0 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 BrCC1CCNCC1 B1292 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 BrCC1CCOCC1 B3933 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 C#CC1CCNCC1 E24220 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C#CC1CCOCC1 E0568 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C#CC1CCSCC1 E13094 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 CCC1COCCN1 O5554 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CCN1CCNCC1 E13368 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 CC[C@H]1COCCN1 E22377 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 CNC1CCNCC1 M13774 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 CNC1CCOCC1 M10218 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 COC1CCNCC1 M0482 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 COC1CCNCC1 M1164 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 FCC1CCNCC1 F1237 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 FCC1CCNCC1 F14211 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.2 ICC1CCOCC1 I10217 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 N#CC1=CCCCO1 D43135 [0,0,0,0,0,0|1,0,3]=4 37 B8R1.2 N#CC1CCCCC1 C69224 [0,0,0,0,0,0|2,0,1]=3 38 B8R1.2 N#CC1CCCCN1 P20239 [0,0,0,0,0,0|2,0,1]=3 39 B8R1.2 N#CC1CCNCC1 C10273 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.2 N#CC1CCOCC1 C1508 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.2 N#CC1CCSCC1 T13089 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,0,0,0,0,0|2,0,1]=3 48 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,0,0,0,0,0|3,0,1]=4 51 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.2 NCC1CCOCC1 T1166 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.2 NCC1CCSCC1 T13090 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.2 NC[C@H]1COCCO1 D11965 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.2 NC[C@H]1COCCO1 D15491 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.2 NNC1CCCCC1 C43508 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.2 NNC1CCOCC1 T12041 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.2 NNC1CCOCC1 T64234 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,0,0,0,0,0|2,0,0]=2 68 B8R1.2 O=CC1CCOCC1 T0115 [0,0,0,0,0,0|2,0,2]=4 69 B8R1.2 O=CC1CCSCC1 T31827 [0,0,0,0,0,0|2,0,2]=4 70 B8R1.2 O=CN1CCCCC1 P68910 [0,0,0,0,0,0|2,0,2]=4 71 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,0,0,0,0|0,0,4]=4 72 B8R1.2 OCC1CCNCC1 P0766 [0,0,0,0,0,0|2,0,0]=2 73 B8R1.2 OCC1CCOCC1 H0390 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.2 OCC1CCSCC1 T13093 [0,0,0,0,0,0|2,0,0]=2 75 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,0,0,0|1,0,2]=3 76 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,0,0,0,0,0|1,0,0]=1 77 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,0,0,0|0,0,0]=0 78 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,0,0,0,0,0|2,0,0]=2 81 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,0,0,0,0,0|1,0,0]=1 82 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,0,0,0,0,0|2,0,0]=2 84 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,0,0,0,0,0|1,0,0]=1 85 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,0,0,0,0,0|1,0,0]=1 86 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,0,0,0,0,0|1,0,0]=1 87 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,0,0,0,0,0|2,0,0]=2 88 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,0,0,0,0,0|2,0,0]=2 89 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,0,0,0,0,0|2,0,0]=2 90 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,0,0,0,0,0|2,0,0]=2 92 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,0,0,0,0,0|1,0,0]=1 94 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,0,0,0,0,0|1,0,0]=1 95 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,0,0,0,0,0|1,0,0]=1 96 B8R1.2 OC[C@H]1COCCN1 M41332 [0,0,0,0,0,0|2,0,0]=2 97 B8R1.2 OC[C@H]1COCCN1 M61069 [0,0,0,0,0,0|2,0,0]=2 98 B8R1.2 OC[C@H]1COCCN1 M61885 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.2 OC[C@H]1COCCO1 D23561 [0,0,0,0,0,0|1,0,0]=1 100 B8R1.2 OC[C@H]1COCCO1 D40389 [0,0,0,0,0,0|1,0,0]=1 101 B8R1.2 ON=C1CCOCC1 T0658 [0,0,0,0,0,0|3,0,1]=4 102 B8R1.2 ON=C1CCSCC1 T6161 [0,0,0,0,0,0|3,0,1]=4 103 B8R1.2 ONC1CCCCC1 C43480 [0,0,0,0,0,0|2,0,0]=2 104 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,0,0,0|2,0,0]=2 105 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.3 BrC1CCNCC1 B40375 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 BrC1CCSCC1 B31817 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,0,0,0|2,0,1]=4 110 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,0,0,0|2,0,1]=4 111 B7R1.3 CC1SCCCS1 M63108 [1,0,0,0,0,0|1,1,0]=3 112 B7R1.3 CN1CCNCC1 M13367 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.3 C[C@@H]1CNCCN1 M10716 [1,0,0,0,0,0|2,0,0]=3 115 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,0,0,0|1,0,0]=2 116 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,0,0,0|1,0,0]=2 117 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,0,0,0|2,0,0]=3 119 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,0,0,0|1,0,0]=2 120 B7R1.3 C[C@H]1CNCCN1 M10717 [1,0,0,0,0,0|2,0,0]=3 121 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,0,0,0|1,0,0]=2 122 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,0,0,0|1,0,0]=2 123 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,0,0,0|1,0,0]=2 124 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,0,0,0|1,0,0]=2 125 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.3 ClC1CCNCC1 C40376 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.3 FC1CCNCC1 F6080 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 F[C@@H]1CCCNC1 F7495 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.3 F[C@H]1CCCNC1 F1651 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 F[C@H]1CCCNC1 F7461 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 IC1CCOCC1 I1189 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.3 IC1CCSCC1 I31818 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.3 NC1CCCCC1 C39283 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.3 NC1CCNCC1 P67610 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.3 NC1CCOCC1 A1504 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.3 NC1CCOCC1 T1169 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.3 NC1CCSCC1 T22381 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.3 NC1CCSCC1 T5312 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.3 N[C@@H]1CCCNC1 A10836 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.3 N[C@@H]1CCCNC1 P32424 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.3 N[C@H]1CCCNC1 P41385 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.3 N[C@H]1CCCNC1 P67457 [1,0,0,0,0,0|3,0,0]=4 147 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,0,0,0|3,0,0]=4 148 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,0,0,0|3,0,0]=4 149 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,0,0,0|1,0,2]=4 150 B7R1.3 O=C1COCCO1 D38663 [1,0,0,0,0,0|1,0,2]=4 151 B7R1.3 OC1CCNCC1 P24137 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.3 OC1CCNCC1 P41321 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.3 OC1CCOCC1 H0389 [1,0,0,0,0,0|2,0,0]=3 154 B7R1.3 OC1CCSCC1 H31816 [1,0,0,0,0,0|2,0,0]=3 155 B7R1.3 OC1COCOC1 D38760 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 O[C@@H]1CCCNC1 H12298 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.3 O[C@@H]1CCCNC1 H1652 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,0,0,0|2,0,0]=3 159 B7R1.3 O[C@@H]1CNCCO1 M40347 [1,0,0,0,0,0|1,0,0]=2 160 B7R1.3 O[C@H]1CCCNC1 H0276 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.3 O[C@H]1CCCNC1 H10264 [1,0,0,0,0,0|2,0,0]=3 162 B7R1.3 O[C@H]1CCCNC1 H10265 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.3 O[C@H]1CCCNC1 H4736 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,0,0,0|2,0,0]=3 165 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,0,0,0|2,0,0]=3 166 B7R1.3 SC1CCNCC1 P11895 [1,0,0,0,0,0|2,1,0]=4 167 B7R1.3 S[C@H]1CCCNC1 P15399 [1,0,0,0,0,0|2,1,0]=4 168 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,0,0,0|2,0,0]=3 169 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,0,0,0|3,0,0]=4 170 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,0,0,0|3,0,0]=4 171 B7R1.3 [Mg+]C1CCSCC1 T31824 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 E59721 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 E60262 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.1 CC1CCC(CO)CN1 M29794 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.1 CCN1CCC(O)CC1 E23233 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.1 CN1CCC(CN)CC1 M7514 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.1 CN1CCC(CO)CC1 M0388 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.1 CNC1CCC(O)CC1 M43910 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.1 COC1CCC(N)CC1 M43906 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.1 COC1CCC(O)CC1 M43887 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.1 N#CC1CCC(N)CC1 A46478 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.1 N#CC1CCC(O)CC1 H43771 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,0,0,0|1,0,1]=3 199 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,0,0,0|1,0,1]=3 200 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,0,0,0|1,0,1]=3 201 B9R1.2 CC1CCCC(CO)N1 M13497 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.2 CN1CCO[C@@H](CN)C1 M38222 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.2 CN1CCO[C@@H](CO)C1 M62084 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.2 CN1CCO[C@@H](CO)C1 M62085 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.2 CN1CCO[C@H](CO)C1 M62083 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,0,0,0|1,0,2]=4 218 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.6 FC(F)C1CCNCC1 D1937 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.6 FC(F)[C@H]1CCCNC1 D6079 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,0,0,0|0,0,3]=4 222 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,0,0,0|1,0,1]=3 223 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,0,0,0|2,0,1]=4 225 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,0,0,0|1,0,1]=3 229 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,0,0,0|1,0,1]=3 230 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,0,0,0|0,0,1]=2 231 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,0,0,0|1,0,1]=3 237 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,0,0,0|2,0,1]=4 240 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,0,0,0|1,0,1]=3 242 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,0,0,0|1,0,1]=3 243 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,0,0,0|2,0,1]=4 245 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,0,0,0|2,0,1]=4 249 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,0,0,0|1,0,1]=3 250 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,0,0,0|1,0,1]=3 251 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,0,0,0|2,0,1]=4 252 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,0,0,0|2,0,1]=4 253 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,0,0,0|1,0,1]=3 254 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,1,0,0,0,0|2,0,1]=4 255 B9R1.6 OB(O)C1CCCCC1 C2380 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.6 OB(O)C1CCSCC1 T31828 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.8 BrCCC1OCCCO1 B41524 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.8 BrCCN1CCCCC1 B43882 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.8 CCNC1CCOCC1 E43915 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.8 CNCC1CCOCC1 M1162 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.8 COCC1CCNCC1 M14337 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.8 COCC1CCNCC1 M26475 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.8 COC[C@@H]1CNCCO1 M43500 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.8 COC[C@@H]1COCCN1 M43499 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,0,0,0|1,0,0]=2 272 B9R1.8 COC[C@H]1CNCCO1 M41585 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.8 COC[C@H]1CNCCO1 M43493 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.8 COC[C@H]1CNCCO1 M43498 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.8 COC[C@H]1COCCN1 M43494 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.8 ClCCN1CCCCC1 C13526 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.8 N#CCC1CCCCC1 C47050 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.8 N#CCC1CCNCC1 P0816 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.8 N#CCC1CCOCC1 T43772 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.8 N#CC[C@@H]1CNCCN1 P59980 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.8 NCCC1CCOCC1 A1671 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.8 NCCC1CCOCC1 T46515 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.8 NCCN1CCCCC1 P22781 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.8 NCCN1CCCCC1 P46604 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.8 NNCC1CCOCC1 T18614 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.8 O=CCC1CCOCC1 T12448 [0,1,0,0,0,0|2,0,1]=4 290 B9R1.8 OCCC1CCNCC1 P24598 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.8 OCCC1CCOCC1 H10319 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.8 OCCC1SCCCS1 D41570 [0,1,0,0,0,0|1,1,0]=3 293 B9R1.8 OCCN1CCNCC1 H13372 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,0,0,0|1,0,0]=2 295 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,0,0,0|1,0,0]=2 298 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,0,0,0|1,0,0]=2 299 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,1,0,0,0,0|2,0,0]=3 301 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,1,0,0,0,0|1,0,0]=2 307 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,1,0,0,0,0|1,0,0]=2 308 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,1,0,0,0,0|1,0,0]=2 309 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,1,0,0,0,0|2,0,0]=3 310 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.118 CC1(CN)CCOCC1 A14519 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.118 CC1(CO)CCNCC1 H7952 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.118 CC1(CO)CCOCC1 H14518 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.118 CCC1(N)CCOCC1 E29635 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.118 CCC1(O)CCNCC1 E1770 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.118 CCC1(O)CCNCC1 E7766 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.118 C[C@]1(CO)CCCNC1 H1804 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.118 C[C@]1(CO)CCCNC1 H7938 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.118 NC1(CO)CCOCC1 A1161 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.118 NCC1(F)CCOCC1 A11518 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.118 NCC1(F)CCOCC1 F37083 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.118 NCC1(N)CCCCC1 A62273 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.118 NCC1(O)CCCCC1 A63077 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.118 NCC1(O)CCOCC1 A15691 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.118 OC1(CF)CCNCC1 F11344 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.118 OCC1(F)CCNCC1 F1707 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.118 OCC1(F)CCNCC1 F36854 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.118 OCC1(F)CCOCC1 H8035 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.118 OCC1(O)CCNCC1 H0546 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.118 OCC1(O)CCNCC1 H7646 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.118 OC[C@]1(O)CCCNC1 H0769 [0,1,0,0,0,0|2,0,0]=3 339 B7R0.1 BrCCCCCCBr D41534 [0,0,1,0,0,0|2,0,0]=3 340 B7R0.1 C#CCCCCCO H67855 [0,0,1,0,0,0|1,0,1]=3 341 B7R0.1 C=CCCCCCBr B43831 [0,0,1,0,0,0|2,0,1]=4 342 B7R0.1 CCCCCCCBr B43897 [0,0,1,0,0,0|2,0,0]=3 343 B7R0.1 CCCCCCC[Mg+] H31707 [0,0,1,0,0,0|2,0,0]=3 344 B7R0.1 COCCOCCI K40420 [0,0,1,0,0,0|2,0,0]=3 345 B7R0.1 COCCOCCN M38824 [0,0,1,0,0,0|2,0,0]=3 346 B7R0.1 ClCCCCCCBr B39200 [0,0,1,0,0,0|2,0,0]=3 347 B7R0.1 ClCCCCCCI C38559 [0,0,1,0,0,0|2,0,0]=3 348 B7R0.1 ICCCCCCI D41535 [0,0,1,0,0,0|2,0,0]=3 349 B7R0.1 N#CCOCCCO H31839 [0,0,1,0,0,0|2,0,1]=4 350 B7R0.1 NCCCCCCN H68834 [0,0,1,0,0,0|2,0,0]=3 351 B7R0.1 NCCCCCCO A36606 [0,0,1,0,0,0|1,0,0]=2 352 B7R0.1 NCCCNCCBr B40441 [0,0,1,0,0,0|3,0,0]=4 353 B7R0.1 NCCCNCCO H38578 [0,0,1,0,0,0|2,0,0]=3 354 B7R0.1 OCCCCCCBr B41603 [0,0,1,0,0,0|1,0,0]=2 355 B7R0.1 OCCCCCCCl C64682 [0,0,1,0,0,0|1,0,0]=2 356 B7R0.1 OCCCCCCI I4468 [0,0,1,0,0,0|1,0,0]=2 357 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,0,1,0,0,0|3,0,0]=4 358 B7R0.3 CCCC[C@@H](N)CO A43512 [0,0,1,0,0,0|1,0,0]=2 359 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,0,1,0,0,0|2,0,0]=3 360 B7R0.12 COC(CCBr)OC B40419 [0,0,1,0,0,0|3,0,0]=4 361 B7R0.12 COCC(OC)OC T40436 [0,0,1,0,0,0|3,0,0]=4 362 B9R2.49 C1CC2CCC1CN2 A11448 [0,0,0,1,0,0|2,0,0]=3 363 B9R2.49 C1CC2CCC1CN2 A8975 [0,0,0,1,0,0|2,0,0]=3 364 B9R2.49 C1CC2CNC1CO2 X11762 [0,0,0,1,0,0|1,0,0]=2 365 B9R2.49 C1CN2CCC1CC2 Q68615 [0,0,0,1,0,0|3,0,0]=4 366 B9R2.50 C1CNC2CNC2C1 D14370 [0,0,0,1,0,0|2,0,0]=3 367 B9R2.53 OC1C2CNCC1C2 A13735 [0,0,0,1,0,0|2,0,0]=3 368 B9R2.53 OC1C2CNCC1C2 A7297 [0,0,0,1,0,0|2,0,0]=3 369 B9R2.56 OCC12CNCC1C2 A11517 [0,0,0,1,0,0|2,0,0]=3 370 B9R2.56 OCC12CNCC1C2 A14525 [0,0,0,1,0,0|2,0,0]=3 371 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 X13543 [0,0,0,1,0,0|3,0,0]=4 372 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [0,0,0,1,0,0|2,0,0]=3 373 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [0,0,0,1,0,0|2,0,0]=3 374 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [0,0,0,1,0,0|2,0,0]=3 375 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [0,0,0,1,0,0|2,0,0]=3 376 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,1,0,0|2,0,0]=3 377 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,1,0,0|2,0,0]=3 378 B9R2.68 C1CC2CNCC1N2 D43558 [0,0,0,1,0,0|3,0,0]=4 379 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,1,0,0|2,0,0]=3 380 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,1,0,0|2,0,0]=3 381 B9R2.68 C1CC2COCC1N2 X11304 [0,0,0,1,0,0|3,0,0]=4 382 B9R2.68 C1CC2COCC1N2 X14120 [0,0,0,1,0,0|3,0,0]=4 383 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,1,0,0|3,0,0]=4 384 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,1,0,0|3,0,0]=4 385 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,1,0,0|3,0,0]=4 386 B9R2.70 N#CC1NCC2CC21 C7970 [0,0,0,1,0,0|2,0,1]=4 387 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [0,0,0,1,0,0|1,0,0]=2 388 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [0,0,0,1,0,0|1,0,0]=2 389 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [0,0,0,1,0,0|1,0,0]=2 390 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,1,0,0|2,0,0]=3 391 B9R2.174 C1CC2(CCN1)CC2 A8606 [0,0,0,1,0,0|3,0,0]=4 392 B9R2.174 C1CC2(CCO1)CO2 D22002 [0,0,0,1,0,0|2,0,0]=3 393 B9R2.174 C1CNC2(CC2)CN1 D13994 [0,0,0,1,0,0|3,0,0]=4 394 B9R2.174 C1CNC2(CC2)CN1 D19927 [0,0,0,1,0,0|3,0,0]=4 395 B9R2.174 C1CNC2(CC2)CN1 D7230 [0,0,0,1,0,0|3,0,0]=4 396 B9R2.174 C1COC2(CC2)CN1 X19638 [0,0,0,1,0,0|2,0,0]=3 397 B9R2.174 C1COCC2(CC2)N1 X62464 [0,0,0,1,0,0|3,0,0]=4 398 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,0,1,0|1,0,2]=4 399 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,0,1,0|1,0,0]=2 400 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,0,1,0|1,0,0]=2 401 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,0,1,0|2,0,0]=3 402 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,0,0,0,1,0|2,0,1]=4 403 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,0,1,0|2,0,0]=3 404 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,0,1,0|2,0,0]=3 405 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,0,1,0|3,0,0]=4 406 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,0,1,0|3,0,0]=4 407 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,0,1,0|3,0,0]=4 408 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,0,1,0|3,0,0]=4 409 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,0,1,0|3,0,0]=4 410 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,0,1,0|3,0,0]=4 411 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,0,1,0|2,0,0]=3 412 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,0,1,0|2,0,0]=3 413 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,0,1,0|2,0,0]=3 414 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,0,1,0|2,0,0]=3 415 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,0,1,0|2,0,1]=4 416 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,0,1,0|2,0,1]=4 417 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,0,1,0|2,0,1]=4 418 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,0,1,0|2,0,1]=4 419 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,0,0,0,1,0|2,0,1]=4 420 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,0,0,0,1,0|2,0,1]=4 421 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,0,1,0|2,0,1]=4 422 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,0,1,0|2,0,1]=4 423 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,0,0,0,1,0|2,0,1]=4 424 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,0,0,0,1,0|2,0,1]=4 425 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,0,0,0,1,0|2,0,1]=4 426 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,0,0,0,1,0|2,0,1]=4 427 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,0,0,0,1,0|2,0,1]=4 428 B7R1.1 NCC1CCCC1 C5395 [0,0,0,0,1,0|1,0,0]=2 429 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,0,1,0|2,0,0]=3 430 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,0,1,0|1,0,0]=2 431 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,0,1,0|2,0,0]=3 432 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,0,1,0|2,0,0]=3 433 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,0,1,0|2,0,0]=3 434 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,0,1,0|2,0,0]=3 435 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,0,1,0|2,0,0]=3 436 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,0,1,0|2,0,0]=3 437 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,0,1,0|2,0,0]=3 438 B7R1.1 NNC1CCCC1 C22580 [0,0,0,0,1,0|2,0,0]=3 439 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,0,1,0|0,0,2]=3 440 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,0,1,0|0,0,2]=3 441 B7R1.1 OCC1CCCC1 C23297 [0,0,0,0,1,0|0,0,0]=1 442 B7R1.1 OCC1OCCO1 D40256 [0,0,0,0,1,0|1,0,0]=2 443 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,0,1,0|1,0,0]=2 444 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,0,1,0|1,0,0]=2 445 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,0,1,0|0,0,0]=1 446 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,0,1,0|1,0,0]=2 447 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,0,1,0|1,0,0]=2 448 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,0,1,0|1,0,0]=2 449 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,0,1,0|1,0,0]=2 450 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,0,1,0|1,0,0]=2 451 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,0,1,0|0,0,0]=1 452 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,0,1,0|0,0,0]=1 453 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,0,1,0|1,0,0]=2 454 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,0,1,0|1,0,0]=2 455 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,0,1,0|1,0,0]=2 456 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,0,1,0|1,0,0]=2 457 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,0,1,0|1,0,0]=2 458 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,0,1,0|1,0,0]=2 459 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,0,1,0|1,0,0]=2 460 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,0,0,0,0,1|3,0,0]=4 462 B9R1.89 N#CC1CCCCCC1 C62451 [0,0,0,0,0,1|2,0,1]=4 463 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,0,0,0,0,1|2,0,1]=4 464 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,0,0,1|2,0,0]=3 465 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,0,0,0,0,1|1,0,0]=2 466 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,0,0,0,0,1|1,0,0]=2 467 B6R0.6 C#CCCCCO H41456 [1,0,1,0,0,0|0,0,2]=4 468 B6R0.6 C=CCCCCO H41549 [1,0,1,0,0,0|0,0,2]=4 469 B6R0.6 CC=CCCCO H41548 [1,0,1,0,0,0|0,0,2]=4 470 B6R0.6 CCCCCC[Mg+] H31703 [1,0,1,0,0,0|1,0,0]=3 471 B6R0.6 CCCCCNC M41618 [1,0,1,0,0,0|2,0,0]=4 472 B6R0.6 CCC\C=C\CO H41550 [1,0,1,0,0,0|0,0,2]=4 473 B6R0.6 CCOCCC#N E41255 [1,0,1,0,0,0|1,0,1]=4 474 B6R0.6 CNCCCCBr B40429 [1,0,1,0,0,0|2,0,0]=4 475 B6R0.6 CNCCCCO M38840 [1,0,1,0,0,0|1,0,0]=3 476 B6R0.6 COCCCCBr B40422 [1,0,1,0,0,0|2,0,0]=4 477 B6R0.6 ClCCCCCBr B39164 [1,0,1,0,0,0|2,0,0]=4 478 B6R0.6 FCCCCCBr B37978 [1,0,1,0,0,0|2,0,0]=4 479 B6R0.6 ICCCCCI D24633 [1,0,1,0,0,0|2,0,0]=4 480 B6R0.6 NCCNCCO A68374 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.6 NCCOCCN X39968 [1,0,1,0,0,0|2,0,0]=4 482 B6R0.6 NCCOCCN X40357 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.6 O=CCCCCO H32202 [1,0,1,0,0,0|0,0,2]=4 484 B6R0.6 OCCOCCCl C60784 [1,0,1,0,0,0|1,0,0]=3 485 B6R0.6 OCCOCCO D43939 [1,0,1,0,0,0|1,0,0]=3 486 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,1,0,0,0|2,0,0]=4 487 B6R0.1 CCC[C@H](N)CO A40443 [1,0,1,0,0,0|1,0,0]=3 488 B6R0.1 CCC[C@H](N)CO A66421 [1,0,1,0,0,0|1,0,0]=3 489 B6R0.1 CCOC(=O)CO E37817 [1,0,1,0,0,0|1,0,1]=4 490 B6R0.1 CCO\C(C)=N\O E68624 [1,0,1,0,0,0|1,0,1]=4 491 B6R0.1 CNC[C@H](O)CO M37886 [1,0,1,0,0,0|1,0,0]=3 492 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,1,0,0,0|1,0,0]=3 493 B6R0.4 CC(C)CCCO M67872 [1,0,1,0,0,0|2,0,0]=4 494 B6R0.4 CC(C)NCCCl C40431 [1,0,1,0,0,0|2,0,0]=4 495 B6R0.4 CC(C)OCCBr B69154 [1,0,1,0,0,0|1,0,0]=3 496 B6R0.9 CCC(CC)C[Mg+] E31704 [1,0,1,0,0,0|1,0,0]=3 497 B6R0.9 COC(CBr)OC B25077 [1,0,1,0,0,0|2,0,0]=4 498 B6R0.9 COC(CN)OC D39146 [1,0,1,0,0,0|2,0,0]=4 499 B6R0.9 OCC(CO)CO H36774 [1,0,1,0,0,0|2,0,0]=4 500 B6R1.1 C1=CCOCC1 D10810 [2,0,0,0,0,0|0,0,2]=4 501 B6R1.1 C1CCNCC1 P67647 [2,0,0,0,0,0|1,0,0]=3 502 B6R1.1 C1CCNNC1 H8288 [2,0,0,0,0,0|2,0,0]=4 503 B6R1.1 C1CCONC1 X13780 [2,0,0,0,0,0|1,0,0]=3 504 B6R1.1 C1CCONC1 X40342 [2,0,0,0,0,0|1,0,0]=3 505 B6R1.1 C1CNCOC1 X40263 [2,0,0,0,0,0|1,0,0]=3 506 B6R1.1 C1CSCCN1 T17901 [2,0,0,0,0,0|1,1,0]=4 507 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.4 BrCCCCCCCBr D43869 [0,1,1,0,0,0|2,0,0]=4 509 B8R0.4 C#CCCCCCCO O5669 [0,1,1,0,0,0|1,0,0]=3 510 B8R0.4 C=CCCCCCCCl C47108 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.4 CCCCCCCNC M47212 [0,1,1,0,0,0|2,0,0]=4 512 B8R0.4 CCOCCOCCO E60752 [0,1,1,0,0,0|0,0,0]=2 513 B8R0.4 COCCCCCCBr B43941 [0,1,1,0,0,0|1,0,0]=3 514 B8R0.4 COCCNCCOC B64968 [0,1,1,0,0,0|2,0,0]=4 515 B8R0.4 OCCCCCCCBr B43940 [0,1,1,0,0,0|1,0,0]=3 516 B8R0.4 OCCCNCCCO A37173 [0,1,1,0,0,0|0,0,0]=2 517 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.6 NCCCC[C@H](N)CO D43570 [0,1,1,0,0,0|1,0,0]=3 519 B8R0.7 CC(C)NCCCCO I38536 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.7 CCCCCCB(O)O H41623 [0,1,1,0,0,0|2,0,0]=4 521 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.7 CN(C)CCOCCO D68347 [0,1,1,0,0,0|1,0,0]=3 523 B8R0.7 COCCOCC(=O)O M37948 [0,1,1,0,0,0|1,0,1]=4 524 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,1,0,0,0|1,0,1]=4 525 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,1,0,0,0|1,0,1]=4 526 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,1,0,0,0|0,0,2]=4 527 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,1,0,0,0|1,0,1]=4 528 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.11 CCCC[C@H](CC)CO E60781 [0,1,1,0,0,0|1,0,0]=3 530 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,1,1,0,0,0|2,0,0]=4 531 B8R0.20 COC(CO)C(Br)CO B65468 [0,1,1,0,0,0|1,0,0]=3 532 B8R0.22 C#CC(OCC)OCC D43803 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.22 CCOC(C#N)OCC D41500 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.22 CCOC(CBr)OCC B8051 [0,1,1,0,0,0|1,0,0]=3 535 B8R0.22 CCOC(CI)OCC D1378 [0,1,1,0,0,0|1,0,0]=3 536 B8R0.22 CCOC(CN)OCC D41622 [0,1,1,0,0,0|1,0,0]=3 537 B8R0.22 CCOC(CO)OCC D37875 [0,1,1,0,0,0|0,0,0]=2 538 B8R1.3 CC1CCC(=O)CC1 M39288 [1,1,0,0,0,0|1,0,1]=4 539 B8R1.3 CC1CCC(O)CC1 M61965 [1,1,0,0,0,0|1,0,0]=3 540 B8R1.3 CN1CCC(Cl)CC1 C68578 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.3 CN1CCC(N)CC1 A7503 [1,1,0,0,0,0|2,0,0]=4 542 B8R1.3 CN1CCC(O)CC1 H12302 [1,1,0,0,0,0|2,0,0]=4 543 B8R1.3 CN1CCC([Mg+])CC1 M8352 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.3 CN1CCC([Zn+])CC1 M7236 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [1,1,0,0,0,0|1,0,0]=3 546 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [1,1,0,0,0,0|1,0,0]=3 547 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [1,1,0,0,0,0|1,0,0]=3 548 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [1,1,0,0,0,0|1,0,0]=3 549 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [1,1,0,0,0,0|1,0,0]=3 550 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [1,1,0,0,0,0|1,0,0]=3 553 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [1,1,0,0,0,0|1,0,0]=3 554 B8R1.3 NC1CCC(Br)CC1 B41541 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.3 NC1CCC(O)CC1 A43478 [1,1,0,0,0,0|1,0,0]=3 556 B8R1.3 NN1CCC(O)CC1 A61614 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [1,1,0,0,0,0|1,0,0]=3 558 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [1,1,0,0,0,0|1,0,0]=3 559 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [1,1,0,0,0,0|1,0,0]=3 561 B8R1.3 O=C1CCC(O)CC1 H18838 [1,1,0,0,0,0|1,0,1]=4 562 B8R1.3 OC1COC(O)CO1 D2034 [1,1,0,0,0,0|1,0,0]=3 563 B8R1.3 OC1CSC(O)CS1 D69077 [1,1,0,0,0,0|1,1,0]=4 564 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [1,1,0,0,0,0|1,0,0]=3 565 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [1,1,0,0,0,0|1,0,0]=3 566 B8R1.4 CC1CC(N)CCO1 M26284 [1,1,0,0,0,0|0,0,0]=2 567 B8R1.4 CC1CC(O)CCN1 M11589 [1,1,0,0,0,0|1,0,0]=3 568 B8R1.4 CC1CC(O)CCO1 M14345 [1,1,0,0,0,0|0,0,0]=2 569 B8R1.4 CC1CNCC(C)C1 D39299 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.4 CC1CNCC(C)N1 D4711 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.4 CN1CCC[C@H](N)C1 A0282 [1,1,0,0,0,0|2,0,0]=4 575 B8R1.4 CN1CCC[C@H](N)C1 A1654 [1,1,0,0,0,0|2,0,0]=4 576 B8R1.4 CN1CCC[C@H](N)C1 A7504 [1,1,0,0,0,0|2,0,0]=4 577 B8R1.4 CN1CCC[C@H](O)C1 H0286 [1,1,0,0,0,0|2,0,0]=4 578 B8R1.4 CN1CCC[C@H](O)C1 H1522 [1,1,0,0,0,0|2,0,0]=4 579 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,1,0,0,0,0|1,0,1]=4 580 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,1,0,0,0,0|0,0,1]=3 581 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [1,1,0,0,0,0|2,0,0]=4 582 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [1,1,0,0,0,0|2,0,0]=4 583 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [1,1,0,0,0,0|2,0,0]=4 584 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [1,1,0,0,0,0|2,0,0]=4 585 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [1,1,0,0,0,0|2,0,0]=4 586 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [1,1,0,0,0,0|2,0,0]=4 587 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [1,1,0,0,0,0|1,0,0]=3 588 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,1,0,0,0,0|1,0,1]=4 589 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,1,0,0,0,0|1,0,1]=4 590 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,1,0,0,0,0|1,0,1]=4 591 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,1,0,0,0,0|0,0,1]=3 592 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,1,0,0,0,0|0,0,1]=3 593 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,1,0,0,0,0|1,0,1]=4 594 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [1,1,0,0,0,0|2,0,0]=4 595 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [1,1,0,0,0,0|2,0,0]=4 596 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [1,1,0,0,0,0|1,0,0]=3 597 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [1,1,0,0,0,0|2,0,0]=4 598 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [1,1,0,0,0,0|2,0,0]=4 599 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [1,1,0,0,0,0|1,0,0]=3 600 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [1,1,0,0,0,0|1,0,0]=3 601 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [1,1,0,0,0,0|2,0,0]=4 602 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [1,1,0,0,0,0|1,0,0]=3 603 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [1,1,0,0,0,0|1,0,0]=3 604 B8R1.4 NC1CCCC(O)C1 A24893 [1,1,0,0,0,0|1,0,0]=3 605 B8R1.4 NC1CCCC(O)C1 A43477 [1,1,0,0,0,0|1,0,0]=3 606 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [1,1,0,0,0,0|1,0,0]=3 607 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [1,1,0,0,0,0|1,0,0]=3 608 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [1,1,0,0,0,0|1,0,0]=3 609 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [1,1,0,0,0,0|2,0,0]=4 610 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [1,1,0,0,0,0|1,0,0]=3 611 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [1,1,0,0,0,0|2,0,0]=4 612 B8R1.5 CC1CCNCC1O H11697 [1,1,0,0,0,0|2,0,0]=4 613 B8R1.5 CC1CCNCC1O H11698 [1,1,0,0,0,0|2,0,0]=4 614 B8R1.5 CC1CNCCC1O M17031 [1,1,0,0,0,0|2,0,0]=4 615 B8R1.5 CC1CNCCC1O M41575 [1,1,0,0,0,0|2,0,0]=4 616 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,1,0,0,0,0|1,0,0]=3 617 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [1,1,0,0,0,0|2,0,0]=4 618 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [1,1,0,0,0,0|2,0,0]=4 619 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [1,1,0,0,0,0|2,0,0]=4 620 B8R1.5 C[C@@H]1CNCCN1C D10718 [1,1,0,0,0,0|2,0,0]=4 621 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [1,1,0,0,0,0|2,0,0]=4 622 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [1,1,0,0,0,0|2,0,0]=4 623 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,1,0,0,0,0|1,0,0]=3 626 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,1,0,0,0,0|2,0,0]=4 627 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,1,0,0,0,0|2,0,0]=4 628 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [1,1,0,0,0,0|2,0,0]=4 629 B8R1.5 C[C@H]1CNCCC1=O M14880 [1,1,0,0,0,0|2,0,0]=4 630 B8R1.5 C[C@H]1CNCCC1=O M41497 [1,1,0,0,0,0|2,0,0]=4 631 B8R1.5 C[C@H]1CNCCN1C D11166 [1,1,0,0,0,0|2,0,0]=4 632 B8R1.5 C[C@H]1CNCCN1C D23865 [1,1,0,0,0,0|2,0,0]=4 633 B8R1.5 C[C@H]1CNCCN1C D41606 [1,1,0,0,0,0|2,0,0]=4 634 B8R1.5 C[C@H]1COCCC1=O M11408 [1,1,0,0,0,0|2,0,0]=4 635 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [1,1,0,0,0,0|2,0,0]=4 636 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [1,1,0,0,0,0|2,0,0]=4 637 B8R1.5 NC1COCCC1O A7869 [1,1,0,0,0,0|2,0,0]=4 638 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [1,1,0,0,0,0|2,0,0]=4 639 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [1,1,0,0,0,0|2,0,0]=4 640 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,1,0,0,0,0|1,0,0]=3 641 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,1,0,0,0,0|1,0,0]=3 642 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [1,1,0,0,0,0|2,0,0]=4 643 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [1,1,0,0,0,0|2,0,0]=4 644 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [1,1,0,0,0,0|2,0,0]=4 645 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [1,1,0,0,0,0|2,0,0]=4 646 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [1,1,0,0,0,0|2,0,0]=4 647 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [1,1,0,0,0,0|2,0,0]=4 648 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [1,1,0,0,0,0|2,0,0]=4 649 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,1,0,0,0,0|2,0,0]=4 650 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,1,0,0,0,0|1,0,0]=3 652 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,1,0,0,0,0|1,0,0]=3 653 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [1,1,0,0,0,0|2,0,0]=4 654 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,1,0,0,0,0|1,0,0]=3 655 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,1,0,0,0,0|1,0,0]=3 656 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [1,1,0,0,0,0|2,0,0]=4 659 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [1,1,0,0,0,0|2,0,0]=4 660 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.5 OC1CCCCC1Cl C41533 [1,1,0,0,0,0|1,0,0]=3 663 B8R1.5 OC1CCNCC1F F32301 [1,1,0,0,0,0|2,0,0]=4 664 B8R1.5 OC1CCOCC1F F20039 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [1,1,0,0,0,0|1,0,0]=3 670 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [1,1,0,0,0,0|2,0,0]=4 673 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [1,1,0,0,0,0|2,0,0]=4 676 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [1,1,0,0,0,0|2,0,0]=4 677 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [1,1,0,0,0,0|2,0,0]=4 678 B8R1.72 CC1(C)CCNCC1 D0628 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.72 CC1(C)CNCCN1 D13386 [1,1,0,0,0,0|2,0,0]=4 680 B8R1.72 CC1(C)CNCCO1 D11989 [1,1,0,0,0,0|1,0,0]=3 681 B8R1.72 CC1(C)CNCCO1 D1343 [1,1,0,0,0,0|1,0,0]=3 682 B8R1.72 CC1(C)COCCN1 D24429 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.72 CC1(F)CCNCC1 F43473 [1,1,0,0,0,0|2,0,0]=4 684 B8R1.72 CC1(N)CCOCC1 M10391 [1,1,0,0,0,0|2,0,0]=4 685 B8R1.72 CC1(O)CCCCC1 M43886 [1,1,0,0,0,0|1,0,0]=3 686 B8R1.72 CC1(O)CCNCC1 H7439 [1,1,0,0,0,0|2,0,0]=4 687 B8R1.72 CC1(O)CCNCC1 M0127 [1,1,0,0,0,0|2,0,0]=4 688 B8R1.72 CC1(O)CCOCC1 M25219 [1,1,0,0,0,0|2,0,0]=4 689 B8R1.72 CC1(O)CCSCC1 M41569 [1,1,0,0,0,0|2,0,0]=4 690 B8R1.72 C[C@]1(O)CCCNC1 M1131 [1,1,0,0,0,0|2,0,0]=4 691 B8R1.72 C[C@]1(O)CCCNC1 M59908 [1,1,0,0,0,0|2,0,0]=4 692 B8R1.72 O=S1(=O)CCCCO1 B69155 [1,1,0,0,0,0|1,0,1]=4 693 B8R1.72 OC1(O)CCNCC1 P0354 [1,1,0,0,0,0|2,0,0]=4 694 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,1,0,0,1,0|2,0,0]=4 695 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,1,0,0,1,0|2,0,0]=4 696 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,1,0,0,1,0|2,0,0]=4 697 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,0,1,0|2,0,0]=4 698 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,0,1,0|2,0,0]=4 699 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,0,1,0|2,0,0]=4 700 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,0,1,0|1,0,0]=3 701 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,0,1,0|2,0,0]=4 702 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,0,1,0|1,0,0]=3 703 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,0,1,0|2,0,0]=4 704 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,0,1,0|0,0,2]=4 705 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,1,0|1,0,1]=4 706 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,1,0|0,0,1]=3 707 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,1,0|1,0,1]=4 708 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,1,0|1,0,1]=4 709 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,1,0|1,0,1]=4 710 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,1,0|1,0,1]=4 711 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,1,0|0,0,1]=3 712 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,0,1,0|1,0,1]=4 713 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,0,1,0|1,0,1]=4 714 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,0,1,0|1,0,1]=4 715 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,0,1,0|1,0,0]=3 716 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,0,1,0|0,0,0]=2 717 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,0,1,0|1,0,0]=3 718 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,0,1,0|0,0,2]=4 719 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,0,1,0|2,0,0]=4 720 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,0,1,0|2,0,0]=4 721 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,0,1,0|1,0,0]=3 722 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,0,1,0|1,0,0]=3 723 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,1,0,0,1,0|2,0,0]=4 724 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,1,0,0,1,0|2,0,0]=4 725 B8R1.7 FC(F)[C@H]1CCNC1 D19206 [0,1,0,0,1,0|2,0,0]=4 726 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,0,1,0|1,0,1]=4 727 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,0,1,0|0,0,1]=3 728 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,0,1,0|1,0,1]=4 729 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,0,1,0|0,0,1]=3 730 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,0,1,0|0,0,1]=3 731 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,0,1,0|0,1,1]=4 732 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,0,1,0|1,0,1]=4 733 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,0,1,0|1,0,1]=4 734 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,0,1,0|1,0,1]=4 735 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,0,1,0|0,0,1]=3 736 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,0,1,0|1,0,1]=4 737 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,0,1,0|1,0,1]=4 738 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,0,1,0|1,0,1]=4 739 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,0,1,0|1,0,1]=4 740 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,0,1,0|1,0,1]=4 741 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,0,1,0|1,0,1]=4 742 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,0,1,0|1,0,0]=3 743 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,0,1,0|2,0,0]=4 744 B8R1.8 C#CCN1CCCC1 P46471 [0,1,0,0,1,0|2,0,0]=4 745 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,0,1,0|2,0,0]=4 746 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,0,1,0|2,0,0]=4 747 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,1,0,0,1,0|2,0,0]=4 748 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,0,1,0|1,0,0]=3 749 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,0,1,0|1,0,0]=3 750 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,0,1,0|1,0,0]=3 751 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,0,1,0|1,0,0]=3 752 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,0,1,0|1,0,0]=3 753 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,0,1,0|1,0,0]=3 754 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,0,1,0|1,0,0]=3 755 B8R1.8 ClCCN1CCCC1 C41544 [0,1,0,0,1,0|2,0,0]=4 756 B8R1.8 N#CCN1CCCC1 C43583 [0,1,0,0,1,0|2,0,0]=4 757 B8R1.8 N#CCN1CCCC1 P38197 [0,1,0,0,1,0|2,0,0]=4 758 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,0,1,0|1,0,0]=3 759 B8R1.8 NCCN1CCCC1 P41605 [0,1,0,0,1,0|2,0,0]=4 760 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,0,1,0|1,0,0]=3 761 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,0,1,0|1,0,0]=3 762 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,0,1,0|1,0,0]=3 763 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,0,1,0|2,0,0]=4 764 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,0,1,0|1,0,1]=4 765 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,0,1,0|2,0,0]=4 766 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,0,1,0|1,0,0]=3 767 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,0,1,0|1,0,0]=3 768 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,0,1,0|2,0,0]=4 769 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,0,1,0|2,0,0]=4 770 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,0,1,0|2,0,0]=4 771 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,0,1,0|1,0,0]=3 772 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,0,1,0|2,0,0]=4 773 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,0,1,0|1,0,0]=3 774 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,0,1,0|1,0,0]=3 775 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,0,1,0|1,0,1]=4 776 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,0,1,0|1,0,1]=4 777 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,0,1,0|2,0,0]=4 778 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,0,1,0|2,0,0]=4 779 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,0,1,0|0,0,1]=3 780 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,0,1,0|1,0,1]=4 781 B8R1.52 CC1(CBr)OCCO1 B5418 [0,1,0,0,1,0|2,0,0]=4 782 B8R1.52 CC1(CN)OCCO1 M40413 [0,1,0,0,1,0|2,0,0]=4 783 B8R1.52 CC1(CO)OCCO1 M37741 [0,1,0,0,1,0|1,0,0]=3 784 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,1,0,0,1,0|2,0,0]=4 785 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,0,1,0|1,0,0]=3 786 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,1,0,0,1,0|2,0,0]=4 787 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,0,1,0|1,0,0]=3 788 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,1,0,0,1,0|2,0,0]=4 789 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,1,0,0,1,0|2,0,0]=4 790 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,0,1,0|1,0,0]=3 791 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,0,1,0|1,0,0]=3 792 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,0,1,0|1,0,0]=3 793 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,0,1,0|1,0,0]=3 794 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,0,1,0|1,0,0]=3 795 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,1,0,0,1,0|1,0,0]=3 796 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,1,0,0,1,0|1,0,0]=3 797 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,1,0,0,1,0|1,0,0]=3 798 B8R1.52 O[C@@]1(CF)CCNC1 F27103 [0,1,0,0,1,0|2,0,0]=4 799 B10R1.85 OCCN1CCCCCC1 A47168 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,1,0,0,0,1|1,0,1]=4 801 B10R1.1 CN1CCC(CCO)CC1 M0301 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 A29608 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.1 NC1CCC(CCO)CC1 A47170 [0,2,0,0,0,0|1,0,0]=3 804 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 A0878 [0,2,0,0,0,0|1,0,0]=3 805 B10R1.3 CCN1CCC(CO)CC1 E47171 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 A13290 [0,2,0,0,0,0|1,0,0]=3 807 B10R1.3 O=CN1CCC(CO)CC1 H43851 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,2,0,0,0,0|1,0,1]=4 809 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,2,0,0,0,0|1,0,1]=4 810 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,2,0,0,0,0|1,0,1]=4 811 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,2,0,0,0,0|1,0,1]=4 812 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,2,0,0,0,0|1,0,1]=4 813 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,2,0,0,0,0|1,0,1]=4 814 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,2,0,0,0,0|1,0,1]=4 815 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,2,0,0,0,0|1,0,1]=4 816 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,2,0,0,0,0|1,0,1]=4 817 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,2,0,0,0,0|1,0,1]=4 818 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,2,0,0,0,0|1,0,1]=4 819 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,2,0,0,0,0|1,0,1]=4 820 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,2,0,0,0,0|1,0,1]=4 821 B10R1.26 C[C@]1(O)CC[C@@H](CN)CC1 A60469 [0,2,0,0,0,0|2,0,0]=4 822 B10R1.26 FC1(F)CCC(CBr)CC1 B10690 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.26 NCC1CCC(F)(F)CC1 D5710 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.26 OCC1CCC(F)(F)CC1 D11220 [0,2,0,0,0,0|1,0,0]=3 825 B10R1.10 CN1CCC[C@H](CCO)C1 M12328 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,2,0,0,0,0|1,0,1]=4 827 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,2,0,0,0,0|1,0,1]=4 828 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,2,0,0,0,0|1,0,1]=4 829 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,2,0,0,0,0|1,0,1]=4 830 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,2,0,0,0,0|1,0,1]=4 831 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,2,0,0,0,0|1,0,1]=4 832 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,2,0,0,0,0|1,0,1]=4 833 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,2,0,0,0,0|1,0,1]=4 834 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,2,0,0,0,0|1,0,1]=4 835 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,2,0,0,0,0|1,0,1]=4 836 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,2,0,0,0,0|1,0,1]=4 837 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,2,0,0,0,0|1,0,1]=4 838 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,2,0,0,0,0|1,0,1]=4 839 B10R1.171 NC[C@H]1CCCC(F)(F)C1 D60477 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,2,0,0,0,0|1,0,1]=4 843 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,2,0,0,0,0|1,0,1]=4 844 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,2,0,0,0,0|1,0,1]=4 845 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,2,0,0,0,0|0,0,1]=3 846 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,2,0,0,0,0|1,0,1]=4 847 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,2,0,0,0,0|1,0,1]=4 848 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,2,0,0,0,0|1,0,1]=4 849 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,2,0,0,0,0|1,0,1]=4 850 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.28 CC(C)(O)C1CCCCC1 C29711 [0,2,0,0,0,0|1,0,0]=3 853 B10R1.28 CC(C)(O)C1CCNCC1 P11780 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.28 FC(F)(F)[C@@H]1CNCCO1 T60346 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.28 FC(F)(F)[C@H]1CNCCO1 T60347 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.61 CC(C)C1CCCCC1O P50579 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,2,0,0,0,0|1,0,1]=4 858 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,2,0,0,0,0|1,0,1]=4 859 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,2,0,0,0,0|1,0,1]=4 860 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 M61881 [0,2,0,0,0,0|1,0,1]=4 861 B10R1.363 C[C@]1(C(=O)O)CCCCN1 M16273 [0,2,0,0,0,0|1,0,1]=4 862 B10R1.363 NC1(C(=O)O)CCCCC1 A68884 [0,2,0,0,0,0|1,0,1]=4 863 B10R1.363 O=C(O)C1(O)CCCCC1 H43816 [0,2,0,0,0,0|1,0,1]=4 864 B10R1.17 BrCCOC1CCCCC1 B47143 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.17 C#CCO[C@@H]1CCCCO1 P47020 [0,2,0,0,0,0|1,0,0]=3 867 B10R1.17 COCCC1CCNCC1 M0867 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.17 COCCC1CCNCC1 M11399 [0,2,0,0,0,0|2,0,0]=4 869 B10R1.17 COCC[C@H]1CCCCN1 M49583 [0,2,0,0,0,0|1,0,0]=3 870 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.17 OCCCC1CCNCC1 P13257 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.17 OCCCN1CCCCC1 P16239 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.18 CN(C)C[C@H]1CNCCO1 D43945 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,2,0,0,0,0|1,0,0]=3 876 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,2,0,0,0,0|0,0,0]=2 879 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [0,2,0,0,0,0|2,0,0]=4 883 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [0,2,0,0,0,0|1,0,0]=3 885 B10R1.18 OB(O)CC1CCCCC1 C43936 [0,2,0,0,0,0|1,0,0]=3 886 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,2,0,0,0,0|1,0,0]=3 887 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,2,0,0,0,0|1,0,0]=3 888 B10R1.38 OC[C@H]1CCNCC1(F)F D14665 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.38 OC[C@H]1CCNCC1(F)F D31244 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.245 CC1CCCC(C)C1CO D60472 [0,2,0,0,0,0|1,0,0]=3 891 B10R1.487 N#CC1(CO)CCOCC1 H60615 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.487 OCC1(CO)CCNCC1 H26084 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.487 OCC1(CO)CCNCC1 P13530 [0,2,0,0,0,0|2,0,0]=4 894 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,1,1,0,0|2,0,0]=4 895 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,1,1,0,0|2,0,0]=4 896 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,1,1,0,0|2,0,0]=4 897 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,1,1,0,0|2,0,0]=4 898 B8R1.38 CC(CO)C1CCO1 X60289 [0,0,1,1,0,0|2,0,0]=4 899 B8R1.60 CCC1(CO)COC1 E29798 [0,0,1,1,0,0|2,0,0]=4 900 B8R1.60 CNC1(CO)COC1 M8589 [0,0,1,1,0,0|2,0,0]=4 901 B8R1.60 COC1(CN)CCC1 M15213 [0,0,1,1,0,0|1,0,0]=3 902 B8R1.60 COC1(CO)COC1 M60398 [0,0,1,1,0,0|1,0,0]=3 903 B8R1.60 NCC1(CO)CCC1 A1325 [0,0,1,1,0,0|2,0,0]=4 904 B8R1.60 OCC1(CO)CCC1 C6242 [0,0,1,1,0,0|2,0,0]=4 905 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [1,0,0,1,0,0|2,0,0]=4 906 B8R2.18 NC1CC2CC2C1 B11091 [1,0,0,1,0,0|2,0,0]=4 907 B8R2.23 C1NCC2CC1C2 A31840 [1,0,0,1,0,0|2,0,0]=4 908 B8R2.23 C1NCC2CC1O2 X15474 [1,0,0,1,0,0|1,0,0]=3 909 B8R2.23 C1NCC2CC1O2 X19506 [1,0,0,1,0,0|1,0,0]=3 910 B8R2.23 C1OCC2CC1N2 X30108 [1,0,0,1,0,0|2,0,0]=4 911 B8R2.25 C1CC2OC2CO1 D13598 [1,0,0,1,0,0|2,0,0]=4 912 B8R2.25 C1CNC2CC2N1 D60443 [1,0,0,1,0,0|2,0,0]=4 913 B8R2.25 C1COC2CC2N1 X41370 [1,0,0,1,0,0|1,0,0]=3 914 B8R2.34 C1CC2CCC1N2 A0698 [1,0,0,1,0,0|2,0,0]=4 915 B8R2.34 C1CC2CCC1N2 A8159 [1,0,0,1,0,0|2,0,0]=4 916 B8R2.34 C1OC2CNC1C2 X26396 [1,0,0,1,0,0|1,0,0]=3 917 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [1,0,0,1,0,0|1,0,0]=3 918 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [1,0,0,1,0,0|1,0,0]=3 919 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [1,0,0,1,0,0|1,0,0]=3 920 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [1,0,0,1,0,0|1,0,0]=3 921 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [1,0,0,1,0,0|1,0,0]=3 922 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [1,0,0,1,0,0|1,0,0]=3 923 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,1,1,0|2,0,0]=4 924 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,1,1,0|2,0,0]=4 925 B8R2.55 C1CC2(CC2)CN1 A8605 [0,0,0,1,1,0|2,0,0]=4 926 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,1,1,0|2,0,0]=4 927 B10R2.41 FC1C2CCC1CNC2 F11500 [0,0,0,1,0,1|2,0,0]=4 928 B10R2.41 O=C1C2CNCC1OC2 X14894 [0,0,0,1,0,1|0,0,2]=4 929 B10R2.41 OC1C2CCC1CNC2 A11691 [0,0,0,1,0,1|1,0,0]=3 930 B10R2.41 OC1C2CNCC1OC2 H14895 [0,0,0,1,0,1|0,0,0]=2 931 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 A30097 [0,0,0,1,0,1|1,0,0]=3 932 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 A13546 [0,0,0,1,0,1|1,0,0]=3 933 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 A31855 [0,0,0,1,0,1|1,0,0]=3 934 B10R2.41 O[C@@H]1[C@H]2CNC[C@@H]1OC2 E14897 [0,0,0,1,0,1|0,0,0]=2 935 B10R2.41 O[C@H]1[C@H]2CC[C@@H]1CNC2 E13545 [0,0,0,1,0,1|1,0,0]=3 936 B10R2.41 O[C@H]1[C@H]2CNC[C@@H]1OC2 H14896 [0,0,0,1,0,1|0,0,0]=2 937 B10R2.409 C1CN2CCC(CC2)N1 D38077 [0,0,0,1,0,1|2,0,0]=4 938 B10R2.62 CN1CC2CCC1CN2 M13660 [0,1,0,1,0,0|2,0,0]=4 939 B10R2.62 CN1CC2CCC1CN2 M29870 [0,1,0,1,0,0|2,0,0]=4 940 B10R2.62 OC1CC2CCC1NC2 H10664 [0,1,0,1,0,0|1,0,0]=3 941 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,1,0,1,0,0|1,0,0]=3 942 B10R2.178 OC1CCC2CCC1N2 A14808 [0,1,0,1,0,0|2,0,0]=4 943 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 A14817 [0,1,0,1,0,0|2,0,0]=4 944 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 A14816 [0,1,0,1,0,0|2,0,0]=4 945 B10R2.335 OC1CCC2(CC1)CC2 S22469 [0,1,0,1,0,0|2,0,0]=4 946 B10R2.582 NC12CCC(CC1)CC2 B60454 [0,1,0,1,0,0|2,0,0]=4 947 B10R2.61 OC1CC2CCCC1N2 A14772 [0,1,0,1,0,0|1,0,0]=3 948 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A14870 [0,1,0,1,0,0|1,0,0]=3 949 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A27659 [0,1,0,1,0,0|1,0,0]=3 950 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A14871 [0,1,0,1,0,0|1,0,0]=3 951 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A27660 [0,1,0,1,0,0|1,0,0]=3 952 B10R2.71 F[C@@H]1C[C@@H]2CC[C@H](C1)N2 F12224 [0,1,0,1,0,0|2,0,0]=4 953 B10R2.71 NC1CC2CCC(C1)C2 B10764 [0,1,0,1,0,0|2,0,0]=4 954 B10R2.71 NC1CC2CCC(C1)O2 X13631 [0,1,0,1,0,0|1,0,0]=3 955 B10R2.71 NC1CC2CCC(C1)O2 X20710 [0,1,0,1,0,0|1,0,0]=3 956 B10R2.71 N[C@H]1C[C@@H]2CC[C@H](C1)O2 X27133 [0,1,0,1,0,0|1,0,0]=3 957 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,1,0,1,0,0|1,0,1]=4 958 B10R2.71 OC1CC2CCC(C1)O2 X13630 [0,1,0,1,0,0|1,0,0]=3 959 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 A0703 [0,1,0,1,0,0|2,0,0]=4 960 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 A12225 [0,1,0,1,0,0|2,0,0]=4 961 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 X13632 [0,1,0,1,0,0|1,0,0]=3 962 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 E7436 [0,1,0,1,0,0|2,0,0]=4 963 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 X13633 [0,1,0,1,0,0|1,0,0]=3 964 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,1,0,1,0,0|2,0,0]=4 965 B10R2.408 C1CC2COCC(C1)N2 X14547 [0,1,0,1,0,0|1,0,0]=3 966 B10R2.425 OCC12CC(CCN1)C2 A15270 [0,1,0,1,0,0|1,0,0]=3 967 B10R2.534 N[C@H]1CCCC2(CC2)C1 S13663 [0,1,0,1,0,0|2,0,0]=4 968 B10R2.6 C1CC[C@@H](C2CC2)NC1 C49561 [0,1,0,1,0,0|2,0,0]=4 969 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [0,1,0,1,0,0|1,0,1]=4 970 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,1,0,1,0,0|1,0,1]=4 971 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,1,0,1,0,0|1,0,1]=4 972 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,1,0,1,0,0|1,0,1]=4 973 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,1,0,1,0,0|1,0,1]=4 974 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,1,0,1,0,0|1,0,1]=4 975 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,1,0,1,0,0|1,0,1]=4 976 B10R2.7 C1CCC2CNCC2C1 X47109 [0,1,0,1,0,0|2,0,0]=4 977 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X49562 [0,1,0,1,0,0|2,0,0]=4 978 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X6365 [0,1,0,1,0,0|2,0,0]=4 979 B10R2.7 C1CNC2CNCC2C1 X43870 [0,1,0,1,0,0|2,0,0]=4 980 B10R2.7 C1CN[C@@H]2CNC[C@@H]2C1 D14070 [0,1,0,1,0,0|2,0,0]=4 981 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 X43871 [0,1,0,1,0,0|2,0,0]=4 982 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 X43872 [0,1,0,1,0,0|2,0,0]=4 983 B10R2.7 C1CO[C@@H]2CNC[C@@H]2O1 H29914 [0,1,0,1,0,0|2,0,0]=4 984 B10R2.7 C1CO[C@H]2CNC[C@@H]2N1 X27573 [0,1,0,1,0,0|2,0,0]=4 985 B10R2.160 OCC1C2CNCC1C2 H7396 [0,1,0,1,0,0|2,0,0]=4 986 B10R2.484 C1CC2(C1)CNCCO2 X14914 [0,1,0,1,0,0|2,0,0]=4 987 B10R2.484 C1CC2(CCN1)CCO2 O7160 [0,1,0,1,0,0|2,0,0]=4 988 B10R2.484 C1CC2(CCN1)CCO2 O7366 [0,1,0,1,0,0|2,0,0]=4 989 B10R2.484 C1CC2(CCN1)CCO2 X19484 [0,1,0,1,0,0|2,0,0]=4 990 B10R2.484 C1CC2(CCN1)COC2 X6034 [0,1,0,1,0,0|2,0,0]=4 991 B10R2.484 C1CC2(CCN1)COC2 X65392 [0,1,0,1,0,0|2,0,0]=4 992 B10R2.484 C1CCC2(CC1)CCN2 A14690 [0,1,0,1,0,0|2,0,0]=4 993 B10R2.484 C1CCC2(CC1)CNC2 A15579 [0,1,0,1,0,0|2,0,0]=4 994 B10R2.484 C1CCC2(CCC2)NC1 A10149 [0,1,0,1,0,0|2,0,0]=4 995 B10R2.484 C1CCC2(CCC2)NC1 A8607 [0,1,0,1,0,0|2,0,0]=4 996 B10R2.484 C1CCC2(CNC2)OC1 X19269 [0,1,0,1,0,0|1,0,0]=3 997 B10R2.484 C1CCC2(CNC2)OC1 X7196 [0,1,0,1,0,0|1,0,0]=3 998 B10R2.484 C1CCC2(COC2)NC1 X6035 [0,1,0,1,0,0|1,0,0]=3 999 B10R2.484 C1CNCC2(C1)COC2 O5949 [0,1,0,1,0,0|2,0,0]=4 1000 B10R2.484 C1CNC[C@@]2(C1)CCO2 O8371 [0,1,0,1,0,0|2,0,0]=4 1001 B10R2.484 C1COC2(CN1)COC2 D8489 [0,1,0,1,0,0|1,0,0]=3 1002 B10R2.484 C1COCC2(COC2)N1 D31876 [0,1,0,1,0,0|2,0,0]=4 1003 B10R2.484 C1COCC2(COC2)N1 D7407 [0,1,0,1,0,0|2,0,0]=4 1004 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,0,1,0|2,0,0]=4 1005 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,0,1,0|2,0,0]=4 1006 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,1,0|1,0,1]=4 1007 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,0,1,0|1,0,0]=3 1008 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,0,1,0|1,0,0]=3 1009 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,0,1,0|1,0,0]=3 1010 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,0,1,0|1,0,0]=3 1011 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,0,1,0|1,0,0]=3 1012 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,0,1,0|1,0,0]=3 1013 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,0,1,0|1,0,0]=3 1014 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,0,1,0|2,0,0]=4 1015 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,0,1,0|2,0,0]=4 1016 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,0,1,0|2,0,0]=4 1017 B6R1.2 IC1CCCC1 I20419 [1,0,0,0,1,0|1,0,0]=3 1018 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,0,1,0|2,0,0]=4 1019 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,0,1,0|2,0,0]=4 1020 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,0,1,0|2,0,0]=4 1021 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,0,1,0|2,0,0]=4 1022 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,0,1,0|2,0,0]=4 1023 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,0,1,0|2,0,0]=4 1024 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,0,1,0|2,0,0]=4 1025 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,0,1,0|2,0,0]=4 1026 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,0,1,0|2,0,0]=4 1027 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,0,1,0|2,0,0]=4 1028 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,0,1,0|2,0,0]=4 1029 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,0,1,0|2,0,0]=4 1030 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,0,1,0|2,0,0]=4 1031 B6R1.2 OC1CC=CC1 C67522 [1,0,0,0,1,0|0,0,2]=4 1032 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,0,1,0|1,0,0]=3 1033 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,0,1,0|1,0,0]=3 1034 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,0,1,0|1,0,0]=3 1035 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,0,1,0|1,0,0]=3 1036 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,0,1,0|1,0,0]=3 1037 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,0,1,0|1,0,0]=3 1038 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,0,1,0|1,0,0]=3 1039 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,0,1,0|1,0,0]=3 1040 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,0,1,0|2,0,0]=4 1041 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,0,1,0|2,0,0]=4 1042 B6R1.6 BrCC1COC1 B19169 [0,0,0,0,2,0|2,0,0]=4 1043 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,0,2,0|1,0,0]=3 1044 B6R1.6 FCC1CNC1 F21648 [0,0,0,0,2,0|2,0,0]=4 1045 B6R1.6 ICC1CCC1 I29708 [0,0,0,0,2,0|1,0,0]=3 1046 B6R1.6 ICC1COC1 I6937 [0,0,0,0,2,0|2,0,0]=4 1047 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,0,2,0|1,0,0]=3 1048 B6R1.6 N#CC1CCC1 C5653 [0,0,0,0,2,0|1,0,1]=4 1049 B6R1.6 NCC1CCC1 C0310 [0,0,0,0,2,0|1,0,0]=3 1050 B6R1.6 NCC1CCC1 C1144 [0,0,0,0,2,0|1,0,0]=3 1051 B6R1.6 NCC1CNC1 A13410 [0,0,0,0,2,0|2,0,0]=4 1052 B6R1.6 NCC1COC1 O5691 [0,0,0,0,2,0|2,0,0]=4 1053 B6R1.6 NCC1CSC1 T6978 [0,0,0,0,2,0|2,0,0]=4 1054 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,0,2,0|1,0,0]=3 1055 B6R1.6 NNC1CCC1 C37776 [0,0,0,0,2,0|2,0,0]=4 1056 B6R1.6 OCC1CCC1 C67424 [0,0,0,0,2,0|0,0,0]=2 1057 B6R1.6 OCC1CNC1 A5874 [0,0,0,0,2,0|1,0,0]=3 1058 B6R1.6 OCC1CNC1 H12177 [0,0,0,0,2,0|1,0,0]=3 1059 B6R1.6 OCC1COC1 X6263 [0,0,0,0,2,0|1,0,0]=3 1060 B6R1.6 OCC1CSC1 T20107 [0,0,0,0,2,0|1,0,0]=3 1061 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,0,2,0|1,0,0]=3 1062 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,0,2,0|1,0,0]=3 1063 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,0,2,0|1,0,0]=3 1064 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,0,2,0|0,0,0]=2 1065 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,0,2,0|1,0,0]=3