO1 AC-28801 [0,0,1,1,0,0|1,1,0]=4 155 B7R1.18 O=C(O)[C@@H]1CCN1 AC-5699 [0,0,1,1,0,0|2,0,0]=4 156 B7R1.19 CC1(C(=O)O)CC1 AC-5063 [0,0,1,1,0,0|2,0,0]=4 157 B7R1.19 CC1(C(N)=O)CC1 AC-30447 [0,0,1,1,0,0|2,0,0]=4 158 B9R2.39 O=C1NC2C=CC1C2 AC-6114 [0,0,0,1,0,1|1,0,1]=4 159 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 AC-6113 [0,0,0,1,0,1|1,0,1]=4 160 B5R1.2 ClC1CCC1 AC-10054 [1,0,0,0,1,0|1,0,1]=4 161 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,0,1,0|0,0,0]=2 162 B9R1.49 CN1CCCC(=O)CC1 AC-2729 [0,0,0,0,0,2|2,0,0]=4 163 B9R1.5 NC1CCCCNC1=O AC-14462 [0,0,0,0,0,2|2,0,0]=4 164 B9R1.5 N[C@@H]1CCCCNC1=O AC-29489 [0,0,0,0,0,2|2,0,0]=4 165 B9R1.5 N[C@@H]1CCCCNC1=O AC-9116 [0,0,0,0,0,2|2,0,0]=4 166 B9R1.5 N[C@H]1CCCCNC1=O AC-1938 [0,0,0,0,0,2|2,0,0]=4 167 B9R1.5 N[C@H]1CCCCNC1=O AC-29490 [0,0,0,0,0,2|2,0,0]=4