0 B5R0.1 C=C(C)OCC E5573 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=CC[C@H](C)O P62507 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC#C[C@H](C)O B1790 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(C)CNN B40316 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(C)\C=N\O I2624 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CCC[C@@H](C)N P16023 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CCC[C@H](C)N P22363 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCOC(C)=N E68065 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CN(C)CC=O D39943 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CN(C)CCBr B39953 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CN(C)NC=O D66358 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 COC[C@@H](C)N M40311 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 COC[C@@H](C)O M39959 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 COC[C@H](C)O M61064 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 C[C@@H](N)CCO A10772 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 C[C@H](N)CCO A10771 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C[C@H](N)CCO A39964 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 C[C@H](O)CCO B68917 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 C\C(N)=C\C#N A60547 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 O=C(O)\C=C\Br B9431 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C#C[C@@H](C)O B62970 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 C#C[C@H](C)N B32316 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C#C[C@H](C)O B40212 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C[C@@H](N)CN D39937 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C[C@@H](N)CO A13415 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C[C@@H](O)CCl C67728 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C[C@@H](O)CN A67482 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C[C@H](Br)CN B39885 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C[C@H](Cl)CO C39880 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C[C@H](N)CF F62811 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C[C@H](N)CN P39936 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C[C@H](N)CO A13416 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 C[C@H](N)CO A69136 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C[C@H](O)CN A69178 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C[C@H](O)CO P60705 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 COCCI K39881 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 COC(=O)\C=C/Br B3417 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 COC(=O)\C=C/I I2748 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 COC(=O)\C=C\I M40173 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.2 CC(=O)NC(C)C P40402 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.2 CC(C)=CB(O)O D3007 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(C)CB(O)O M4460 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.2 CC(C)C[C@H](C)N M43511 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.2 CC(C)NC(C)C D64760 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.2 CN(C)CC(=O)Cl D40251 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.2 CN(C)CC(N)=S D69472 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 CC(C)C(=O)NN I0020 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.3 CC(C)[C@H](N)CO V40442 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.3 CC(C)\C(N)=N\O H39948 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 CCC(=O)N(C)C D67412 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 CN(C)C(=O)CBr B40249 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CN(C)C(=O)CN A39947 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CN(C)C(=O)CN A40307 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CN(C)C(=O)CN A61441 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CN(C)C(=O)CO H40267 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 COC(=O)[C@H](C)N A68085 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 COC(=O)[C@H](C)N M68343 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 COC(=O)[C@H](C)O M69777 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.4 CC(C)=CCCBr B0351 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.4 CC(C)CCCO M67872 [0,1,0,0,0,0|0,0,2]=3 98 B6R0.4 CC(C)NCCCl C40431 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.4 CC(C)OCCBr B69154 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.4 CN(C)CCCBr B40430 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 CN(C)CCCCl C69241 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CN(C)\C=C\C=O D36904 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.4 CNCCN(C)C T41392 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.4 COC=CC(C)=O M41222 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.4 O=C(O)\C=C\CBr B37272 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.5 C=CCC(C)(C)O M8263 [0,1,0,0,0,0|0,0,2]=3 107 B6R0.5 C=CO[Si](C)(C)C V40439 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.5 CC#C[Si](C)(C)C T60601 [0,1,0,0,0,0|0,1,2]=4 109 B6R0.5 CC(C)(C)C#CI I1890 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.5 CC(C)(C)CCBr B41571 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.5 CC(C)(F)CCN F62077 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.5 CC(C)(N)CCN M37075 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.5 CC(C)(N)CCO A40444 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.5 CC(C)(O)CCN A61563 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.5 CCC[N+](C)(C)C T43586 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.5 CNCC(C)(C)O M40445 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.5 COCC(C)(C)O M40434 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.5 C[Si](C)(C)\C=C\I K60897 [0,1,0,0,0,0|1,1,0]=3 119 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|2,0,1]=4 121 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,1,0,0|1,0,2]=4 125 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 CN1C=CN=N1 M38094 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|1,0,1]=3 132 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|1,0,1]=3 133 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|1,0,1]=3 134 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|1,0,1]=3 135 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|1,0,1]=3 136 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|1,0,1]=3 137 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|1,0,1]=3 138 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|1,0,2]=4 142 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 NC1CC=CC1 A13279 [0,0,0,1,0,0|1,0,2]=4 146 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|1,0,1]=3 157 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 OC1CC=CC1 C67522 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.3 CNCC1CC1 C25333 [0,0,0,1,0,0|1,0,1]=3 169 B6R1.3 ICCC1CC1 I23113 [0,0,0,1,0,0|1,0,2]=4 170 B6R1.3 NCCC1CC1 C7864 [0,0,0,1,0,0|1,0,2]=4 171 B6R1.3 NNCC1CC1 C25488 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.3 NOCC1CC1 C36851 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.3 O=CNC1CC1 C65862 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.3 OCCC1CC1 C7861 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,1,0,0|1,0,1]=3 176 B6R1.5 CC1CC(N)C1 M41317 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.5 CN1CC(N)C1 M0108 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.5 CN1CC(O)C1 H0109 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,0,0,1,0,0|1,0,2]=4 184 B6R1.10 CC1(C)CNC1 D11454 [0,0,0,1,0,0|1,0,1]=3 185 B6R1.10 CC1(F)CNC1 F11719 [0,0,0,1,0,0|2,0,1]=4 186 B6R1.10 CC1(N)CCC1 M15665 [0,0,0,1,0,0|1,0,2]=4 187 B6R1.10 CC1(N)CCC1 M15666 [0,0,0,1,0,0|1,0,2]=4 188 B6R1.10 CC1(N)CCC1 M6467 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.10 CC1(N)CNC1 A10361 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.10 CC1(N)COC1 M5614 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.10 CC1(N)COC1 M7167 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.10 CC1(N)CSC1 M30085 [0,0,0,1,0,0|2,0,1]=4 193 B6R1.10 CC1(O)CNC1 H0307 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.10 CC1(O)COC1 M6651 [0,0,0,1,0,0|2,0,1]=4 195 B6R1.10 CC1(O)CSC1 M29793 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.10 O=S1(=O)C=CC1 T5975 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,0,0,1,0,0|1,0,2]=4 198 B6R1.11 C[C@H](N)C1CC1 C41318 [0,0,0,1,0,0|1,0,2]=4 199 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 201 B3R0.1 CCON E60797 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,1]=4 203 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.3 C=CC(=O)NC M37664 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.3 C=C[C@H](C)ON B40346 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.3 C=C[C@H](N)CO A40343 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.3 CC(CBr)CBr D40238 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.3 CC(CO)CO M60880 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.3 CCC(N)CC P40440 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.3 CC[C@@H](N)CO A39144 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.3 CC[C@@H](O)CO B39955 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.3 CC[C@H](N)CO A39145 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.3 CC[C@H](O)CO B39956 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.3 CO[C@@H](C)CN M40313 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.3 CO[C@@H](C)CO M68380 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.3 CO[C@H](C)CN M40312 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.3 CO[C@H](C)CO M68381 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.3 O=C[C@H](O)CO D39873 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.4 C#CC(C)(C)C D2889 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|0,1,0]=3 222 B5R0.4 CC(C)(C)CN D41344 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.4 CC(C)(C)C[Mg+] D31702 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.4 CC(C)(C)NO B41419 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.4 CC(C)(C)ON B40314 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.4 CC(C)(F)CO F64897 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.4 CC(C)(N)C#N A39161 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.4 CC(C)(N)CN M25502 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.4 CC(C)(N)CO A68632 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.4 CC(C)(O)CCl C40272 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.4 CC(C)(O)CN A10987 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.4 CC(C)(O)CO M37968 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.4 CC(C)(S)CN A40315 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.5 CC(C)B(O)O P39893 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.5 CC(C)C(=N)N B40303 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.5 CC(C)C(N)=S M3101 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.5 CN(C)C(=S)Cl D8332 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.2 BrC\C=C\CBr D60806 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|0,0,2]=4 252 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|0,0,2]=4 253 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.2 CNCCCCl C39954 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.2 CNCCCO M36844 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.2 CNCCOC M23409 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.2 COCCCBr B68335 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.2 COCCCO M69411 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.2 NC\C=C/CCl C65470 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.2 NC\C=C/CN B69714 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.2 NOCC=CCl C39871 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.2 OC\C=C\CO B64254 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,2,0,0,0,0|0,0,2]=4 265 B7R0.2 CC(C)NC(=O)CCl P40378 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.2 CC(C)OC(=O)CO I38145 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.2 CC(C=O)=CN(C)C D41498 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.2 COC(=O)C=C(C)C M41461 [0,2,0,0,0,0|0,0,1]=3 270 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.3 COC(=O)C=CCBr M37461 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.3 COC(=O)\C=C\CBr M41176 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.3 COC=CC(=O)OC M39186 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.3 CO\C=C\C(=O)OC M41228 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.5 CC(C)C(=O)CC#N M43378 [0,2,0,0,0,0|0,0,2]=4 280 B7R0.5 CC(C)C(=O)OCCl C24559 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.10 CCC(=O)N(C)OC M40411 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.12 COCC(OC)OC T40436 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,2,0,0,0,0|1,1,0]=4 307 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.16 CC(C)C(N)C(C)C D46525 [0,2,0,0,0,0|0,0,2]=4 313 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.16 CN(C)C(=N)N(C)C T60760 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.14 CC(C)(C)C(=O)NN D40427 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.14 CC(C)(O)C(=O)NN H39949 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.14 COC(=O)C(C)(C)F M41271 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.14 COC(=O)C(C)(C)N M67502 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,2,0,0,0,0|0,0,2]=4 324 B7R0.4 CC(C)CCCCBr B43898 [0,2,0,0,0,0|0,0,2]=4 325 B7R0.6 CC(=O)NN=C(C)C A66607 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.6 CC(=O)NNC(C)C P40426 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.6 CN(C)\C=C\[N+](=O)[O-] D5271 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.8 C[Si](C)(C)\C=C\CO T41617 [0,2,0,0,0,0|0,1,0]=3 330 B7R0.8 OC\C=C\C(F)(F)F T61804 [0,2,0,0,0,0|2,0,0]=4 331 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|1,0,1]=4 332 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|1,0,1]=4 333 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,0]=3 334 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|1,0,1]=4 335 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|1,0,1]=4 336 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|1,0,1]=4 337 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|1,0,1]=4 338 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|1,0,0]=3 339 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|1,0,0]=3 340 B5R1.3 NNC1CC1 C19179 [1,0,0,1,0,0|2,0,0]=4 341 B5R1.3 NNC1CC1 C32080 [1,0,0,1,0,0|2,0,0]=4 342 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|1,0,0]=3 343 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|1,0,1]=4 344 B5R1.5 CC1(Br)CC1 B29865 [1,0,0,1,0,0|1,0,1]=4 345 B5R1.5 CC1(N)CC1 M13330 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.5 CC1(O)CC1 M22890 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|1,0,0]=3 348 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,1,0,0|0,0,2]=4 350 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,1,0,0|0,0,2]=4 351 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.1 NCC1CCCC1 C5395 [0,1,0,1,0,0|0,0,2]=4 366 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,1,0,0|0,0,2]=4 376 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|1,0,1]=4 392 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|0,0,1]=3 395 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.2 CC1=CN(C)N=C1 D69464 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.2 CC1=CN(C)N=N1 D40221 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|0,0,2]=4 415 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|0,0,2]=4 416 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,1,0,0|0,0,2]=4 418 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,1,0,0|0,0,2]=4 424 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.3 O=C1C=CCOC1 P26982 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.4 CN1CCCC1=S M6872 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.4 CN1CCN=C1N M40301 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.4 CN1CCNC1=O M40241 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|0,0,1]=3 442 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.6 C=CCC1CNC1 P20750 [0,1,0,1,0,0|0,0,2]=4 457 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.6 CCOC1CNC1 E41322 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.6 CNCC1COC1 M8438 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.6 COC=C1COC1 M6231 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.6 COCC1CNC1 A0186 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.6 COCC1CNC1 M1326 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.10 CN1CC(CN)C1 M7239 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.10 CNC1CN(C)C1 D11649 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.10 CNC1CN(C)C1 D1346 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.22 CCC(=O)C1CC1 C24823 [0,1,0,1,0,0|0,0,1]=3 474 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,1,0,1,0,0|0,0,2]=4 475 B7R1.22 N=C(NO)C1CC1 H38637 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.22 NNC(=O)C1CC1 C7568 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.25 CC1(CBr)COC1 B0548 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.25 CC1(CCl)COC1 C8473 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.25 CC1(CI)COC1 I1186 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.25 CC1(CN)CCC1 M1145 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.25 CC1(CN)CCC1 M14421 [0,1,0,1,0,0|0,0,2]=4 482 B7R1.25 CC1(CN)CNC1 M7823 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.25 CC1(CN)COC1 A5692 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.25 CC1(CS)COC1 M8472 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.25 CNC1(C)COC1 D31259 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.25 CNC1(C)COC1 D8492 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.25 COC1(C)CNC1 M0268 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.27 CC[C@]1(C)ON1C E65451 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.16 CC1(C)CC(N)C1 D18434 [0,1,0,1,0,0|0,0,2]=4 497 B7R1.16 CC1(C)CC(O)C1 D24163 [0,1,0,1,0,0|0,0,2]=4 498 B7R1.20 O=C(O)CC1CC1 C11216 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|0,0,1]=3 500 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,1,0,0|0,0,2]=4 501 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.7 BrCC#CC1CC1 B42961 [0,1,0,1,0,0|0,0,2]=4 503 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,1,0,0|0,0,2]=4 504 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,1,0,0|0,0,2]=4 505 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|0,0,2]=4 506 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.14 O=S1(=O)C=CCC1 D1486 [0,1,0,1,0,0|2,0,0]=4 514 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,2,0,0|1,0,1]=4 515 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,2,0,0|1,0,1]=4 516 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,2,0,0|1,0,1]=4 517 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,2,0,0|1,0,1]=4 518 B7R2.13 C1NCC2CC12 A13737 [0,0,0,2,0,0|1,0,1]=4 519 B7R2.13 C1NCC2CC12 A1579 [0,0,0,2,0,0|1,0,1]=4 520 B7R2.16 C1CC12CNC2 A21417 [0,0,0,2,0,0|1,0,1]=4