0 B6R1.2 C=C1CCNC1 F13598 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 IC1=COCC1 P19286 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 NC1=NCCO1 53947 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 NN1CCCC1 F13227 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 NN1CCCC1 S12058 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 O=C1CNCN1 25530 [0,0,0,0,0,0|2,1,1]=4 15 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,0,0,0|1,1,0]=2 16 B6R1.2 O[C@H]1CNOC1 31712 [0,0,0,0,0,0|2,1,0]=3 17 B5R1.1 C1=CCSC1 F20684 [1,0,0,0,0,0|1,0,2]=4 18 B5R1.1 C1CNNC1 26256 [1,0,0,0,0,0|2,0,0]=3 19 B5R1.1 C1COCN1 A51210 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.1 COC1=CCCC1 D93350 [0,1,0,0,0,0|0,1,2]=4 28 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,0,0,0|1,1,0]=3 29 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,0,0,0|1,1,0]=3 30 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 N#C[C@H]1CCNC1 81493 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.1 N#C[C@H]1CCNC1 81538 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 N#C[C@H]1CCNC1 82703 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 NCC1CCCC1 P10292 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.1 NOC1CCCC1 97655 [0,1,0,0,0,0|0,1,0]=2 52 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,0,0,0|0,1,2]=4 53 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,0,0,0|1,1,0]=3 54 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,0,0,0|1,1,0]=3 56 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,0,0,0|1,1,0]=3 57 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,0,0,0|1,1,0]=3 58 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,0,0,0|1,1,0]=3 59 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,0,0,0|1,1,1]=4 61 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,0,0,0|1,1,1]=4 66 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,0,0,0|1,1,0]=3 67 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,0,0,0|1,1,1]=4 68 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,0,0,0|1,1,1]=4 69 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,0,0,0|0,1,0]=2 73 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,0,0,0|0,1,0]=2 74 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,0,0,0|0,1,0]=2 77 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,0,0,0|0,1,0]=2 78 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,0,0,0|0,1,0]=2 79 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,0,0,0|0,1,0]=2 80 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,0,0,0|0,1,0]=2 81 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,0,0,0|0,1,0]=2 82 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,0,0,0|1,1,1]=4 83 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,0,0,0|1,1,1]=4 84 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,0,0,0|1,1,1]=4 85 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,0,0,0|1,1,1]=4 86 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,0,0,0|0,1,0]=2 88 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,0,0,0|0,1,0]=2 89 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,0,0,0|0,1,0]=2 90 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,0,0,0|0,1,1]=3 91 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,0,0,0|1,1,1]=4 92 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,1,0,0,0,0|0,1,2]=4 93 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,0,0,0|0,1,0]=2 94 B7R1.4 BrC1=C(Br)CCC1 79351 [0,1,0,0,0,0|1,0,2]=4 95 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.4 CC1CNCC1C P18713 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,0,0,0|0,1,0]=2 99 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,0,0,0|1,1,0]=3 102 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,0,0,0|0,1,0]=2 103 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,0,0,0|1,1,0]=3 104 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.4 NC1CCCC1N F16273 [0,1,0,0,0,0|1,0,0]=2 108 B7R1.4 NC1COCC1O O11159 [0,1,0,0,0,0|1,1,0]=3 109 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,0,0,0|0,1,0]=2 110 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,1,0,0,0,0|1,1,0]=3 113 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,1,0,0,0,0|1,1,0]=3 114 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,0,0,0|1,0,0]=2 116 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,0,0,0|0,1,0]=2 117 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,0,0,0|1,0,0]=2 118 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,0,0,0|1,1,1]=4 119 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,0,0,0|1,1,1]=4 120 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,0,0,0|1,1,1]=4 121 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,0,0,0|1,1,1]=4 122 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,0,0,0|1,1,1]=4 123 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,1,0,0,0,0|1,1,0]=3 129 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,1,0,0,0,0|1,1,0]=3 130 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,1,0,0,0,0|1,1,0]=3 131 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,0,0,0|1,1,1]=4 132 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,0,0,0|1,1,1]=4 133 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,1,0,0,0,0|1,1,0]=3 134 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,0,0,0|0,1,2]=4 135 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,1,0,0,0,0|1,1,0]=3 136 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,1,0,0,0,0|1,1,0]=3 137 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,1,0,0,0,0|1,1,0]=3 138 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,1,0,0,0,0|1,1,0]=3 139 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,1,0,0,0,0|1,1,0]=3 140 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,1,0,0,0,0|1,1,0]=3 141 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.14 CC1(C)COCN1 FD10630 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,0,0,0|1,0,0]=2 147 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,0,0,0|1,1,0]=3 150 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,0,0,0|1,1,0]=3 151 B7R1.14 O=S1(=O)CCCO1 D77717 [0,1,0,0,0,0|2,1,0]=4 152 B5R0.1 C=CC[C@H](C)O 71459 [0,0,1,0,0,0|0,1,2]=4 153 B5R0.1 C=CC[C@H](C)O A12634 [0,0,1,0,0,0|0,1,2]=4 154 B5R0.1 CCC[C@H](C)N P14575 [0,0,1,0,0,0|1,0,0]=2 155 B5R0.1 CCC[C@H](C)N Y10887 [0,0,1,0,0,0|1,0,0]=2 156 B5R0.1 CN(C)CCO D93012 [0,0,1,0,0,0|3,0,0]=4 157 B5R0.1 CNCC(F)F D86102 [0,0,1,0,0,0|3,0,0]=4 158 B5R0.1 CNC[C@H](C)O AC1157 [0,0,1,0,0,0|1,1,0]=3 159 B5R0.1 CNC[C@H](C)O N12528 [0,0,1,0,0,0|1,1,0]=3 160 B5R0.1 COC[C@H](C)Br 78860 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.1 COC[C@H](C)N 25526 [0,0,1,0,0,0|2,0,0]=3 162 B5R0.1 COC[C@H](C)N D95458 [0,0,1,0,0,0|2,0,0]=3 163 B5R0.1 COC[C@H](C)N W17998 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.1 C[C@H](N)CC#N 12486 [0,0,1,0,0,0|2,0,1]=4 165 B5R0.1 C[C@H](O)CC#N 87623 [0,0,1,0,0,0|1,1,1]=4 166 B5R0.1 C[C@H](O)CCN 83616 [0,0,1,0,0,0|1,1,0]=3 167 B5R0.1 C[C@H](O)CON O10313 [0,0,1,0,0,0|2,1,0]=4 168 B5R0.1 C[S+](C)CCCl 77752 [0,0,1,0,0,0|3,0,0]=4 169 B5R0.1 NCCC(F)F D77085 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.1 OCCC(F)F P18054 [0,0,1,0,0,0|3,0,0]=4 171 B5R0.2 C#CCCCI C78094 [0,0,1,0,0,0|1,0,2]=4 172 B5R0.2 C#CCCCN 72839 [0,0,1,0,0,0|1,0,2]=4 173 B5R0.2 C#CCOCC C90311 [0,0,1,0,0,0|2,0,1]=4 174 B5R0.2 C=CCCNC W16107 [0,0,1,0,0,0|2,0,1]=4 175 B5R0.2 CCCCON 31644 [0,0,1,0,0,0|2,0,0]=3 176 B5R0.2 CNOCCN D97505 [0,0,1,0,0,0|3,0,0]=4 177 B5R0.2 COCCCO D77912 [0,0,1,0,0,0|1,1,0]=3 178 B5R0.2 NCCCCCl F19552 [0,0,1,0,0,0|2,0,0]=3 179 B5R0.2 NNCCCO AB9423 [0,0,1,0,0,0|2,1,0]=4 180 B5R0.2 O=CCCCO 55817 [0,0,1,0,0,0|1,1,1]=4 181 B5R0.3 CCC(=O)CN S11993 [0,0,1,0,0,0|1,1,1]=4 182 B5R0.3 CC[C@H](C)CN 88665 [0,0,1,0,0,0|2,0,0]=3 183 B5R0.3 CC[C@H](N)C#N 98383 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.3 CC[PH](=O)CC C77650 [0,0,1,0,0,0|1,1,0]=3 185 B5R0.3 CN[C@@H](C)CO AC8719 [0,0,1,0,0,0|3,0,0]=4 186 B5R0.3 CN[C@@H](C)CO C77593 [0,0,1,0,0,0|3,0,0]=4 187 B5R0.3 CN[C@@H](C)CO D80042 [0,0,1,0,0,0|3,0,0]=4 188 B5R0.3 CN[C@@H](C)CO D80344 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.3 CN[C@@H](C)CO D82586 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.3 CO[C@@H](C)CN 91001 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.3 CO[C@@H](C)CO 91002 [0,0,1,0,0,0|3,0,0]=4 192 B5R0.3 C[C@@H](CN)CCl 72948 [0,0,1,0,0,0|3,0,0]=4 193 B5R0.3 C[C@@H](CO)CBr AB3182 [0,0,1,0,0,0|3,0,0]=4 194 B5R0.3 FCC(I)CF AC4509 [0,0,1,0,0,0|3,0,0]=4 195 B5R0.3 NC[C@H](Br)CBr AC1488 [0,0,1,0,0,0|3,0,0]=4 196 B5R0.3 NC[C@H](F)CO 94841 [0,0,1,0,0,0|3,0,0]=4 197 B5R0.3 NC[C@H](F)CO 94845 [0,0,1,0,0,0|3,0,0]=4 198 B5R0.3 NC[C@H](F)CO 94846 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.3 NC[C@H](O)CCl C10413 [0,0,1,0,0,0|2,1,0]=4 200 B5R0.3 NC[C@H](O)CF 94771 [0,0,1,0,0,0|2,1,0]=4 201 B5R0.3 OC[C@H](O)CF 65949 [0,0,1,0,0,0|2,1,0]=4 202 B5R0.3 OC[C@H](O)CF F14582 [0,0,1,0,0,0|2,1,0]=4 203 B7R2.11 C1NC2CC1C2 37897 [0,0,0,1,0,0|2,0,0]=3 204 B7R2.13 C1CC2CC2N1 33368 [0,0,0,1,0,0|2,0,0]=3 205 B7R2.13 C1NCC2CC12 80426 [0,0,0,1,0,0|2,0,0]=3 206 B5R1.2 C=C1COC1 P17999 [0,0,0,0,1,0|2,0,1]=4 207 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,0,1,0|2,0,0]=3 208 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,0,1,0|2,0,0]=3 209 B5R1.2 ClC1CCC1 T70092 [0,0,0,0,1,0|1,0,0]=2 210 B5R1.2 ClC1CNC1 37968 [0,0,0,0,1,0|2,0,0]=3 211 B5R1.2 ClC1COC1 CS1986 [0,0,0,0,1,0|2,0,0]=3 212 B5R1.2 FC1CNC1 SC2901 [0,0,0,0,1,0|2,0,0]=3 213 B5R1.2 IC1CCC1 P17114 [0,0,0,0,1,0|1,0,0]=2 214 B5R1.2 NC1CSC1 39038 [0,0,0,0,1,0|2,0,0]=3 215 B5R1.2 SC1CNC1 38596 [0,0,0,0,1,0|1,0,0]=2 216 B5R1.2 SC1COC1 32902 [0,0,0,0,1,0|1,0,0]=2 217 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,0,0,1|1,0,2]=4 218 B7R1.3 BrC1=CCOCC1 C90119 [0,0,0,0,0,1|1,0,2]=4 219 B7R1.3 C=C1CCNCC1 88914 [0,0,0,0,0,1|1,0,1]=3 220 B7R1.3 C=C1CCOCC1 84295 [0,0,0,0,0,1|1,0,1]=3 221 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,0,0,1|1,0,2]=4 222 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,0,0,1|1,0,0]=2 223 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,0,0,1|1,0,0]=2 224 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,0,0,1|2,0,0]=3 225 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,0,0,1|2,0,0]=3 226 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,0,0,1|2,0,0]=3 227 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,0,0,1|1,0,2]=4 230 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,0,0,1|1,0,0]=2 231 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,0,0,1|1,0,0]=2 232 B7R1.3 NC1=NCCCN1 AC1271 [0,0,0,0,0,1|2,0,1]=4 233 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,0,0,1|1,0,1]=3 234 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,0,0,1|1,0,0]=2 235 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,0,0,1|1,0,0]=2 236 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,0,0,1|0,1,1]=3 237 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,0,0,1|1,1,1]=4 238 B7R1.3 O=C1CSCCN1 23643 [0,0,0,0,0,1|1,1,1]=4 239 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,0,0,1|0,1,2]=4 240 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,0,0,1|1,1,0]=3 241 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,0,0,1|0,1,0]=2 242 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,0,0,1|0,1,0]=2 243 B7R1.3 SC1CCNCC1 39018 [0,0,0,0,0,1|0,0,0]=1 244 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,0,0,1|0,0,0]=1 245 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,0,0,1|0,0,0]=1 246 B4R0.1 CC(C)CBr P19652 [1,0,1,0,0,0|2,0,0]=4 247 B4R0.1 CC[C@H](C)N 74047 [1,0,1,0,0,0|1,0,0]=3 248 B4R0.1 C[C@H](Br)CN F11189 [1,0,1,0,0,0|2,0,0]=4 249 B4R0.1 C[C@H](Br)CO W17591 [1,0,1,0,0,0|2,0,0]=4 250 B4R0.1 C[C@H](Cl)CN Y14715 [1,0,1,0,0,0|2,0,0]=4 251 B4R0.1 C[C@H](N)CF AC1136 [1,0,1,0,0,0|2,0,0]=4 252 B4R0.1 C[C@H](N)CF AC6177 [1,0,1,0,0,0|2,0,0]=4 253 B4R0.2 BrCCCBr D77913 [1,0,1,0,0,0|2,0,0]=4 254 B4R0.2 CCCCN T70838 [1,0,1,0,0,0|1,0,0]=3 255 B4R0.2 CCONC AT14498 [1,0,1,0,0,0|2,0,0]=4 256 B4R0.2 COCCI A50601 [1,0,1,0,0,0|2,0,0]=4 257 B4R0.2 CSCCN D73275 [1,0,1,0,0,0|2,0,0]=4 258 B4R0.2 NCCCF 61303 [1,0,1,0,0,0|2,0,0]=4 259 B4R0.2 NCCCN T70045 [1,0,1,0,0,0|2,0,0]=4 260 B4R0.2 NCCCS A11074 [1,0,1,0,0,0|1,0,0]=3 261 B4R0.2 OCCCO D77845 [1,0,1,0,0,0|1,1,0]=4 262 B4R0.2 OCCCS D78398 [1,0,1,0,0,0|1,0,0]=3 263 B4R0.2 SCCCBr 77989 [1,0,1,0,0,0|1,0,0]=3 264 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,1,0,0,0|1,0,0]=3 265 B6R0.1 CCC[C@H](N)CO C13482 [0,1,1,0,0,0|1,0,0]=3 266 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,1,0,0,0|1,1,0]=4 267 B6R0.1 CC[C@H](S)CCO D84734 [0,1,1,0,0,0|1,0,0]=3 268 B6R0.1 COC[C@@H](O)CN 94767 [0,1,1,0,0,0|1,1,0]=4 269 B6R0.1 NCC[C@H](O)CO F51073 [0,1,1,0,0,0|1,1,0]=4 270 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,1,0,0,0|2,0,0]=4 271 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,1,0,0,0|2,0,0]=4 272 B6R0.1 N[C@H](CS)CCS F52529 [0,1,1,0,0,0|2,0,0]=4 273 B6R0.2 CC(Br)CC(C)Br T70499 [0,1,1,0,0,0|1,0,0]=3 274 B6R0.2 C[C@H](N)CN(C)C 76720 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.2 C[C@H](O)CN(C)C A11394 [0,1,1,0,0,0|1,1,0]=4 276 B6R0.3 CC(C)[C@@H](C)CO D93394 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [0,1,1,0,0,0|0,1,0]=3 278 B6R0.4 C=C(C)CCCBr 71968 [0,1,1,0,0,0|1,0,1]=4 279 B6R0.4 CC(=O)CCCBr 25631 [0,1,1,0,0,0|0,1,1]=4 280 B6R0.4 CC(C)CCC=O 31143 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.4 CC(C)OCCBr 33996 [0,1,1,0,0,0|2,0,0]=4 282 B6R0.4 CC(C)OCCN T71353 [0,1,1,0,0,0|2,0,0]=4 283 B6R0.4 CCOC[C@H](C)N 75202 [0,1,1,0,0,0|1,0,0]=3 284 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,1,0,0,0|1,0,0]=3 285 B6R0.5 CC(C)(C)CCI D86336 [0,1,1,0,0,0|2,0,0]=4 286 B6R0.5 CC(C)(F)CCN W17442 [0,1,1,0,0,0|2,0,0]=4 287 B6R0.5 CC(C)(O)CCN A51232 [0,1,1,0,0,0|1,1,0]=4 288 B6R0.5 CNCC(C)(C)F 85781 [0,1,1,0,0,0|2,0,0]=4 289 B6R0.6 BrCCNCCBr 35649 [0,1,1,0,0,0|2,0,0]=4 290 B6R0.6 C#CCCCCI C74272 [0,1,1,0,0,0|1,0,1]=4 291 B6R0.6 C#CCCCCN 79352 [0,1,1,0,0,0|1,0,1]=4 292 B6R0.6 CC#CCCCO W16152 [0,1,1,0,0,0|0,1,1]=4 293 B6R0.6 CCOCCCBr A11082 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.6 CCOCCON W15834 [0,1,1,0,0,0|1,1,0]=4 295 B6R0.6 CC\C=C/CCI 98107 [0,1,1,0,0,0|1,0,1]=4 296 B6R0.6 CNCCCCBr C74879 [0,1,1,0,0,0|1,0,0]=3 297 B6R0.6 CNCCCCN D80538 [0,1,1,0,0,0|1,0,0]=3 298 B6R0.6 ClCCOCCI 12079 [0,1,1,0,0,0|2,0,0]=4 299 B6R0.6 N#CCCCCBr D77353 [0,1,1,0,0,0|1,0,1]=4 300 B6R0.6 NCCCCCBr 97997 [0,1,1,0,0,0|1,0,0]=3 301 B6R0.6 NCCNCCN D81398 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.6 OCCCCCO D77911 [0,1,1,0,0,0|0,1,0]=3 303 B6R0.6 OCCOCCF AT25497 [0,1,1,0,0,0|1,1,0]=4 304 B6R0.9 CCC(C#N)CC AC1599 [0,1,1,0,0,0|1,0,0]=3 305 B6R0.9 CCC(CBr)CBr W17735 [0,1,1,0,0,0|2,0,0]=4 306 B6R0.9 CCN(C#N)CC A12695 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.9 CC[C@@H](CN)CO Y13480 [0,1,1,0,0,0|1,1,0]=4 308 B6R1.4 CC1NCC1F P20228 [0,1,0,0,1,0|2,0,0]=4 309 B6R1.4 CC1OCC1O P16543 [0,1,0,0,1,0|1,1,0]=4 310 B6R1.4 C[C@H]1CCC1=O W18267 [0,1,0,0,1,0|0,1,1]=4 311 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,1,0,0,1,0|2,0,0]=4 312 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,1,0,0,1,0|1,1,0]=4 313 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,1,0,0,1,0|1,1,0]=4 314 B6R1.4 NC1CCC1F P20418 [0,1,0,0,1,0|1,0,0]=3 315 B6R1.4 NC1CCC1O 94999 [0,1,0,0,1,0|0,1,0]=3 316 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,1,0,0,1,0|0,1,0]=3 317 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,1,0,0,1,0|0,1,1]=4 318 B6R1.4 OC1CCC1O D79179 [0,1,0,0,1,0|0,1,0]=3 319 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,1,0,0,1,0|0,1,0]=3 320 B6R1.5 CC1CC(=O)C1 P12177 [0,1,0,0,1,0|0,1,1]=4 321 B6R1.5 CC1CC(N)C1 72358 [0,1,0,0,1,0|1,0,0]=3 322 B6R1.5 CN1CC(Cl)C1 P18477 [0,1,0,0,1,0|2,0,0]=4 323 B6R1.5 CN1CC(N)C1 37022 [0,1,0,0,1,0|2,0,0]=4 324 B6R1.5 CN1CC(O)C1 37023 [0,1,0,0,1,0|1,1,0]=4 325 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,1,0,0,1,0|1,0,0]=3 326 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,1,0,0,1,0|1,0,0]=3 327 B6R1.5 NC1CC(F)C1 80871 [0,1,0,0,1,0|1,0,0]=3 328 B6R1.5 NC1CC(N)C1 38579 [0,1,0,0,1,0|1,0,0]=3 329 B6R1.5 NN1CC(O)C1 P15912 [0,1,0,0,1,0|1,1,0]=4 330 B6R1.5 N[C@H]1C[C@@H](F)C1 P16188 [0,1,0,0,1,0|1,0,0]=3 331 B6R1.5 N[C@H]1C[C@@H](N)C1 38580 [0,1,0,0,1,0|1,0,0]=3 332 B6R1.5 N[C@H]1C[C@H](O)C1 31135 [0,1,0,0,1,0|0,1,0]=3 333 B6R1.5 O=C1CC(O)C1 P12929 [0,1,0,0,1,0|0,1,1]=4 334 B6R1.5 OC1CC(F)C1 80872 [0,1,0,0,1,0|0,1,0]=3 335 B6R1.5 OC1CC(O)C1 P18335 [0,1,0,0,1,0|0,1,0]=3 336 B6R1.5 O[C@H]1C[C@@H](O)C1 P20298 [0,1,0,0,1,0|0,1,0]=3 337 B6R1.5 O[C@H]1C[C@H](F)C1 38850 [0,1,0,0,1,0|0,1,0]=3 338 B6R1.6 BrC[C@H]1CCO1 28585 [0,1,0,0,1,0|2,0,0]=4 339 B6R1.6 BrC[C@H]1CCO1 D97141 [0,1,0,0,1,0|2,0,0]=4 340 B6R1.6 BrC[C@H]1CCO1 P21121 [0,1,0,0,1,0|2,0,0]=4 341 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,1,0,0,1,0|2,0,0]=4 342 B6R1.6 CNC1CCC1 20929 [0,1,0,0,1,0|1,0,0]=3 343 B6R1.6 CSC1CNC1 37205 [0,1,0,0,1,0|1,0,0]=3 344 B6R1.6 FCC1CNC1 86811 [0,1,0,0,1,0|2,0,0]=4 345 B6R1.6 N#CC1CNC1 CS1269 [0,1,0,0,1,0|2,0,0]=4 346 B6R1.6 N#CC1COC1 81313 [0,1,0,0,1,0|2,0,0]=4 347 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,1,0,0,1,0|2,0,0]=4 348 B6R1.6 NCC1CNC1 26899 [0,1,0,0,1,0|2,0,0]=4 349 B6R1.6 NC[C@H]1CCN1 20184 [0,1,0,0,1,0|2,0,0]=4 350 B6R1.6 NC[C@H]1CCO1 P20441 [0,1,0,0,1,0|2,0,0]=4 351 B6R1.6 NNC1CCC1 AB1362 [0,1,0,0,1,0|1,0,0]=3 352 B6R1.6 NNC1CCC1 BL010353 [0,1,0,0,1,0|1,0,0]=3 353 B6R1.6 NNC1CNC1 BL010350 [0,1,0,0,1,0|2,0,0]=4 354 B6R1.6 NNC1COC1 BL010351 [0,1,0,0,1,0|2,0,0]=4 355 B6R1.6 NNC1CSC1 BL010352 [0,1,0,0,1,0|2,0,0]=4 356 B6R1.6 O=CC1COC1 84841 [0,1,0,0,1,0|1,1,0]=4 357 B6R1.6 OCC1CNC1 65945 [0,1,0,0,1,0|1,1,0]=4 358 B6R1.6 OC[C@H]1CCN1 36269 [0,1,0,0,1,0|1,1,0]=4 359 B6R1.6 OC[C@H]1CCN1 38353 [0,1,0,0,1,0|1,1,0]=4 360 B6R1.6 OC[C@H]1CCN1 38354 [0,1,0,0,1,0|1,1,0]=4 361 B6R1.6 OC[C@H]1CCO1 26540 [0,1,0,0,1,0|1,1,0]=4 362 B6R1.6 OC[C@H]1CCO1 AT10832 [0,1,0,0,1,0|1,1,0]=4 363 B6R1.6 OC[C@H]1CCO1 P19736 [0,1,0,0,1,0|1,1,0]=4 364 B6R1.10 CC1(F)CNC1 88058 [0,1,0,0,1,0|2,0,0]=4 365 B6R1.10 CC1(N)CCC1 P10590 [0,1,0,0,1,0|1,0,0]=3 366 B6R1.10 CC1(N)CCC1 P10892 [0,1,0,0,1,0|1,0,0]=3 367 B6R1.10 CC1(N)COC1 52948 [0,1,0,0,1,0|2,0,0]=4 368 B6R1.10 CC1(N)CSC1 P16047 [0,1,0,0,1,0|2,0,0]=4 369 B6R1.10 CC1(O)CCC1 83777 [0,1,0,0,1,0|0,1,0]=3 370 B6R1.10 CC1(O)CNC1 54439 [0,1,0,0,1,0|1,1,0]=4 371 B6R1.10 CC1(O)CSC1 P15377 [0,1,0,0,1,0|1,1,0]=4 372 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,0,0,1|1,0,0]=3 374 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,0,0,1|1,0,0]=3 376 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,0,0,1|1,0,0]=3 377 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,0,0,1|1,0,0]=3 378 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,0,0,1|1,0,0]=3 380 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,0,0,1|0,1,1]=4 389 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,0,0,1|1,0,0]=3 393 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,0,0,1|1,0,0]=3 394 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,0,0,1|1,0,0]=3 395 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,0,0,1|1,0,0]=3 397 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.2 N#CN1CCCCC1 A12086 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,0,0,1|1,0,0]=3 401 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,0,0,1|1,0,0]=3 403 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,0,0,1|1,0,0]=3 404 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,0,0,1|1,0,0]=3 410 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,0,0,1|1,0,0]=3 411 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,0,0,1|1,0,0]=3 412 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,0,0,1|1,0,0]=3 415 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,0,0,1|1,0,0]=3 418 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,0,0,1|1,0,0]=3 419 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,0,0,1|1,0,0]=3 421 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,0,0,1|1,1,0]=4 422 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,0,0,1|0,1,0]=3 423 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,0,0,1|0,1,0]=3 424 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,0,0,1|1,1,0]=4 425 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,0,0,1|0,1,0]=3 426 B8R1.2 O=NN1CCOCC1 T72681 [0,1,0,0,0,1|1,1,0]=4 427 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,0,0,1|0,1,0]=3 428 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,0,0,1|0,1,0]=3 429 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,0,0,1|0,1,0]=3 430 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,0,0,1|0,1,0]=3 431 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,0,0,1|1,1,0]=4 432 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,0,0,1|1,1,0]=4 433 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,0,0,1|1,1,0]=4 434 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,0,0,1|1,1,0]=4 435 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,0,0,1|1,1,0]=4 436 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,0,0,1|1,1,0]=4 437 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,0,0,1|1,1,0]=4 438 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,0,0,1|1,1,0]=4 439 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,0,0,1|1,1,0]=4 440 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,0,0,1|0,1,0]=3 442 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,1,0,0,0,1|0,1,1]=4 443 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,0,0,1|0,1,0]=3 444 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,1,0,0,0,1|0,1,1]=4 450 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,1,0,0,0,1|0,1,1]=4 451 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,1,0,0,0,1|0,1,1]=4 452 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,0,0,1|1,0,0]=3 455 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,1,0,0,0,1|0,1,1]=4 456 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,0,0,1|0,1,1]=4 457 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,0,0,1|0,1,1]=4 458 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,0,0,1|0,1,0]=3 459 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,0,0,1|1,0,0]=3 460 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,0,0,1|1,0,0]=3 461 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,0,0,1|0,1,0]=3 462 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,0,0,1|0,1,0]=3 463 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,0,0,1|0,1,0]=3 465 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.4 CN1CCCC(=O)C1 S10664 [0,1,0,0,0,1|0,1,1]=4 467 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,0,0,1|1,0,0]=3 469 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,0,0,1|1,0,0]=3 470 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,0,0,1|1,0,0]=3 471 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,0,0,1|1,0,0]=3 473 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,0,0,1|0,1,1]=4 474 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,0,0,1|0,1,1]=4 475 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,0,0,1|0,1,1]=4 476 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,0,0,1|0,1,1]=4 477 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,1,0,0,0,1|0,1,1]=4 478 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,0,0,1|0,1,0]=3 492 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,0,0,1|0,1,0]=3 493 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,0,0,1|0,1,0]=3 494 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,0,0,1|0,1,0]=3 495 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,0,0,1|1,0,0]=3 496 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,0,0,1|1,0,0]=3 498 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,0,0,1|1,0,0]=3 499 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,0,0,1|0,1,0]=3 500 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,0,0,1|0,1,0]=3 501 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,1,0,0,0,1|0,1,1]=4 502 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,0,0,1|0,1,1]=4 503 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,0,0,1|0,1,1]=4 504 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,0,0,1|0,1,0]=3 505 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,0,0,1|0,1,0]=3 506 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,0,0,1|0,1,0]=3 507 B8R1.5 CC1CCNCC1O 38882 [0,1,0,0,0,1|0,1,0]=3 508 B8R1.5 CC1CNCCC1O 20765 [0,1,0,0,0,1|0,1,0]=3 509 B8R1.5 CC1CNCCC1O 33365 [0,1,0,0,0,1|0,1,0]=3 510 B8R1.5 CC1COCCC1N 33469 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.5 CC1NCCOC1C F12405 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,0,0,1|1,0,0]=3 513 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,0,0,1|1,0,0]=3 514 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,0,0,1|1,0,0]=3 515 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,0,0,1|1,0,0]=3 516 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,0,0,1|1,0,0]=3 517 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,0,0,1|0,1,1]=4 518 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,0,0,1|0,1,0]=3 519 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,0,0,1|0,1,0]=3 523 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,0,0,1|0,1,1]=4 524 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,0,0,1|0,1,1]=4 526 B8R1.5 NC1CCOCC1O P16839 [0,1,0,0,0,1|0,1,0]=3 527 B8R1.5 NN1CCCCC1=O C74639 [0,1,0,0,0,1|0,1,1]=4 528 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,0,0,1|1,0,0]=3 529 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,0,0,1|0,1,0]=3 530 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,0,0,1|0,1,0]=3 531 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,0,0,1|0,1,0]=3 532 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16351 [0,1,0,0,0,1|1,0,1]=4 533 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,0,0,1|1,0,0]=3 538 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,1,0,0,0,1|0,1,1]=4 540 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,1,0,0,0,1|0,1,1]=4 541 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,0,0,1|0,1,0]=3 544 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,0,0,1|0,1,0]=3 545 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,0,0,1|0,1,0]=3 546 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,0,0,1|0,1,0]=3 548 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,1,0,0,0,1|0,1,1]=4 549 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,1,0,0,0,1|0,1,1]=4 550 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,0,0,1|0,1,1]=4 551 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,0,0,1|0,1,1]=4 552 B8R1.5 OC1CCOCC1F P14713 [0,1,0,0,0,1|0,1,0]=3 553 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,0,0,1|0,1,0]=3 554 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,0,0,1|0,1,0]=3 555 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,0,0,1|0,1,0]=3 556 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,0,0,1|0,1,0]=3 557 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,0,0,1|0,1,0]=3 558 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,0,0,1|0,1,0]=3 559 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,0,0,1|0,1,0]=3 560 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,0,0,1|0,1,0]=3 561 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,0,0,1|0,1,0]=3 562 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,0,0,1|0,1,0]=3 563 B8R1.5 O[C@H]1CSSC[C@@H]1O D82089 [0,1,0,0,0,1|1,1,0]=4 564 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,0,0,1|0,1,0]=3 571 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,0,0,1|0,1,0]=3 572 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,0,0,1|0,1,0]=3 573 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,0,0,1|0,1,0]=3 574 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,0,0,1|0,1,0]=3 575 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.72 C[Si]1(C)CCNCC1 P12584 [0,1,0,0,0,1|1,1,0]=4 577 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,0,0,1|1,0,0]=3 578 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,2,0,0,0,0|2,0,0]=4 580 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,2,0,0,0,0|1,1,0]=4 583 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,2,0,0,0,0|1,1,0]=4 584 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.1 COC1CCC(N)C1 33463 [0,2,0,0,0,0|0,1,0]=3 586 B8R1.1 COC1CCC(O)C1 P19125 [0,2,0,0,0,0|0,1,0]=3 587 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,2,0,0,0,0|0,1,0]=3 588 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,2,0,0,0,0|0,1,0]=3 589 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,2,0,0,0,0|1,1,0]=4 590 B8R1.1 N#CC1CCC(O)C1 W19383 [0,2,0,0,0,0|0,1,0]=3 591 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,2,0,0,0,0|0,1,0]=3 592 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,2,0,0,0,0|0,1,1]=4 593 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,2,0,0,0,0|0,1,0]=3 594 B8R1.1 NCC1CCC(F)C1 72980 [0,2,0,0,0,0|1,0,0]=3 595 B8R1.1 NCC1CCC(O)C1 72949 [0,2,0,0,0,0|0,1,0]=3 596 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,2,0,0,0,0|1,0,0]=3 597 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,2,0,0,0,0|1,1,0]=4 598 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,2,0,0,0,0|0,1,1]=4 599 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,2,0,0,0,0|1,1,0]=4 600 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,2,0,0,0,0|1,1,0]=4 601 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,2,0,0,0,0|1,1,0]=4 602 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,2,0,0,0,0|2,0,0]=4 604 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,2,0,0,0,0|2,0,0]=4 605 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,2,0,0,0,0|2,0,0]=4 606 B8R1.7 CN(C)[C@H]1CCNC1 68459 [0,2,0,0,0,0|2,0,0]=4 607 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,2,0,0,0,0|1,0,0]=3 609 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,2,0,0,0,0|2,0,0]=4 611 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,2,0,0,0,0|2,0,0]=4 613 B8R1.7 NC(=O)N1CCCC1 32811 [0,2,0,0,0,0|1,1,0]=4 614 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,2,0,0,0,0|1,1,0]=4 615 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,2,0,0,0,0|1,1,0]=4 616 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,2,0,0,0,0|1,1,0]=4 617 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,2,0,0,0,0|1,1,0]=4 618 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,2,0,0,0,0|1,1,0]=4 619 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,2,0,0,0,0|1,1,0]=4 620 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,2,0,0,0,0|1,1,0]=4 621 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,2,0,0,0,0|1,1,0]=4 622 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,2,0,0,0,0|1,1,0]=4 623 B8R1.8 BrCCC1CCCC1 C78009 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.8 C#CCN1CCCC1 98376 [0,2,0,0,0,0|2,0,0]=4 625 B8R1.8 C#CCN1CCCC1 W15840 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,2,0,0,0,0|2,0,0]=4 627 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,2,0,0,0,0|2,0,0]=4 628 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,2,0,0,0,0|1,1,0]=4 630 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.8 COC[C@H]1CCCN1 11152 [0,2,0,0,0,0|1,1,0]=4 632 B8R1.8 COC[C@H]1CCCN1 11153 [0,2,0,0,0,0|1,1,0]=4 633 B8R1.8 COC[C@H]1CCCN1 71289 [0,2,0,0,0,0|1,1,0]=4 634 B8R1.8 COC[C@H]1CCNC1 72010 [0,2,0,0,0,0|1,1,0]=4 635 B8R1.8 COC[C@H]1CCNC1 P10622 [0,2,0,0,0,0|1,1,0]=4 636 B8R1.8 COC[C@H]1CCNC1 P12588 [0,2,0,0,0,0|1,1,0]=4 637 B8R1.8 COC[C@H]1CCNC1 P15249 [0,2,0,0,0,0|1,1,0]=4 638 B8R1.8 COC[C@H]1CCNC1 P15255 [0,2,0,0,0,0|1,1,0]=4 639 B8R1.8 ClCCC1CCCC1 AC1057 [0,2,0,0,0,0|1,0,0]=3 640 B8R1.8 N#CC=C1CCCC1 20860 [0,2,0,0,0,0|1,0,1]=4 641 B8R1.8 NNCC1CCCC1 P11240 [0,2,0,0,0,0|1,0,0]=3 642 B8R1.8 O=CCC1CCCC1 F11683 [0,2,0,0,0,0|0,1,0]=3 643 B8R1.8 OCC[C@H]1CCCN1 50275 [0,2,0,0,0,0|1,1,0]=4 644 B8R1.8 OCC[C@H]1CCCN1 62964 [0,2,0,0,0,0|1,1,0]=4 645 B8R1.11 C#CC1CCCC1O 30575 [0,2,0,0,0,0|0,1,0]=3 646 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,2,0,0,0,0|0,1,0]=3 650 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,2,0,0,0,0|0,1,0]=3 651 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,2,0,0,0,0|0,1,0]=3 652 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,2,0,0,0,0|1,1,0]=4 653 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,2,0,0,0,0|1,1,0]=4 654 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,2,0,0,0,0|1,1,0]=4 655 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,2,0,0,0,0|1,1,0]=4 656 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,2,0,0,0,0|1,1,0]=4 657 B8R1.11 NCC1CCCC1N F20645 [0,2,0,0,0,0|1,0,0]=3 658 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,2,0,0,0,0|1,1,0]=4 659 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,2,0,0,0,0|0,1,1]=4 660 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,2,0,0,0,0|1,1,0]=4 661 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,2,0,0,0,0|0,1,1]=4 662 B8R1.11 OCC1CNCC1O 73097 [0,2,0,0,0,0|1,1,0]=4 663 B8R1.52 C#C[C@]1(O)CCOC1 P12903 [0,2,0,0,0,0|1,1,0]=4 664 B8R1.52 CC1(C=O)CCCC1 90941 [0,2,0,0,0,0|0,1,0]=3 665 B8R1.52 CC1(CN)CCCC1 72592 [0,2,0,0,0,0|1,0,0]=3 666 B8R1.52 CC1(CO)CCCC1 90940 [0,2,0,0,0,0|0,1,0]=3 667 B8R1.52 C[C@]1(C#N)CCNC1 53344 [0,2,0,0,0,0|2,0,0]=4 668 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,2,0,0,0,0|2,0,0]=4 671 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,2,0,0,0,0|1,1,0]=4 672 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,2,0,0,0,0|1,1,0]=4 673 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,2,0,0,0,0|1,1,0]=4 674 B8R1.52 N#C[C@]1(F)CCNC1 53346 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.52 NCC1(O)CCCC1 37961 [0,2,0,0,0,0|0,1,0]=3 676 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,2,0,0,0,0|1,1,0]=4 677 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,2,0,0,0,0|1,1,0]=4 678 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,2,0,0,0,0|1,1,0]=4 679 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,2,0,0,0,0|1,1,0]=4 680 B8R1.50 OC1OC[C@@H](O)[C@@H]1O T73097 [0,2,0,0,0,0|1,1,0]=4 681 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,2,0,0,0,0|0,1,1]=4 682 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,2,0,0,0,0|1,0,0]=3 683 B8R1.51 N[C@H]1CCC(F)(F)C1 80165 [0,2,0,0,0,0|1,0,0]=3 684 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12856 [0,2,0,0,0,0|1,1,0]=4 685 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,2,0,0,0,0|1,1,0]=4 686 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,2,0,0,0,0|0,1,0]=3 687 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,2,0,0,0,0|0,1,0]=3 688 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,2,0,0,0,0|1,1,0]=4 689 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,2,0,0,0,0|0,1,0]=3 690 B8R1.19 N[C@H]1CCCC1(F)F W10037 [0,2,0,0,0,0|1,0,0]=3 691 B8R1.19 O[C@H]1CNCC1(F)F P14305 [0,2,0,0,0,0|1,1,0]=4 692 B8R1.19 O[C@H]1COCC1(F)F D97022 [0,2,0,0,0,0|1,1,0]=4 693 B6R1.3 BrCCC1CC1 32177 [0,0,1,1,0,0|2,0,0]=4 694 B6R1.3 BrCC[C@H]1CO1 F20905 [0,0,1,1,0,0|1,1,0]=4 695 B6R1.3 CNCC1CC1 P11100 [0,0,1,1,0,0|2,0,0]=4 696 B6R1.3 ICCC1CC1 73383 [0,0,1,1,0,0|2,0,0]=4 697 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,1,1,0,0|2,0,0]=4 698 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,1,1,0,0|2,0,0]=4 699 B6R1.9 CC1(C)C[C@@H]1N 69330 [0,0,1,1,0,0|2,0,0]=4 700 B6R1.11 C[C@H](N)C1CC1 N10509 [0,0,1,1,0,0|1,0,0]=3 701 B6R1.11 C[C@H](N)C1CC1 W12229 [0,0,1,1,0,0|1,0,0]=3 702 B6R1.11 C[C@H](O)C1CC1 C77522 [0,0,1,1,0,0|0,1,0]=3 703 B6R1.11 C[C@H](O)C1CC1 C77523 [0,0,1,1,0,0|0,1,0]=3 704 B6R1.1 C1CCNNC1 71659 [0,0,1,1,0,0|2,0,0]=4 705 B6R1.7 CC1(CN)CC1 W10016 [0,0,1,1,0,0|2,0,0]=4 706 B6R1.7 NC1(CF)CC1 72945 [0,0,1,1,0,0|2,0,0]=4 707 B6R1.7 NC1(CO)CC1 32781 [0,0,1,1,0,0|2,0,0]=4 708 B6R1.7 NCC1(O)CC1 AC3228 [0,0,1,1,0,0|1,1,0]=4 709 B6R1.7 OCC1(F)CC1 72692 [0,0,1,1,0,0|2,0,0]=4 710 B6R1.7 OCC1(O)CC1 72268 [0,0,1,1,0,0|1,1,0]=4 711 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,1,0,1|1,0,0]=3 712 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,1,0,1|0,1,1]=4 713 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,1,0,1|1,0,0]=3 714 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,1,0,1|1,0,0]=3 715 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,1,0,1|2,0,0]=4 716 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,1,0,1|1,0,0]=3 717 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,1,0,1|1,0,0]=3 718 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,1,0,1|1,0,0]=3 719 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,1,0,1|1,0,0]=3 720 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,1,0,1|2,0,0]=4 721 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,1,0,1|2,0,0]=4 722 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,1,0,1|2,0,0]=4 723 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,1,0,1|2,0,0]=4 724 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,1,0,1|2,0,0]=4 725 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,1|0,1,1]=4 726 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,1,0,1|0,1,1]=4 727 B8R2.22 C1CC2CNC2C1 D78832 [0,1,0,1,0,0|1,0,0]=3 728 B8R2.55 C1CC2(CC2)CN1 80452 [0,1,0,1,0,0|2,0,0]=4 729 B8R2.55 C1CC2(CC2)CN1 P11718 [0,1,0,1,0,0|2,0,0]=4 730 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,1,0,1,0,0|2,0,0]=4 731 B4R1.1 C1CNC1 52818 [1,0,0,0,1,0|1,0,0]=3 732 B4R1.2 C[C@H]1CN1 68557 [0,0,0,0,2,0|2,0,0]=4 733 B4R1.2 IC1CC1 AC5127 [0,0,0,0,2,0|1,0,0]=3 734 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,0,0,2|1,0,0]=3 735 B8R1.22 CC1CNCCNC1 70848 [0,0,0,0,0,2|1,0,0]=3 736 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,0,0,2|1,0,0]=3 737 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,0,0,2|1,0,0]=3 738 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,0,0,2|1,0,0]=3 739 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,0,0,2|1,0,0]=3 740 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,0,0,2|1,0,0]=3 741 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,0,0,2|1,0,0]=3 742 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,0,0,0,2|1,0,0]=3 743 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,0,0,2|1,0,1]=4 744 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,0,0,2|1,0,0]=3 745 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,0,0,0,0,2|1,0,0]=3 746 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,0,0,2|0,1,1]=4 747 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,0,0,2|0,1,1]=4 748 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,0,0,2|0,1,1]=4 749 B8R1.22 O=C1CCNCCN1 58405 [0,0,0,0,0,2|0,1,1]=4 750 B8R1.22 O=C1CNCCNC1 77718 [0,0,0,0,0,2|0,1,1]=4 751 B8R1.22 O=C1CNCCOC1 P20266 [0,0,0,0,0,2|0,1,1]=4 752 B8R1.22 O=C1COCCCN1 71169 [0,0,0,0,0,2|0,1,1]=4 753 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,0,0,2|0,1,1]=4 754 B8R1.22 OC1CNCCNC1 77717 [0,0,0,0,0,2|0,1,0]=3