0 B6R0.1 CC[C@H](N)CC#N Y13628 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.2 NC\C=C/CN C13830 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 CNC(=O)CCCO F10217 [0,1,0,0,0,0|1,0,0]=2 4 B7R0.3 COC(=O)\C=C\CN AT20735 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.10 C=C(OC)C(=O)OC 78623 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.11 CCC[C@](C)(N)CO D75112 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.11 CCS(=O)(=O)CC#N Y14645 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|1,0,1]=3 10 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|1,0,0]=2 12 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|1,0,0]=2 13 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.4 BrC1CCCC1Br D96921 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.4 C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|1,0,2]=4 42 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.8 CN1CC[C@@H]1CN P13166 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.8 NCC1CCC1F P18462 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.8 OCC1CCC1F P19725 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.8 OCC1CCC1O P20965 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.10 CCN1CC(N)C1 P12468 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.21 NC1(CCO)CC1 50078 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.25 NCC1(N)CCC1 D96796 [0,0,0,1,0,0|2,0,1]=4 54 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.2 O=C(O)CC(F)F P18472 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.9 C\C=C(\C=O)CC AC9866 [1,1,0,0,0,0|0,0,1]=3 60 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,2,0,0,0,0|0,0,2]=4 62 B8R0.22 CCCC(CBr)CCC 78361 [0,2,0,0,0,0|1,0,1]=4 63 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,2]=4 64 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|0,0,1]=3 81 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|0,0,0]=2 82 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|0,0,0]=2 83 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.4 NC1CCCC(F)C1 D96615 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,1,0,0|0,0,2]=4 90 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,1,0,0|0,0,2]=4 91 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,1,0,0|0,0,2]=4 94 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.2 CC[C@H]1CNCCN1 C12792 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,1,0,0|0,0,2]=4 98 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|0,0,0]=2 99 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|0,0,0]=2 100 B8R1.3 NC1CCC(F)CC1 AT11407 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,1,0,0|0,0,2]=4 109 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,1,0,0|0,0,2]=4 112 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.22 F[C@H]1CCCCNC1 72929 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.22 F[C@H]1CCCNCC1 72243 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.22 N[C@H]1CCCCNC1 32198 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.22 N[C@H]1CCCOCC1 33401 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.50 CC1CCC(C)C1N F12413 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.19 O=C1NCCC1(F)F 90055 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.11 CC1CCCC1CO 72730 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.48 NC[C@H]1CCS1(=O)=O P19377 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.48 O=S1(=O)CC[C@@H]1CO P19878 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,1,0,0|2,0,0]=4 137 B8R2.11 NC1C2CCCC12 P20766 [0,0,0,2,0,0|1,0,1]=4 138 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [0,0,0,2,0,0|1,0,1]=4 139 B8R2.55 C1CNC2(C1)CC2 38518 [0,0,0,2,0,0|1,0,1]=4 140 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|0,0,0]=2 141 B8R2.7 NC12CCC(C1)C2 P20285 [0,0,0,2,0,0|1,0,1]=4 142 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|1,0,0]=3 143 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,2,0,0|1,0,1]=4 144 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|0,0,0]=2 145 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|1,0,0]=3 146 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|0,0,2]=4 147 B8R2.19 N[C@H]1CCC12CC2 D76859 [0,0,0,2,0,0|1,0,1]=4 148 B8R2.41 BrC1(C2CC2)CC1 86481 [0,0,0,2,0,0|1,0,1]=4