0 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 CC1SCCCS1 M63108 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 CN1CCNCC1 M13367 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,0|0,0,0]=0 17 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,0,0,0|1,0,0]=1 23 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 FC1CCNCC1 F6080 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.3 IC1CCOCC1 I1189 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 IC1CCSCC1 I31818 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 NC1CCNCC1 P67610 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.3 NC1CCOCC1 A1504 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 NC1CCOCC1 T1169 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.3 NC1CCSCC1 T22381 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.3 NC1CCSCC1 T5312 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.3 NN1CCOCC1 A39946 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,0,0,0|1,0,3]=4 49 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,0,0,0|1,0,1]=2 50 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,0,0,0|2,0,1]=3 58 B7R1.3 O=C1COCCN1 M7700 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.3 O=C1COCCO1 D38663 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,0|2,0,1]=3 61 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.3 OC1CCNCC1 P24137 [0,0,0,0,0,0|3,0,0]=3 63 B7R1.3 OC1CCNCC1 P41321 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.3 OC1CCOCC1 H0389 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.3 OC1CCSCC1 H31816 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.3 OC1COCOC1 D38760 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,0|3,0,0]=3 68 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,0|3,0,0]=3 73 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,0|3,0,0]=3 74 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,0|3,0,0]=3 75 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.3 SC1CCNCC1 P11895 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,0|2,0,0]=2 80 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,0,0,0|3,0,0]=3 83 B6R1.1 C1=CCNCC1 T0540 [1,0,0,0,0,0|0,0,2]=3 84 B6R1.1 C1=CCOCC1 D10810 [1,0,0,0,0,0|1,0,2]=4 85 B6R1.1 C1CCNCC1 P67647 [1,0,0,0,0,0|0,0,0]=1 86 B6R1.1 C1CCNNC1 H8288 [1,0,0,0,0,0|1,0,0]=2 87 B6R1.1 C1CCONC1 X13780 [1,0,0,0,0,0|1,0,0]=2 88 B6R1.1 C1CCONC1 X40342 [1,0,0,0,0,0|1,0,0]=2 89 B6R1.1 C1CNCOC1 X40263 [1,0,0,0,0,0|1,0,0]=2 90 B6R1.1 C1CSCCN1 T17901 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.2 CCC1COCCN1 O5554 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.2 CCN1CCNCC1 E13368 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,0,0,0|0,0,0]=1 105 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.2 COC1CCNCC1 M0482 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.2 COC1CCNCC1 M1164 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,0,0,0|0,0,0]=1 122 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,0,0,0|0,0,0]=1 125 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,0,0,0|1,0,1]=3 129 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,0,0,0|0,0,1]=2 130 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,0,0,0|0,0,1]=2 134 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,0,0,0|0,0,1]=2 135 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,0,0,0|0,0,0]=1 149 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,0,0,0|1,0,2]=4 166 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,0,0,0|0,0,0]=1 167 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,0,0,0|0,0,0]=1 177 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,0|1,0,1]=3 194 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.3 CN1CCC(N)CC1 A7503 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.3 CN1CCN(N)CC1 M62380 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,0,0,0|0,0,0]=1 203 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,0,0,0|1,0,1]=3 204 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,0,0,0|1,0,0]=2 209 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,0,0,0|1,0,1]=3 210 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,0,0,0|1,0,0]=2 213 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.3 NC1CCC(Br)CC1 B41541 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,0,0,0|1,0,1]=3 219 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,0,0,0|1,0,2]=4 224 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.3 OC1COC(O)CO1 D2034 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,0,0,0|0,0,0]=1 232 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,0,0,0|1,0,0]=2 233 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,0,0,0|2,0,0]=3 243 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,0,0,0|2,0,1]=4 245 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,0|0,0,1]=2 246 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,0|1,0,1]=3 247 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,0,0,0|1,0,1]=3 250 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,0,0,0|1,0,1]=3 254 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,0,0,0|0,0,0]=1 256 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,0|0,0,1]=2 257 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,0|0,0,1]=2 258 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,0|0,0,1]=2 259 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,0|1,0,1]=3 260 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,0|1,0,1]=3 261 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,0|0,0,1]=2 262 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,0,0,0|1,0,1]=3 263 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,0,0,0|1,0,0]=2 264 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,0,0,0|1,0,1]=3 265 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,0,0,0|1,0,0]=2 266 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,0,0,0|1,0,0]=2 269 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,0,0,0|1,0,0]=2 272 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,0,0,0|0,0,0]=1 273 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,0,0,0|0,0,0]=1 274 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,0,0,0|2,0,0]=3 275 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,0,0,0|1,0,1]=3 283 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,0,0,0|1,0,1]=3 284 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,0,0,0|1,0,2]=4 285 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,0,0,0|1,0,2]=4 286 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,0,0,0|1,0,1]=3 287 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,0,0,0|1,0,1]=3 288 B8R1.5 CC1=NCCCN1C D39201 [0,1,0,0,0,0|1,0,1]=3 289 B8R1.5 CC1CCNCC1O H11697 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.5 CC1CCNCC1O H11698 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.5 CC1CNCCC1O M17031 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.5 CC1CNCCC1O M41575 [0,1,0,0,0,0|2,0,0]=3 293 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,0,0,0|2,0,1]=4 294 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,0,0,0|2,0,1]=4 295 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,0,0,0|1,0,0]=2 296 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,0,0,0|1,0,0]=2 300 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,0|1,0,0]=2 305 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,0|1,0,1]=3 306 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,0,0,0|1,0,0]=2 313 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.5 NC1COCCC1O A7869 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,0,0,0|1,0,1]=3 320 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,0,0,0|2,0,0]=3 324 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,0,0,0|1,0,1]=3 325 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,1,0,0,0,0|3,0,0]=4 326 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,1,0,0,0,0|3,0,0]=4 327 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,0,0,0|3,0,0]=4 328 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,1,0,0,0,0|3,0,0]=4 330 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,0,0,0|3,0,0]=4 331 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,0,0,0|2,0,0]=3 339 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,0,0,0|1,0,1]=3 343 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,0,0,0|1,0,1]=3 344 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,0,0,0|1,0,1]=3 345 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,1,0,0,0,0|3,0,0]=4 346 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,1,0,0,0,0|3,0,0]=4 347 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,0,0,0|3,0,0]=4 348 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,0,0,0|3,0,0]=4 349 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,0,0,0|3,0,0]=4 350 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,0,0,0|2,0,1]=4 353 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,0,0,0|3,0,0]=4 354 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,0,0,0|3,0,0]=4 355 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,0,0,0|3,0,0]=4 356 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,0,0,0|3,0,0]=4 357 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,0,0,0|1,0,1]=3 358 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,0,0,0|1,0,1]=3 359 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.5 OC1CCNCC1F F32301 [0,1,0,0,0,0|3,0,0]=4 361 B8R1.5 OC1CCOCC1F F20039 [0,1,0,0,0,0|3,0,0]=4 362 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,0,0,0|3,0,0]=4 363 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,0,0,0|3,0,0]=4 364 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,0,0,0|3,0,0]=4 365 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,0,0,0|3,0,0]=4 366 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,0,0,0|3,0,0]=4 368 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,0,0,0|3,0,0]=4 369 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,0,0,0|3,0,0]=4 370 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,0,0,0|3,0,0]=4 371 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,0,0,0|3,0,0]=4 372 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,0,0,0|3,0,0]=4 373 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,0,0,0|3,0,0]=4 374 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.72 CC1(C)CNCCN1 D13386 [0,1,0,0,0,0|1,0,0]=2 377 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.72 CC1(C)COCCN1 D24429 [0,1,0,0,0,0|1,0,0]=2 380 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,0,0,0|2,0,0]=3 382 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,0,0,0|1,0,0]=2 383 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,0,0,0|2,0,0]=3 385 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,0,0,0|2,0,0]=3 386 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,0,0,0|2,0,0]=3 387 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,0,0,0|2,0,0]=3 388 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,0,0,0|2,0,0]=3 389 B8R1.72 C[Si]1(C)CCNCC1 D29603 [0,1,0,0,0,0|2,1,0]=4 390 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,0,0,0|3,0,0]=4 391 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,0,0,0|3,0,0]=4 392 B8R1.72 FC1(F)CCNCC1 D41254 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.72 FC1(F)CCNCC1 D6081 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,0,0,0|2,0,0]=3 395 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,0,0,0|3,0,0]=4 397 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,1,0,0,0|2,0,0]=3 398 B6R0.1 CCC[C@H](N)CO A40443 [0,0,1,0,0,0|3,0,0]=4 399 B6R0.1 CCC[C@H](N)CO A66421 [0,0,1,0,0,0|3,0,0]=4 400 B6R0.1 CNC(=O)CCN A40306 [0,0,1,0,0,0|2,0,1]=4 401 B6R0.1 CO[C@@H](C)CCO M68623 [0,0,1,0,0,0|2,0,0]=3 402 B6R0.4 CC(=O)CCCCl C68599 [0,0,1,0,0,0|2,0,1]=4 403 B6R0.4 CC(=O)NCCN A68626 [0,0,1,0,0,0|2,0,1]=4 404 B6R0.4 CC(=O)NCCO H68625 [0,0,1,0,0,0|2,0,1]=4 405 B6R0.4 CC(C)=CCCBr B0351 [0,0,1,0,0,0|2,0,1]=4 406 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,1,0,0,0|2,0,1]=4 407 B6R0.4 CC(C)CCCO M67872 [0,0,1,0,0,0|2,0,0]=3 408 B6R0.4 CC(C)NCCCl C40431 [0,0,1,0,0,0|1,0,0]=2 409 B6R0.4 CC(C)OCCBr B69154 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.4 CCCCC(=N)N P41343 [0,0,1,0,0,0|1,0,1]=3 411 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|2,0,1]=4 412 B6R0.4 CCCOC(N)=O P40264 [0,0,1,0,0,0|2,0,1]=4 413 B6R0.4 CN(C)CCCBr B40430 [0,0,1,0,0,0|3,0,0]=4 414 B6R0.4 CN(C)CCCCl C69241 [0,0,1,0,0,0|3,0,0]=4 415 B6R0.4 CNCCN(C)C T41392 [0,0,1,0,0,0|3,0,0]=4 416 B6R0.4 NCCCC(N)=O A40304 [0,0,1,0,0,0|2,0,1]=4 417 B6R0.6 BrCCNCCBr B28721 [0,0,1,0,0,0|3,0,0]=4 418 B6R0.6 C#CCCCCI K43321 [0,0,1,0,0,0|1,0,2]=4 419 B6R0.6 C#CCCCCO H41456 [0,0,1,0,0,0|1,0,2]=4 420 B6R0.6 C=CCCCCBr B9212 [0,0,1,0,0,0|1,0,2]=4 421 B6R0.6 C=CCCCCO H41549 [0,0,1,0,0,0|1,0,2]=4 422 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,1,0,0,0|1,0,2]=4 423 B6R0.6 CC=CCCCO H41548 [0,0,1,0,0,0|1,0,2]=4 424 B6R0.6 CCCCCC[Mg+] H31703 [0,0,1,0,0,0|1,0,0]=2 425 B6R0.6 CCCCCNC M41618 [0,0,1,0,0,0|2,0,0]=3 426 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,0,1,0,0,0|2,0,1]=4 427 B6R0.6 CCC\C=C\CO H41550 [0,0,1,0,0,0|1,0,2]=4 428 B6R0.6 CCOCCC#N E41255 [0,0,1,0,0,0|1,0,2]=4 429 B6R0.6 CNCCCCBr B40429 [0,0,1,0,0,0|2,0,0]=3 430 B6R0.6 CNCCCCO M38840 [0,0,1,0,0,0|2,0,0]=3 431 B6R0.6 COCCCCBr B40422 [0,0,1,0,0,0|2,0,0]=3 432 B6R0.6 ClCCCCCBr B39164 [0,0,1,0,0,0|2,0,0]=3 433 B6R0.6 ClCCNCCCl B69332 [0,0,1,0,0,0|3,0,0]=4 434 B6R0.6 FCCCCCBr B37978 [0,0,1,0,0,0|2,0,0]=3 435 B6R0.6 ICCCCCI D24633 [0,0,1,0,0,0|2,0,0]=3 436 B6R0.6 N#CCCCCBr B41217 [0,0,1,0,0,0|1,0,2]=4 437 B6R0.6 N#CCCCCCl C69554 [0,0,1,0,0,0|1,0,2]=4 438 B6R0.6 N#CCCCCN A6983 [0,0,1,0,0,0|1,0,1]=3 439 B6R0.6 NCCNCCO A68374 [0,0,1,0,0,0|2,0,0]=3 440 B6R0.6 NCCOCCN X39968 [0,0,1,0,0,0|2,0,0]=3 441 B6R0.6 NCCOCCN X40357 [0,0,1,0,0,0|2,0,0]=3 442 B6R0.6 O=CCCCCCl C41277 [0,0,1,0,0,0|2,0,1]=4 443 B6R0.6 O=CCCCCO H32202 [0,0,1,0,0,0|2,0,1]=4 444 B6R0.6 OCCOCCCl C60784 [0,0,1,0,0,0|3,0,0]=4 445 B6R0.6 OCCOCCO D43939 [0,0,1,0,0,0|3,0,0]=4 446 B6R0.6 [N-]=[N+]=NCCCN A2033 [0,0,1,0,0,0|3,0,0]=4 447 B8R2.11 NC1C2COCC12 X38891 [0,0,0,1,0,0|3,0,0]=4 448 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,1,0,0|3,0,0]=4 449 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,1,0,0|3,0,0]=4 450 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,1,0,0|2,0,0]=3 451 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|2,0,1]=4 452 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,1,0,0|2,0,0]=3 453 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,1,0,0|2,0,0]=3 454 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,1,0,0|2,0,0]=3 455 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,1,0,0|1,0,0]=2 456 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,1,0,0|3,0,0]=4 457 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,1,0,0|1,0,0]=2 458 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,1,0,0|1,0,0]=2 459 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,1,0,0|0,0,2]=3 460 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,1,0,0|0,0,2]=3 461 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,1,0,0|2,0,0]=3 462 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,1,0,0|2,0,0]=3 463 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,1,0,0|1,0,0]=2 464 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,1,0,0|1,0,0]=2 465 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,1,0,0|1,0,0]=2 466 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,1,0,0|1,0,0]=2 467 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,1,0,0|1,0,0]=2 468 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,1,0,0|1,0,0]=2 469 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,1,0,0|1,0,0]=2 470 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,1,0|2,0,0]=3 471 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,1,0|2,0,0]=3 472 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,1,0|0,0,2]=3 473 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,1,0|0,0,0]=1 474 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,1,0|1,0,0]=2 475 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,1,0|0,0,0]=1 476 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,1,0|0,0,0]=1 477 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,1,0|0,0,0]=1 478 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,1,0|1,0,0]=2 479 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,1,0|1,0,0]=2 480 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,1,0|2,0,0]=3 481 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,1,0|2,0,0]=3 482 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,1,0|2,0,0]=3 483 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,1,0|1,0,0]=2 484 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,1,0|2,0,0]=3 485 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,1,0|2,0,0]=3 486 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,1,0|2,0,0]=3 487 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,1,0|1,0,2]=4 488 B6R1.2 NC1CC=CC1 A13279 [0,0,0,0,1,0|1,0,2]=4 489 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,1,0|2,0,0]=3 490 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,1,0|2,0,0]=3 491 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,1,0|2,0,0]=3 492 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,1,0|2,0,0]=3 493 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,1,0|2,0,0]=3 494 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,1,0|2,0,0]=3 495 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,1,0|2,0,0]=3 496 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,1,0|2,0,0]=3 497 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,1,0|2,0,0]=3 498 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,1,0|2,0,0]=3 499 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,1,0|2,0,1]=4 500 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,1,0|2,0,1]=4 501 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,1,0|2,0,1]=4 502 B6R1.2 O=C1CCSC1 D10906 [0,0,0,0,1,0|2,0,1]=4 503 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,1,0|2,0,1]=4 504 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,1,0|2,0,1]=4 505 B6R1.2 OC1CC=CC1 C67522 [0,0,0,0,1,0|1,0,2]=4 506 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,1,0|2,0,0]=3 507 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,1,0|2,0,0]=3 508 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,1,0|2,0,0]=3 509 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,1,0|2,0,0]=3 510 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,1,0|2,0,0]=3 511 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,1,0|2,0,0]=3 512 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,1,0|2,0,0]=3 513 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,1,0|2,0,0]=3 514 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,0,1,0|3,0,0]=4 515 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,1,0|2,0,0]=3 516 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,0,0,1|2,0,0]=3 517 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,0,0,1|0,0,0]=1 518 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,0,0,1|2,0,0]=3 519 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,0,0,1|1,0,0]=2 520 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,0,0,1|1,0,0]=2 521 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,0,0,1|2,0,1]=4 522 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,0,0,1|2,0,1]=4 523 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,0,0,1|1,0,1]=3 524 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,0,0,1|1,0,1]=3 525 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,0,0,1|1,0,1]=3 526 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,0,0,1|2,0,0]=3 527 B5R0.1 CC(C)CNN B40316 [1,0,1,0,0,0|2,0,0]=4 528 B5R0.1 CCC[C@@H](C)N P16023 [1,0,1,0,0,0|0,0,0]=2 529 B5R0.1 CCC[C@H](C)N P22363 [1,0,1,0,0,0|0,0,0]=2 530 B5R0.1 CN(C)CCBr B39953 [1,0,1,0,0,0|2,0,0]=4 531 B5R0.1 COC[C@@H](C)N M40311 [1,0,1,0,0,0|1,0,0]=3 532 B5R0.1 COC[C@@H](C)O M39959 [1,0,1,0,0,0|2,0,0]=4 533 B5R0.1 COC[C@H](C)O M61064 [1,0,1,0,0,0|2,0,0]=4 534 B5R0.1 C[C@@H](N)CCO A10772 [1,0,1,0,0,0|1,0,0]=3 535 B5R0.1 C[C@H](N)CCO A10771 [1,0,1,0,0,0|1,0,0]=3 536 B5R0.1 C[C@H](N)CCO A39964 [1,0,1,0,0,0|1,0,0]=3 537 B5R0.1 C[C@H](O)CCO B68917 [1,0,1,0,0,0|2,0,0]=4 538 B5R0.2 BrCCCCBr D69410 [1,0,1,0,0,0|2,0,0]=4 539 B5R0.2 C#CCCCN P41368 [1,0,1,0,0,0|0,0,2]=4 540 B5R0.2 CCCCON B40310 [1,0,1,0,0,0|1,0,0]=3 541 B5R0.2 CNCCCCl C39954 [1,0,1,0,0,0|1,0,0]=3 542 B5R0.2 CNCCCO M36844 [1,0,1,0,0,0|1,0,0]=3 543 B5R0.2 CNCCOC M23409 [1,0,1,0,0,0|1,0,0]=3 544 B5R0.2 COCCCBr B68335 [1,0,1,0,0,0|2,0,0]=4 545 B5R0.2 COCCCO M69411 [1,0,1,0,0,0|2,0,0]=4 546 B5R0.2 ClCCCCI C40239 [1,0,1,0,0,0|2,0,0]=4 547 B5R0.2 ICCCCI D37834 [1,0,1,0,0,0|2,0,0]=4 548 B5R0.2 NCCCCBr B39952 [1,0,1,0,0,0|1,0,0]=3 549 B5R0.2 NCCCCN D39162 [1,0,1,0,0,0|1,0,0]=3 550 B5R0.2 OCCCCBr B67330 [1,0,1,0,0,0|2,0,0]=4 551 B5R0.3 CC(CBr)CBr D40238 [1,0,1,0,0,0|2,0,0]=4 552 B5R0.3 CC(CO)CO M60880 [1,0,1,0,0,0|2,0,0]=4 553 B5R0.3 CCC(N)CC P40440 [1,0,1,0,0,0|1,0,0]=3 554 B5R0.3 CC[C@@H](N)CO A39144 [1,0,1,0,0,0|2,0,0]=4 555 B5R0.3 CC[C@@H](O)CO B39955 [1,0,1,0,0,0|2,0,0]=4 556 B5R0.3 CC[C@H](N)CO A39145 [1,0,1,0,0,0|2,0,0]=4 557 B5R0.3 CC[C@H](O)CO B39956 [1,0,1,0,0,0|2,0,0]=4 558 B5R0.3 CO[C@@H](C)CN M40313 [1,0,1,0,0,0|2,0,0]=4 559 B5R0.3 CO[C@@H](C)CO M68380 [1,0,1,0,0,0|2,0,0]=4 560 B5R0.3 CO[C@H](C)CN M40312 [1,0,1,0,0,0|2,0,0]=4 561 B5R0.3 CO[C@H](C)CO M68381 [1,0,1,0,0,0|2,0,0]=4 562 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,1,0,0,0|2,0,0]=4 563 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,1,0,0,0|2,0,0]=4 564 B7R0.7 CCNC(=O)NCC D40424 [0,1,1,0,0,0|1,0,1]=4 565 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,1,0,0,0|2,0,0]=4 566 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,1,0,0,0|1,0,1]=4 567 B7R0.12 COC(CCBr)OC B40419 [0,1,1,0,0,0|2,0,0]=4 568 B7R0.12 COCC(OC)OC T40436 [0,1,1,0,0,0|2,0,0]=4 569 B7R0.4 CC(=O)CCCCBr B41532 [0,1,1,0,0,0|1,0,1]=4 570 B7R0.4 CC(C)CCCCBr B43898 [0,1,1,0,0,0|1,0,0]=3 571 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,1,0,0,0|1,0,0]=3 572 B7R0.4 CCCCOC(N)=O B39165 [0,1,1,0,0,0|1,0,1]=4 573 B7R0.4 CN(C)CCCCO D41621 [0,1,1,0,0,0|2,0,0]=4 574 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,1,0,0,0|2,0,0]=4 575 B7R0.6 CC(=O)NNC(C)C P40426 [0,1,1,0,0,0|1,0,1]=4 576 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,1,0,0,0|1,0,0]=3 577 B7R0.1 BrCCCCCCBr D41534 [0,1,1,0,0,0|1,0,0]=3 578 B7R0.1 C#CCCCCCO H67855 [0,1,1,0,0,0|1,0,1]=4 579 B7R0.1 C=CCCCCCBr B43831 [0,1,1,0,0,0|1,0,1]=4 580 B7R0.1 C=CCCCCNC M43901 [0,1,1,0,0,0|0,0,2]=4 581 B7R0.1 C=CCCCCNC M46504 [0,1,1,0,0,0|0,0,2]=4 582 B7R0.1 CCCCCCCBr B43897 [0,1,1,0,0,0|1,0,0]=3 583 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,1,0,0,0|1,0,0]=3 584 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.1 CNCCCCNC D41624 [0,1,1,0,0,0|1,0,0]=3 586 B7R0.1 COCCOCCI K40420 [0,1,1,0,0,0|2,0,0]=4 587 B7R0.1 COCCOCCN M38824 [0,1,1,0,0,0|1,0,0]=3 588 B7R0.1 ClCCCCCCBr B39200 [0,1,1,0,0,0|1,0,0]=3 589 B7R0.1 ClCCCCCCI C38559 [0,1,1,0,0,0|1,0,0]=3 590 B7R0.1 ICCCCCCI D41535 [0,1,1,0,0,0|1,0,0]=3 591 B7R0.1 NCCCCCCN H68834 [0,1,1,0,0,0|0,0,0]=2 592 B7R0.1 NCCCCCCO A36606 [0,1,1,0,0,0|0,0,0]=2 593 B7R0.1 NCCCNCCBr B40441 [0,1,1,0,0,0|1,0,0]=3 594 B7R0.1 NCCCNCCO H38578 [0,1,1,0,0,0|1,0,0]=3 595 B7R0.1 OCCCCCCBr B41603 [0,1,1,0,0,0|1,0,0]=3 596 B7R0.1 OCCCCCCCl C64682 [0,1,1,0,0,0|1,0,0]=3 597 B7R0.1 OCCCCCCI I4468 [0,1,1,0,0,0|1,0,0]=3 598 B7R0.1 [N-]=[N+]=NCCCCN A1951 [0,1,1,0,0,0|2,0,0]=4 599 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,1,0|0,0,2]=4 600 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,0,1,0|0,0,0]=2 601 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,0,1,0|1,0,0]=3 602 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,0,1,0|1,0,0]=3 603 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,0,1,0|1,0,1]=4 604 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,0,1,0|1,0,0]=3 605 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,0,1,0|1,0,0]=3 606 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,0,1,0|1,0,0]=3 607 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,0,1,0|1,0,0]=3 608 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,1,0|0,0,2]=4 609 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,0,1,0|1,0,0]=3 610 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,0,1,0|1,0,0]=3 611 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,0,1,0|1,0,0]=3 612 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,0,1,0|1,0,0]=3 613 B7R1.1 ClCC1=NCCN1 C69471 [0,1,0,0,1,0|1,0,1]=4 614 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,0,1,0|0,0,0]=2 615 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,0,1,0|1,0,0]=3 616 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,0,1,0|0,0,0]=2 617 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,0,1,0|1,0,0]=3 618 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,1,0,0,1,0|0,0,1]=3 619 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,1,0,0,1,0|0,0,1]=3 620 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,1,0,0,1,0|0,0,1]=3 621 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,1,0,0,1,0|0,0,1]=3 622 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,0,1,0|1,0,1]=4 623 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,0,1,0|1,0,1]=4 624 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,1,0,0,1,0|0,0,1]=3 625 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,1,0,0,1,0|0,0,1]=3 626 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,0,1,0|1,0,1]=4 627 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,0,1,0|1,0,1]=4 628 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,0,1,0|1,0,1]=4 629 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,0,1,0|1,0,1]=4 630 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,0,1,0|1,0,1]=4 631 B7R1.1 NCC1CCCC1 C5395 [0,1,0,0,1,0|0,0,0]=2 632 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,0,1,0|0,0,0]=2 633 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,0,1,0|1,0,0]=3 634 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,0,1,0|1,0,0]=3 635 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,0,1,0|1,0,0]=3 636 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,0,1,0|0,0,0]=2 637 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,0,1,0|1,0,0]=3 638 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,0,1,0|1,0,0]=3 639 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,0,1,0|1,0,0]=3 640 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,0,1,0|1,0,0]=3 641 B7R1.1 NNC1CCCC1 C22580 [0,1,0,0,1,0|1,0,0]=3 642 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,1,0|0,0,1]=3 643 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,0,1,0|0,0,2]=4 644 B7R1.1 OCC1CCCC1 C23297 [0,1,0,0,1,0|0,0,0]=2 645 B7R1.1 OCC1OCCO1 D40256 [0,1,0,0,1,0|2,0,0]=4 646 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,0,1,0|0,0,0]=2 647 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,0,1,0|0,0,0]=2 648 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,0,1,0|1,0,0]=3 649 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,0,1,0|1,0,0]=3 650 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,0,1,0|1,0,0]=3 651 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,0,1,0|1,0,0]=3 652 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,0,1,0|0,0,0]=2 653 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,0,1,0|0,0,0]=2 654 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,0,1,0|1,0,0]=3 655 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,0,1,0|1,0,0]=3 656 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,0,1,0|1,0,0]=3 657 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,0,1,0|1,0,0]=3 658 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,0,1,0|1,0,0]=3 659 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,0,1,0|1,0,0]=3 660 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,0,1,0|1,0,0]=3 661 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,0,1,0|1,0,0]=3 662 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,0,1,0|1,0,0]=3 663 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,0,1,0|1,0,1]=4 664 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,0,1,0|1,0,0]=3 665 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,0,1,0|1,0,0]=3 666 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,0,1,0|1,0,0]=3 667 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,0,1,0|1,0,0]=3 668 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,0,1,0|1,0,0]=3 669 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,0,1,0|1,0,0]=3 670 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,0,1,0|0,0,0]=2 671 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,0,1,0|1,0,1]=4 672 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,0,1,0|1,0,1]=4 673 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,0,1,0|0,0,0]=2 674 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,1,0|0,0,1]=3 675 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,0,1,0|1,0,1]=4 676 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,0,1,0|0,0,0]=2 677 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,0,1,0|1,0,0]=3 678 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,0,1,0|1,0,0]=3 679 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,0,1,0|1,0,0]=3 680 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,0,1,0|1,0,0]=3 681 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,0,1,0|1,0,1]=4 682 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,0,1,0|1,0,1]=4 684 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,0,1,0|1,0,1]=4 685 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,0,1,0|1,0,0]=3 686 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,0,1,0|1,0,0]=3 687 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,0,1,0|1,0,0]=3 688 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,0,1,0|1,0,0]=3 689 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,0,1,0|1,0,0]=3 690 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,0,1,0|1,0,0]=3 691 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,0,1,0|1,0,1]=4 692 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,0,1,0|1,0,1]=4 693 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,0,1,0|1,0,1]=4 694 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,0,1,0|1,0,1]=4 695 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,0,1,0|1,0,1]=4 696 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,0,1,0|1,0,1]=4 697 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,0,1,0|1,0,0]=3 698 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,0,1,0|1,0,0]=3 699 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,0,1,0|1,0,0]=3 700 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,1,0|1,0,1]=4 701 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,0,1,0|1,0,0]=3 702 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,0,1,0|1,0,0]=3 703 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,1,0|1,0,1]=4 704 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,1,0|0,0,1]=3 705 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,1,0|1,0,1]=4 706 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,1,0|1,0,1]=4 707 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,1,0,0,1,0|2,0,0]=4 709 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,1,0,0,1,0|2,0,0]=4 710 B7R1.4 NC1CCCC1O A40401 [0,1,0,0,1,0|1,0,0]=3 711 B7R1.4 NC1COCC1O A32163 [0,1,0,0,1,0|2,0,0]=4 712 B7R1.4 NN1CCCC1=O A22230 [0,1,0,0,1,0|1,0,1]=4 713 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,0,1,0|1,0,0]=3 714 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,0,1,0|1,0,0]=3 715 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,0,1,0|1,0,0]=3 716 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,0,1,0|1,0,0]=3 717 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,0,1,0|1,0,0]=3 718 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,0,1,0|1,0,0]=3 719 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,0,1,0|1,0,1]=4 720 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,0,1,0|1,0,1]=4 721 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,1,0,0,1,0|2,0,0]=4 722 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,0,1,0|2,0,0]=4 723 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,0,1,0|2,0,0]=4 724 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,0,1,0|2,0,0]=4 725 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,0,1,0|2,0,0]=4 726 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,0,1,0|2,0,0]=4 727 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,0,1,0|2,0,0]=4 728 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,0,1,0|1,0,0]=3 729 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,0,1,0|1,0,0]=3 730 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,0,1,0|1,0,1]=4 731 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,0,1,0|2,0,0]=4 732 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,0,1,0|2,0,0]=4 733 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,0,1,0|2,0,0]=4 734 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,0,1,0|1,0,1]=4 735 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,0,1,0|1,0,1]=4 736 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,0,1,0|1,0,1]=4 737 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,0,1,0|1,0,0]=3 738 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,0,1,0|2,0,0]=4 739 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,0,1,0|2,0,0]=4 740 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,0,1,0|2,0,0]=4 741 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,0,1,0|2,0,0]=4 742 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,0,1,0|2,0,0]=4 743 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,0,1,0|2,0,0]=4 744 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,0,1,0|2,0,0]=4 745 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,0,1,0|2,0,0]=4 746 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,0,1,0|2,0,0]=4 747 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,0,1,0|0,0,0]=2 748 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,0,1,0|1,0,0]=3 749 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,0,1,0|0,0,0]=2 750 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,0,1,0|1,0,0]=3 751 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,0,1,0|1,0,0]=3 752 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,0,1,0|1,0,0]=3 753 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,0,1,0|1,0,0]=3 754 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,0,1,0|1,0,0]=3 755 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,0,1,0|1,0,0]=3 756 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,0,1,0|1,0,0]=3 757 B7R1.14 FC1(F)CCNC1 D5712 [0,1,0,0,1,0|2,0,0]=4 758 B7R1.14 O=S1(=O)CCCN1 P12719 [0,1,0,0,1,0|2,0,0]=4 759 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,0,0,1|1,0,1]=4 760 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,0,0,1|1,0,1]=4 761 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,0,0,1|1,0,1]=4 762 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,0,0,1|1,0,1]=4 763 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,0,0,1|1,0,0]=3 764 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,0,0,1|1,0,0]=3 765 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,0,0,1|1,0,0]=3 766 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,0,0,1|0,0,1]=3 767 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,0,0,1|1,0,1]=4 768 B9R1.49 CN1CCC[C@H](N)CC1 M0131 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,0,0,1|1,0,1]=4 771 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,0,0,1|1,0,1]=4 772 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,0,0,1|1,0,1]=4 773 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,0,0,1|0,0,2]=4 774 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,0,0,1|1,0,0]=3 775 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.89 N#CC1CCCCCC1 C62451 [0,1,0,0,0,1|1,0,1]=4 777 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,1,0,0,0,1|1,0,1]=4 778 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,0,0,1|1,0,0]=3 779 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,1,0,0,0,1|0,0,0]=2 780 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,1,0,0,0,1|0,0,0]=2 781 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,1,0,0,0,1|1,0,0]=3 782 B9R1.148 FC1(F)CCCNCC1 D1639 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 E59721 [0,2,0,0,0,0|1,0,1]=4 784 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 E60262 [0,2,0,0,0,0|1,0,1]=4 785 B9R1.1 CC1CCC(CO)CN1 M29794 [0,2,0,0,0,0|0,0,0]=2 786 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.1 CCC1CCC(O)CC1 E47155 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.1 CCN1CCC(O)CC1 E23233 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.1 CN1CCC(C#N)CC1 M64041 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.1 CN1CCC(CN)CC1 M7514 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.1 CN1CCC(CO)CC1 M0388 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.1 CN1CCC(NN)CC1 H41619 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.1 CNC1CCC(O)CC1 M43910 [0,2,0,0,0,0|1,0,0]=3 794 B9R1.1 CNC1CCN(C)CC1 M25129 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,2,0,0,0,0|1,0,0]=3 799 B9R1.1 COC1CCC(N)CC1 M43906 [0,2,0,0,0,0|1,0,0]=3 800 B9R1.1 COC1CCC(O)CC1 M43887 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.1 N#CC1CCC(N)CC1 A46478 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.1 N#CC1CCC(O)CC1 H43771 [0,2,0,0,0,0|1,0,1]=4 805 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,2,0,0,0,0|1,0,1]=4 806 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,2,0,0,0,0|1,0,0]=3 807 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,2,0,0,0,0|1,0,0]=3 810 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.2 CC1CCCC(CO)N1 M13497 [0,2,0,0,0,0|0,0,0]=2 814 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,2,0,0,0,0|2,0,0]=4 817 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,2,0,0,0,0|2,0,0]=4 820 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.2 CN1CCO[C@@H](CN)C1 M38222 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.2 CN1CCO[C@@H](CO)C1 M62084 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.2 CN1CCO[C@@H](CO)C1 M62085 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.2 CN1CCO[C@H](CO)C1 M62083 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.2 CN[C@H]1CCCN(C)C1 D63768 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,2,0,0,0,0|1,0,0]=3 827 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 M60297 [0,2,0,0,0,0|0,0,0]=2 828 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,2,0,0,0,0|0,0,1]=3 829 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,2,0,0,0,0|1,0,1]=4 830 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,2,0,0,0,0|1,0,1]=4 832 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.6 CN(C)C1CCNCC1 D23980 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.6 CN(C)C1CCNCC1 D46522 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.6 CN(C)C1CCNCC1 D46603 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.6 FC(F)C1CCNCC1 D1937 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.6 FC(F)[C@H]1CCCNC1 D6079 [0,2,0,0,0,0|2,0,0]=4 841 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,2,0,0,0,0|1,0,1]=4 842 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,2,0,0,0,0|0,0,1]=3 843 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,2,0,0,0,0|0,0,1]=3 844 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,2,0,0,0,0|1,0,1]=4 845 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,2,0,0,0,0|1,0,1]=4 846 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,2,0,0,0,0|1,0,1]=4 847 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,2,0,0,0,0|1,0,1]=4 848 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,2,0,0,0,0|1,0,1]=4 849 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,2,0,0,0,0|1,0,1]=4 850 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,2,0,0,0,0|1,0,1]=4 851 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,2,0,0,0,0|1,0,1]=4 852 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,2,0,0,0,0|0,0,1]=3 853 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,2,0,0,0,0|1,0,1]=4 854 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,2,0,0,0,0|1,0,1]=4 855 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,2,0,0,0,0|1,0,1]=4 856 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,2,0,0,0,0|1,0,1]=4 857 B9R1.6 OB(O)C1CCCCC1 C2380 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.8 BrCCC1CCCCC1 B0374 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.8 BrCCC1OCCCO1 B41524 [0,2,0,0,0,0|2,0,0]=4 860 B9R1.8 BrCCN1CCCCC1 B43882 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.8 CCCC1CCNCC1 P49579 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,2,0,0,0,0|0,0,0]=2 864 B9R1.8 CCNC1CCOCC1 E43915 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.8 CNCC1CCOCC1 M1162 [0,2,0,0,0,0|2,0,0]=4 866 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,2,0,0,0,0|2,0,0]=4 867 B9R1.8 COCC1CCNCC1 M14337 [0,2,0,0,0,0|2,0,0]=4 868 B9R1.8 COCC1CCNCC1 M26475 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.8 COC[C@@H]1CNCCO1 M43500 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.8 COC[C@@H]1COCCN1 M43499 [0,2,0,0,0,0|1,0,0]=3 871 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,2,0,0,0,0|0,0,0]=2 872 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,2,0,0,0,0|0,0,0]=2 873 B9R1.8 COC[C@H]1CNCCO1 M41585 [0,2,0,0,0,0|2,0,0]=4 874 B9R1.8 COC[C@H]1CNCCO1 M43493 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.8 COC[C@H]1CNCCO1 M43498 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.8 COC[C@H]1COCCN1 M43494 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.8 ClCCN1CCCCC1 C13526 [0,2,0,0,0,0|2,0,0]=4 878 B9R1.8 ICCC1CCCCC1 I0264 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.8 N#CCC1CCCCC1 C47050 [0,2,0,0,0,0|1,0,0]=3 880 B9R1.8 N#CCC1CCNCC1 P0816 [0,2,0,0,0,0|2,0,0]=4 881 B9R1.8 N#CCC1CCOCC1 T43772 [0,2,0,0,0,0|2,0,0]=4 882 B9R1.8 N#CC[C@@H]1CNCCN1 P59980 [0,2,0,0,0,0|1,0,0]=3 883 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,2,0,0,0,0|2,0,0]=4 884 B9R1.8 NCCC1CCCCC1 C49581 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.8 NCCC1CCOCC1 A1671 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.8 NCCC1CCOCC1 T46515 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.8 NCCN1CCCCC1 P22781 [0,2,0,0,0,0|2,0,0]=4 888 B9R1.8 NCCN1CCCCC1 P46604 [0,2,0,0,0,0|2,0,0]=4 889 B9R1.8 NNCC1CCOCC1 T18614 [0,2,0,0,0,0|2,0,0]=4 890 B9R1.8 O=CCC1CCOCC1 T12448 [0,2,0,0,0,0|2,0,0]=4 891 B9R1.8 OCCC1CCNCC1 P24598 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.8 OCCC1CCOCC1 H10319 [0,2,0,0,0,0|2,0,0]=4 893 B9R1.8 OCCC1SCCCS1 D41570 [0,2,0,0,0,0|2,0,0]=4 894 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,2,0,0,0,0|0,0,0]=2 895 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,2,0,0,0,0|1,0,0]=3 896 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,2,0,0,0,0|0,0,0]=2 897 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,2,0,0,0,0|0,0,0]=2 898 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,2,0,0,0,0|0,0,0]=2 899 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,2,0,0,0,0|1,0,0]=3 901 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,2,0,0,0,0|2,0,0]=4 905 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,2,0,0,0,0|0,0,0]=2 906 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,2,0,0,0,0|0,0,0]=2 907 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,2,0,0,0,0|0,0,0]=2 908 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,2,0,0,0,0|0,0,0]=2 909 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,2,0,0,0,0|1,0,0]=3 910 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,2,0,0,0,0|1,0,0]=3 911 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.15 CO[C@@H]1CCNC[C@H]1O M20588 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.15 CO[C@@H]1COCC[C@@H]1N M59942 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.15 CO[C@@H]1COCC[C@H]1N A10508 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.15 CO[C@H]1COCC[C@@H]1N A10509 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.15 CO[C@H]1COCC[C@H]1N A1571 [0,2,0,0,0,0|2,0,0]=4 918 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,2,0,0,0,0|2,0,0]=4 921 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,2,0,0,0,0|2,0,0]=4 923 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,2,0,0,0,0|2,0,0]=4 924 B9R1.118 C#CC1(C)CCOCC1 E14520 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.118 CC1(C#N)CCNCC1 P26820 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.118 CC1(C#N)CCOCC1 M25725 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.118 CC1(C=O)CCOCC1 M29900 [0,2,0,0,0,0|2,0,0]=4 928 B9R1.118 CC1(CN)CCOCC1 A14519 [0,2,0,0,0,0|2,0,0]=4 929 B9R1.118 CC1(CO)CCNCC1 H7952 [0,2,0,0,0,0|2,0,0]=4 930 B9R1.118 CC1(CO)CCOCC1 H14518 [0,2,0,0,0,0|2,0,0]=4 931 B9R1.118 CCC1(N)CCOCC1 E29635 [0,2,0,0,0,0|2,0,0]=4 932 B9R1.118 CCC1(O)CCNCC1 E1770 [0,2,0,0,0,0|2,0,0]=4 933 B9R1.118 CCC1(O)CCNCC1 E7766 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.118 COC1(C)CCNCC1 M46510 [0,2,0,0,0,0|2,0,0]=4 935 B9R1.118 C[C@]1(CO)CCCNC1 H1804 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.118 C[C@]1(CO)CCCNC1 H7938 [0,2,0,0,0,0|2,0,0]=4 937 B9R1.118 NC1(CO)CCOCC1 A1161 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.118 NCC1(F)CCOCC1 A11518 [0,2,0,0,0,0|2,0,0]=4 939 B9R1.118 NCC1(F)CCOCC1 F37083 [0,2,0,0,0,0|2,0,0]=4 940 B9R1.118 NCC1(N)CCCCC1 A62273 [0,2,0,0,0,0|1,0,0]=3 941 B9R1.118 NCC1(O)CCCCC1 A63077 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.118 NCC1(O)CCOCC1 A15691 [0,2,0,0,0,0|2,0,0]=4 943 B9R1.118 OC1(CF)CCNCC1 F11344 [0,2,0,0,0,0|2,0,0]=4 944 B9R1.118 OCC1(F)CCNCC1 F1707 [0,2,0,0,0,0|2,0,0]=4 945 B9R1.118 OCC1(F)CCNCC1 F36854 [0,2,0,0,0,0|2,0,0]=4 946 B9R1.118 OCC1(F)CCOCC1 H8035 [0,2,0,0,0,0|2,0,0]=4 947 B9R1.118 OCC1(O)CCNCC1 H0546 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.118 OCC1(O)CCNCC1 H7646 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.118 OC[C@]1(O)CCCNC1 H0769 [0,2,0,0,0,0|2,0,0]=4 950 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,2,0,0,0,0|1,0,1]=4 951 B9R1.10 CC1(C)CCC(N)CC1 D22258 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.10 CC1(C)CCC(O)CC1 D26593 [0,2,0,0,0,0|1,0,0]=3 953 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,2,0,0,0,0|1,0,1]=4 954 B9R1.10 CC1(C)OCC(N)CO1 D38861 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.10 CC1(O)CCC(N)CC1 A12148 [0,2,0,0,0,0|1,0,0]=3 956 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A15689 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A26537 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 A11689 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 M29578 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8199 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8200 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.10 FC1(F)CCC(Br)CC1 B29545 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.10 NC1CCC(F)(F)CC1 D5736 [0,2,0,0,0,0|2,0,0]=4 964 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,2,0,0,0,0|1,0,1]=4 965 B9R1.10 OC1CCC(F)(F)CC1 D22468 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.69 CC1CC(N)CCN1C D13560 [0,2,0,0,0,0|0,0,0]=2 967 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,2,0,0,0,0|1,0,1]=4 968 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,2,0,0,0,0|1,0,1]=4 969 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,2,0,0,0,0|1,0,1]=4 970 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,2,0,0,0,0|1,0,1]=4 971 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,2,0,0,0,0|1,0,1]=4 972 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,2,0,0,0,0|1,0,1]=4 973 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,2,0,0,0,0|1,0,1]=4 974 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,2,0,0,0,0|1,0,1]=4 975 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.69 C[C@H]1CN(C)[C@H](C)CN1 T10146 [0,2,0,0,0,0|1,0,0]=3 977 B9R1.69 C[C@H]1CN[C@H](C)CN1C T11952 [0,2,0,0,0,0|1,0,0]=3 978 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,2,0,0,0,0|1,0,1]=4 979 B9R1.3 CC1CCCC(O)C1C D47156 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,2,0,0,0,0|1,0,1]=4 982 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,2,0,0,0,0|1,0,1]=4 983 B9R1.3 C[C@@H]1CNC[C@@H](C)N1C T60283 [0,2,0,0,0,0|1,0,0]=3 984 B9R1.3 C[C@H]1CNC[C@@H](C)N1C T10648 [0,2,0,0,0,0|1,0,0]=3 985 B9R1.3 C[C@H]1CNC[C@@H](C)N1C T10649 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.3 C[C@H]1CNC[C@H](C)N1C T60248 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.3 C[C@H]1CNC[C@H](C)N1C T60282 [0,2,0,0,0,0|1,0,0]=3 988 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,2,0,0,0,0|1,0,1]=4 989 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,2,0,0,0,0|0,0,1]=3 990 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,2,0,0,0,0|1,0,1]=4 991 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,2,0,0,0,0|1,0,1]=4 992 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.66 CC1(C)C[C@@H](N)CCO1 D22688 [0,2,0,0,0,0|1,0,0]=3 994 B9R1.66 CC1(C)C[C@@H](O)CCN1 D43908 [0,2,0,0,0,0|0,0,0]=2 995 B9R1.66 CC1(C)C[C@@H](O)CCN1 D62322 [0,2,0,0,0,0|0,0,0]=2 996 B9R1.66 CN1CCC[C@](C)(N)C1 D17891 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.66 C[C@H]1CC(F)(F)CCN1 D7668 [0,2,0,0,0,0|0,0,0]=2 998 B9R1.40 CC1(C)CCCOC1=O D63281 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.40 CC1(C)CNCCC1=O D11692 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.40 CC1(C)CNCC[C@@H]1O D11693 [0,2,0,0,0,0|2,0,0]=4 1001 B9R1.40 CC1(C)COCCC1=O D24609 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.40 CC1(C)COCC[C@@H]1N D15687 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.40 CC1(C)NCCNC1=O D10774 [0,2,0,0,0,0|1,0,1]=4 1004 B9R1.40 C[C@H]1CCNCC1(F)F D14886 [0,2,0,0,0,0|2,0,0]=4 1005 B9R1.40 N[C@@H]1CCCCC1(F)F D20953 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.40 N[C@H]1CCCCC1(F)F D20887 [0,2,0,0,0,0|2,0,0]=4 1007 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,1,1,0,0|1,0,0]=3 1008 B7R1.6 CCNC1COC1 E8452 [0,0,1,1,0,0|1,0,0]=3 1009 B7R1.6 CCOC1CNC1 E41322 [0,0,1,1,0,0|2,0,0]=4 1010 B7R1.6 COC[C@@H]1CCN1 M11645 [0,0,1,1,0,0|1,0,0]=3 1011 B7R1.6 COC[C@@H]1CCN1 M20218 [0,0,1,1,0,0|1,0,0]=3 1012 B7R1.6 COC[C@H]1CCN1 M11646 [0,0,1,1,0,0|1,0,0]=3 1013 B7R1.6 COC[C@H]1CCN1 M14791 [0,0,1,1,0,0|1,0,0]=3 1014 B7R1.6 NCCC1CCC1 C15341 [0,0,1,1,0,0|2,0,0]=4 1015 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,1,1,0,0|2,0,0]=4 1016 B7R1.10 CNC1CC(O)C1 M10596 [0,0,1,1,0,0|1,0,0]=3 1017 B7R1.10 CNC1CN(C)C1 D11649 [0,0,1,1,0,0|1,0,0]=3 1018 B7R1.10 CNC1CN(C)C1 D1346 [0,0,1,1,0,0|1,0,0]=3 1019 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,0,1,1,0,0|1,0,0]=3 1020 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,0,1,1,0,0|1,0,0]=3 1021 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,0,1,1,0,0|1,0,0]=3 1022 B7R1.10 COC1CC(N)C1 M0320 [0,0,1,1,0,0|2,0,0]=4 1023 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,0,1,1,0,0|2,0,0]=4 1024 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,0,1,1,0,0|2,0,0]=4 1025 B7R1.21 CC1(CCO)CC1 M22121 [0,0,1,1,0,0|2,0,0]=4 1026 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,1,1,0,0|2,0,0]=4 1027 B7R1.25 CC1(CN)CCC1 M1145 [0,0,1,1,0,0|2,0,0]=4 1028 B7R1.25 CC1(CN)CCC1 M14421 [0,0,1,1,0,0|2,0,0]=4 1029 B7R1.25 CNC1(C)COC1 D31259 [0,0,1,1,0,0|1,0,0]=3 1030 B7R1.25 CNC1(C)COC1 D8492 [0,0,1,1,0,0|1,0,0]=3 1031 B7R1.25 COC1(C)CNC1 M0268 [0,0,1,1,0,0|2,0,0]=4 1032 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,1,1,0,0|2,0,0]=4 1033 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,0,1,1,0,0|2,0,0]=4 1034 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,0,1,1,0,0|2,0,0]=4 1035 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,1,1,0,0|1,0,1]=4 1036 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,0,1,1,0,0|0,0,0]=2 1037 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,1,1,0,0|1,0,1]=4 1038 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,1,1,0,0|1,0,1]=4 1039 B7R1.24 C1=CCCNCC1 T67173 [0,0,1,1,0,0|0,0,2]=4 1040 B7R1.24 C1CCCNCC1 H64495 [0,0,1,1,0,0|0,0,0]=2 1041 B7R1.24 C1CNCCNC1 H67920 [0,0,1,1,0,0|1,0,0]=3 1042 B7R1.24 C1CNCCOC1 X1345 [0,0,1,1,0,0|1,0,0]=3 1043 B7R1.24 C1CNCCSC1 H6236 [0,0,1,1,0,0|1,0,0]=3 1044 B7R2.13 C1CC2CC2N1 A13958 [1,0,0,1,0,0|0,0,0]=2 1045 B7R2.13 C1CC2CC2N1 A25593 [1,0,0,1,0,0|0,0,0]=2 1046 B7R2.13 C1NCC2CC12 A13737 [1,0,0,1,0,0|0,0,0]=2 1047 B7R2.13 C1NCC2CC12 A1579 [1,0,0,1,0,0|0,0,0]=2 1048 B7R2.13 C1OCC2OC12 E12004 [1,0,0,1,0,0|2,0,0]=4 1049 B7R2.11 C1CN2CN1C2 D40240 [0,0,0,1,1,0|2,0,0]=4 1050 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,1,1,0|0,0,0]=2 1051 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,1,1,0|0,0,0]=2 1052 B9R2.6 CC12CCNCC1C2 M15531 [0,0,0,1,0,1|1,0,0]=3 1053 B9R2.6 CC12CCNCC1C2 M29994 [0,0,0,1,0,1|1,0,0]=3 1054 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,1,0,1|2,0,0]=4 1055 B9R2.7 CN1CC2CNCC21 M13131 [0,0,0,1,0,1|2,0,0]=4 1056 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 M13126 [0,0,0,1,0,1|2,0,0]=4 1057 B9R2.7 CN1C[C@H]2CNC[C@H]21 M13127 [0,0,0,1,0,1|2,0,0]=4 1058 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,1|1,0,1]=4 1059 B9R2.33 CN1CC2CNC2C1 M13128 [0,0,0,1,0,1|2,0,0]=4 1060 B9R2.33 CN1C[C@@H]2CN[C@@H]2C1 M13130 [0,0,0,1,0,1|2,0,0]=4 1061 B9R2.33 CN1C[C@H]2CN[C@H]2C1 M13129 [0,0,0,1,0,1|2,0,0]=4 1062 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,1,0,1|2,0,0]=4 1063 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,1,0,1|2,0,0]=4 1064 B9R2.68 C1CC2CNCC1N2 D43558 [0,0,0,1,0,1|1,0,0]=3 1065 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,1,0,1|1,0,0]=3 1066 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,1,0,1|1,0,0]=3 1067 B9R2.68 C1CC2COCC1N2 X11304 [0,0,0,1,0,1|2,0,0]=4 1068 B9R2.68 C1CC2COCC1N2 X14120 [0,0,0,1,0,1|2,0,0]=4 1069 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,1,0,1|0,0,0]=2 1070 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,1,0,1|0,0,0]=2 1071 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,1,0,1|0,0,0]=2 1072 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,1,0,1|2,0,0]=4 1073 B9R2.49 C1CC2CCC1CN2 A11448 [0,1,0,1,0,0|0,0,0]=2 1074 B9R2.49 C1CC2CCC1CN2 A8975 [0,1,0,1,0,0|0,0,0]=2 1075 B9R2.49 C1CC2CNC1CO2 X11762 [0,1,0,1,0,0|0,0,0]=2 1076 B9R2.49 C1CN2CCC1CC2 Q68615 [0,1,0,1,0,0|2,0,0]=4 1077 B9R2.50 C1CNC2CNC2C1 D14370 [0,1,0,1,0,0|0,0,0]=2 1078 B9R2.53 O=C1C2CNCC1C2 A20053 [0,1,0,1,0,0|2,0,0]=4 1079 B9R2.53 OC1C2CNCC1C2 A13735 [0,1,0,1,0,0|2,0,0]=4 1080 B9R2.53 OC1C2CNCC1C2 A7297 [0,1,0,1,0,0|2,0,0]=4 1081 B9R2.56 OCC12CNCC1C2 A11517 [0,1,0,1,0,0|2,0,0]=4 1082 B9R2.56 OCC12CNCC1C2 A14525 [0,1,0,1,0,0|2,0,0]=4 1083 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 X13543 [0,1,0,1,0,0|2,0,0]=4 1084 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [0,1,0,1,0,0|2,0,0]=4 1085 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [0,1,0,1,0,0|2,0,0]=4 1086 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [0,1,0,1,0,0|2,0,0]=4 1087 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [0,1,0,1,0,0|2,0,0]=4 1088 B9R2.70 N#CC1NCC2CC21 C7970 [0,1,0,1,0,0|0,0,1]=3 1089 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [0,1,0,1,0,0|0,0,0]=2 1090 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [0,1,0,1,0,0|0,0,0]=2 1091 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [0,1,0,1,0,0|0,0,0]=2 1092 B9R2.174 C1CC2(CCN1)CC2 A8606 [0,1,0,1,0,0|2,0,0]=4 1093 B9R2.174 C1CC2(CCO1)CO2 D22002 [0,1,0,1,0,0|2,0,0]=4 1094 B9R2.174 C1CNC2(CC2)CN1 D13994 [0,1,0,1,0,0|1,0,0]=3 1095 B9R2.174 C1CNC2(CC2)CN1 D19927 [0,1,0,1,0,0|1,0,0]=3 1096 B9R2.174 C1CNC2(CC2)CN1 D7230 [0,1,0,1,0,0|1,0,0]=3 1097 B9R2.174 C1COC2(CC2)CN1 X19638 [0,1,0,1,0,0|2,0,0]=4 1098 B9R2.174 C1COCC2(CC2)N1 X62464 [0,1,0,1,0,0|1,0,0]=3 1099 B9R2.19 O=C1NCC2CC1N2 X13999 [0,1,0,1,0,0|1,0,1]=4 1100 B9R2.54 CN1C[C@H]2[C@H](N)[C@H]2C1 M0505 [0,1,0,1,0,0|2,0,0]=4 1101 B9R2.8 CN1CC2CC(C1)N2 M60019 [0,1,0,1,0,0|1,0,0]=3 1102 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,1,0,1,0,0|1,0,1]=4 1103 B9R2.38 CN1CC2CC2(N)C1 M60086 [0,1,0,1,0,0|2,0,0]=4 1104 B9R2.39 CN1CC2CC1CN2 M43431 [0,1,0,1,0,0|1,0,0]=3 1105 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 M7868 [0,1,0,1,0,0|1,0,0]=3 1106 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 M18033 [0,1,0,1,0,0|1,0,0]=3 1107 B9R2.39 FC1CC2CC1CN2 F60141 [0,1,0,1,0,0|0,0,0]=2 1108 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,1,0,1,0,0|1,0,0]=3 1109 B9R2.39 O=C1NC2CCC1C2 A64651 [0,1,0,1,0,0|0,0,1]=3 1110 B9R2.39 O=C1OC2CCC1C2 X31814 [0,1,0,1,0,0|1,0,1]=4 1111 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,1,0,1,0,0|1,0,1]=4 1112 B9R2.39 OC1CC2C=CC1C2 B43711 [0,1,0,1,0,0|1,0,1]=4 1113 B9R2.39 OC1CC2CC1CN2 A13307 [0,1,0,1,0,0|0,0,0]=2 1114 B9R2.39 OC1CC2CC1CN2 A29726 [0,1,0,1,0,0|0,0,0]=2 1115 B9R2.39 OC1CC2CNC1C2 A31041 [0,1,0,1,0,0|0,0,0]=2 1116 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [0,1,0,1,0,0|2,0,0]=4 1117 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,1,0,1,0,0|1,0,0]=3 1118 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [0,1,0,1,0,0|2,0,0]=4 1119 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [0,1,0,1,0,0|2,0,0]=4 1120 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [0,1,0,1,0,0|2,0,0]=4 1121 B9R2.95 CC1(C)C2CNCC21 D11397 [0,1,0,1,0,0|2,0,0]=4 1122 B9R2.95 CC1(C)C2CNCC21 D7977 [0,1,0,1,0,0|2,0,0]=4 1123 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,1,0|0,0,2]=4 1124 B5R1.1 C1CNNC1 P39938 [1,0,0,0,1,0|1,0,0]=3 1125 B5R1.1 C1CSCN1 T38217 [1,0,0,0,1,0|1,0,0]=3 1126 B5R1.1 C1CSCN1 T60563 [1,0,0,0,1,0|1,0,0]=3 1127 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,2,0|1,0,0]=3 1128 B5R1.2 BrC1CNC1 B13326 [0,0,0,0,2,0|2,0,0]=4 1129 B5R1.2 BrC1COC1 B5688 [0,0,0,0,2,0|2,0,0]=4 1130 B5R1.2 CC1CNC1 M1321 [0,0,0,0,2,0|1,0,0]=3 1131 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,2,0|0,0,0]=2 1132 B5R1.2 ClC1CNC1 C1323 [0,0,0,0,2,0|2,0,0]=4 1133 B5R1.2 ClC1COC1 C8470 [0,0,0,0,2,0|2,0,0]=4 1134 B5R1.2 FC1CNC1 F5255 [0,0,0,0,2,0|2,0,0]=4 1135 B5R1.2 IC1CCC1 I23424 [0,0,0,0,2,0|1,0,0]=3 1136 B5R1.2 IC1CNC1 I13327 [0,0,0,0,2,0|2,0,0]=4 1137 B5R1.2 IC1COC1 I5689 [0,0,0,0,2,0|2,0,0]=4 1138 B5R1.2 NC1CCC1 C60561 [0,0,0,0,2,0|1,0,0]=3 1139 B5R1.2 NC1CNC1 A5482 [0,0,0,0,2,0|2,0,0]=4 1140 B5R1.2 NC1COC1 O5613 [0,0,0,0,2,0|2,0,0]=4 1141 B5R1.2 NC1CSC1 T6025 [0,0,0,0,2,0|2,0,0]=4 1142 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,2,0|1,0,1]=4 1143 B5R1.2 OC1CNC1 H2864 [0,0,0,0,2,0|2,0,0]=4 1144 B5R1.2 OC1COC1 O5686 [0,0,0,0,2,0|2,0,0]=4 1145 B5R1.2 SC1CNC1 A11453 [0,0,0,0,2,0|2,0,0]=4 1146 B5R1.2 SC1COC1 O8471 [0,0,0,0,2,0|2,0,0]=4 1147 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,2,0|1,0,0]=3 1148 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,0,0,0,0,2|2,0,0]=4 1149 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,0,0,2|1,0,1]=4 1150 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,0,0,0,0,2|2,0,0]=4