0 B6R0.1 C=CC(O)CCN A15818 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCCC(N)CO A18883 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 COCC(N)CO A15709 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 COCC(O)CN A13295 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 COC[C@H](O)CN A15357 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 N#CC[C@@H](O)CCl C4765 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 N#CC[C@H](O)CCl C4764 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 N\C(CCO)=N/O D13760 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 OCC[C@@H](O)CO B7203 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CCC[C@H](C)O P4807 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 COC[C@@H](C)O M5850 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 COC[C@H](C)O M5856 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 CNCCCN M14932 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.2 NCCCCO A18122 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.2 OCCCCBr B18469 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.3 C=C[C@H](N)CO A18275 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 CC(CN)CO A15437 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.3 ClCC(Br)CBr D10531 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.3 NC[C@@H](O)CO A4797 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 NC[C@H](O)CO P6783 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 NC[C@H](O)CO P6783 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 OC[C@@H](O)CCl C4763 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 OC[C@@H](O)CCl C4763 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 OC[C@H](O)CCl C4762 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 OC[C@H](O)CCl C4762 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.2 CC(C)C[C@H](N)CO L2031 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 CCC(N)CC(=O)O A14449 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.2 CCC(N)CC(=O)O A18198 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,1,0,0,0,0|0,0,1]=2 30 B7R0.2 NC[C@@H](O)CC(=O)O A2622 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 N[C@H](CO)CC(=O)O A12916 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.2 [NH3+][C@@H](CO)CC(=O)O H13159 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.3 C=CCCC(O)CN A13885 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 CCCCC(O)CN A13447 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.3 CCOCC(O)CN A15120 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.3 CSCC[C@@H](N)CO M6155 [0,1,0,0,0,0|2,1,0]=4 38 B7R0.3 CSCC[C@H](N)CO M6160 [0,1,0,0,0,0|2,1,0]=4 39 B7R0.5 N[C@@H](CCO)C(=O)O H5147 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.5 N[C@H](CCO)C(=O)O A6105 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.7 CN(CCCl)CCCl M19067 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.7 COCC(Cl)COC C16846 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.7 COCC(N)COC A13333 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.7 COCC(O)COC D12731 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.10 CC(CCl)\C(N)=N/O C13725 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 OCC(Br)C(Br)CO D1412 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.10 OC[C@H](O)[C@H](O)CO E19244 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 BrCC1CCCC1 B18461 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 CCC1CCCN1 E15991 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.1 NCC1CCNC1 P13897 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.1 NC[C@H]1CCCO1 T11002 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.1 OC[C@@H]1CCCN1 P2200 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 OC[C@H]1CCCN1 P6137 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.2 CN1CCC(O)C1 P6737 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 OC1CCC(O)C1 C18885 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.3 BrC1CCCCN1 B7610 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 BrC1CCCNC1 B7611 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.3 CC1CCCCN1 M6451 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.3 CC1CCCNC1 P3032 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.3 CC1CCNCC1 M11273 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.3 CN1CCCCC1 M3042 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 CN1CCNCC1 M12431 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 CN1CCOCC1 C2066 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.3 C[C@H]1CCCCN1 M3041 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 ClC1CCNCC1 C7399 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 FC1CCNCC1 F12346 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.3 NC1CCCNC1 A11018 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 NC1CCCNC1 P19410 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.3 NC1CCCNC1 P7273 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.3 NC1CCNCC1 A2317 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 NC1CCNCC1 A8187 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.3 NC1CCOCC1 A16695 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.3 NC1CCOCC1 T11516 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.3 NN1CCCCC1 A3686 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.3 N[C@H]1CCCNC1 A11799 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 O=C1CCNCC1 P3649 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.3 O=C1CCNCC1 P7276 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.3 O=C1CCOCC1 T11055 [0,0,0,1,0,0|1,0,1]=3 88 B7R1.3 OC1CCCNC1 H6045 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.3 OC1CCCNC1 P11038 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.3 OC1CCNCC1 H0402 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.3 OC1CCNCC1 H0402 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.3 OC1CCNCC1 H5175 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.3 O[C@H]1CCCNC1 P3031 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.4 CC1OCCC1=O M5424 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.4 CC1OCCC1S T12619 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 N[C@@H]1CCC[C@H]1O A4082 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 N[C@H]1CCC[C@@H]1O A13715 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.4 O=C1OCCC1Br B11067 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.25 NC1(CO)CCC1 A18988 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.25 NCC1(O)CCC1 A18983 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.25 NCC1(O)CCC1 A18983 [0,0,0,1,0,0|3,0,0]=4 105 B4R0.1 CC[C@@H](C)O B4806 [2,0,0,0,0,0|0,0,0]=2 106 B4R0.1 CC[C@H](C)O B4805 [2,0,0,0,0,0|0,0,0]=2 107 B4R0.1 C[C@@H](Cl)CO C4812 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 C[C@@H](N)CN D1041 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 C[C@@H](N)CN D7317 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 C[C@@H](N)CO A1425 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.1 C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,0,0]=3 112 B4R0.1 C[C@@H](O)CCl C4810 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 C[C@@H](O)CN A6198 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 C[C@@H](O)CO P2644 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 C[C@H](Cl)CO C4811 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 C[C@H](N)CO A5008 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,0,0]=3 121 B4R0.1 C[C@H](O)CCl C4809 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.1 C[C@H](O)CN A5854 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.1 C[C@H](O)CO P6701 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 BrCCCBr D18864 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 NCCCCl C18780 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 NCCCO A18882 [2,0,0,0,0,0|1,0,0]=3 127 B4R0.2 NNCCO H13045 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.2 C(C(=O)O)N(C)C D18801 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.2 CC(C)CC(=N)N M13844 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.3 CC(C)[C@@H](N)CO A5893 [1,1,0,0,0,0|0,0,0]=2 131 B6R0.3 CC(C)[C@H](N)CO V2118 [1,1,0,0,0,0|0,0,0]=2 132 B6R0.3 CC(C)[C@H](N)CO V2118 [1,1,0,0,0,0|0,0,0]=2 133 B6R0.3 CC(C)\C(N)=N\O H12994 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CN(C)CCCN D2364 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.6 CCCCCCBr S19038 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.6 ICCOCCI I12663 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.8 C#CC(C)(N)CC A18277 [1,1,0,0,0,0|0,0,2]=4 138 B6R0.8 C#CC(C)(N)CC A18277 [1,1,0,0,0,0|0,0,2]=4 139 B6R0.8 CCC(C)(O)CN A14285 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.2 CCC(C)C(=O)C(=O)O M13252 [0,2,0,0,0,0|0,0,2]=4 141 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O A6306 [0,2,0,0,0,0|0,0,1]=3 142 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O H12777 [0,2,0,0,0,0|0,0,1]=3 143 B8R0.5 CCCC(N)CC(=O)O A14453 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.3 O=CC[C@H](O)[C@H](O)CO D2625 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.22 CCOC(CBr)OCC B3470 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.22 O=NN(CCO)CCO N14437 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.31 COP(=O)(CCO)OC D11669 [0,2,0,0,0,0|2,0,0]=4 148 B6R1.2 CC1CCNC1 M17094 [1,0,0,1,0,0|1,0,0]=3 149 B6R1.2 C[C@@H]1CCCN1 M7218 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.2 C[C@H]1CCCN1 M3036 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.2 F[C@H]1CCNC1 F12344 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.2 N[C@@H]1CCNC1 A13883 [1,0,0,1,0,0|2,0,0]=4 153 B6R1.2 N[C@@H]1CCNC1 P6035 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.2 N[C@H]1CCNC1 A6036 [1,0,0,1,0,0|2,0,0]=4 155 B6R1.2 N[C@H]1CCOC1 A19174 [1,0,0,1,0,0|1,0,0]=3 156 B6R1.2 O[C@@H]1CCNC1 P4795 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.2 O[C@@H]1CCNC1 P4796 [1,0,0,1,0,0|2,0,0]=4 158 B6R1.2 O[C@@H]1CCOC1 H7200 [1,0,0,1,0,0|1,0,0]=3 159 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|2,0,0]=4 160 B6R1.2 O[C@H]1CCNC1 H6043 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.2 O[C@H]1CCNC1 P6678 [1,0,0,1,0,0|2,0,0]=4 162 B6R1.2 O[C@H]1CCOC1 H2612 [1,0,0,1,0,0|1,0,0]=3 163 B6R1.3 NCCC1CC1 C14004 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.3 NOCC1CC1 C2245 [1,0,0,1,0,0|2,0,0]=4 165 B6R1.10 CC1(C)COC1 D12729 [1,0,0,1,0,0|2,0,0]=4 166 B6R1.1 C1COCCN1 M12430 [1,0,0,1,0,0|1,0,0]=3 167 B6R1.1 C1CSCCN1 T4979 [1,0,0,1,0,0|1,1,0]=4 168 B6R1.4 CN1CCC1N A18235 [1,0,0,1,0,0|2,0,0]=4 169 B6R1.6 OCC1CNC1 A19210 [1,0,0,1,0,0|1,0,0]=3 170 B6R1.6 OC[C@@H]1CCN1 A19140 [1,0,0,1,0,0|1,0,0]=3 171 B6R1.7 NC1(CO)CC1 A7278 [1,0,0,1,0,0|1,0,0]=3 172 B6R1.7 NC1(CO)CC1 F06470 [1,0,0,1,0,0|1,0,0]=3 173 B6R1.7 NC1(CO)CC1 F06470 [1,0,0,1,0,0|1,0,0]=3 174 B6R1.7 NCC1(O)CC1 A07277 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.7 NCC1(O)CC1 A07277 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.4 BrC1CNCC(Br)C1 B10768 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.4 CC1CNCC(C)C1 L11275 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.4 CC1CNCC(C)N1 D0949 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D11681 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.43 NCC1CC1C(=O)O A12911 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.2 BrCC1CCCCC1 B12603 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.2 BrCC1CCNCC1 B18444 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.2 BrCC1CCOCC1 B8153 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.2 CCC1CCCCN1 E3360 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.2 CCC1CNCCN1 E5557 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.2 CCC1CNCCO1 E17046 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.2 CNC1CCCCC1 M18798 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.2 CNC1CCCNC1 M8469 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.2 COC1CCCNC1 M14733 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.2 ClCN1CCCCC1 C5727 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.2 N#CC1CCNCC1 C3193 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.2 NCC1CCCCN1 A4969 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.2 NCC1CCCNC1 A18064 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.2 NCC1CCCNC1 A1819 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.2 NCC1CCNCC1 A10917 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.2 NCC1CCOCC1 A18185 [0,1,0,1,0,0|0,0,0]=2 200 B8R1.2 NCC1CNCCO1 M17098 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.2 O=NN1CCOCC1 N17202 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.2 OCC1CCCCN1 P11278 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.2 OCC1CCCNC1 P11620 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.2 OCC1CCNCC1 P11277 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.2 OCC1CNCCN1 H17068 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.2 OCC1CNCCO1 H13089 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.2 OC[C@H]1CNCCO1 H16873 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.3 BrC1CCC(Br)NC1 B10767 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.3 CN1CCC(=O)CC1 M3185 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.3 CN1CCC(N)CC1 A7280 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.3 CN1CCC(O)CC1 M3416 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.3 CN1CCN(N)CC1 A0739 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.3 C[C@H]1CN[C@H](C)CN1 D3385 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.3 NC1CCC(O)CC1 A0964 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.3 O=C1CCC(O)CC1 H15821 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.3 OC1CSC(O)CS1 D5391 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.5 CC1CCCCC1N M11246 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.5 CC1NCCNC1C D17036 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.22 CC1CCNCCN1 M15502 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.22 CN1CCCNCC1 M3447 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.22 NC1CCCCNC1 A18228 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.38 N\C(=N/O)C1CCC1 H13014 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.52 CCC1(O)CCCC1 E11709 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.52 NC1(CO)CCCC1 A13348 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.52 NCC1(O)CCCC1 A18984 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.7 O=C(O)C1CCOC1 T15197 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.8 BrCCC1OCCO1 B8236 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.8 CCCC1CCCN1 P17208 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.8 CNCC1CCNC1 M17103 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.8 ClCCN1CCCC1 C7818 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.8 OCC[C@@H]1CCCN1 P17212 [0,1,0,1,0,0|0,0,0]=2 242 B8R1.11 CC1CNCC1CN M13842 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.11 CN1CCC[C@H]1CO M11607 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.72 FC1(F)CCNCC1 D14167 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.72 FC1(F)CCNCC1 D7455 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.82 N#CCC1(CO)CC1 H11355 [0,1,0,1,0,0|1,0,1]=4