0 B4R1.2 BrC1CC1 B23669 [0,0,0,0,0,0|2,0,0]=2 1 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,0,0,0|1,0,0]=1 2 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,0,0,0|1,0,0]=1 3 B4R1.2 OC1CC1 C21681 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.3 BrCC1CC1 C2498 [0,1,0,0,0,0|1,0,0]=2 5 B5R1.3 CNC1CC1 M1319 [0,1,0,0,0,0|1,0,0]=2 6 B5R1.3 CNC1CC1 M14718 [0,1,0,0,0,0|1,0,0]=2 7 B5R1.3 ClC[C@@H]1CO1 E10841 [0,1,0,0,0,0|0,0,0]=1 8 B5R1.3 ClC[C@H]1CO1 E10840 [0,1,0,0,0,0|0,0,0]=1 9 B5R1.3 NNC1CC1 C19179 [0,1,0,0,0,0|2,0,0]=3 10 B5R1.3 NNC1CC1 C32080 [0,1,0,0,0,0|2,0,0]=3 11 B5R1.3 O=CC1CC1 C20058 [0,1,0,0,0,0|1,0,1]=3 12 B5R1.3 OC[C@@H]1CO1 X39872 [0,1,0,0,0,0|0,0,0]=1 13 B5R1.3 OC[C@H]1CO1 X60516 [0,1,0,0,0,0|0,0,0]=1 14 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,1,0,0,0,0|1,0,0]=2 15 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,1,0,0,0,0|2,0,0]=3 16 B5R1.5 CC1(Br)CC1 B29865 [0,1,0,0,0,0|1,0,0]=2 17 B5R1.5 CC1(N)CC1 M13330 [0,1,0,0,0,0|1,0,0]=2 18 B5R1.5 CC1(O)CC1 M22890 [0,1,0,0,0,0|1,0,0]=2 19 B3R0.1 C#CCN P39910 [0,0,1,0,0,0|1,0,2]=4 20 B3R0.1 CCCN P62456 [0,0,1,0,0,0|1,0,0]=2 21 B3R0.1 CCNC M39932 [0,0,1,0,0,0|1,0,0]=2 22 B3R0.1 CCON E60797 [0,0,1,0,0,0|1,0,0]=2 23 B3R0.1 FCCI F39767 [0,0,1,0,0,0|2,0,0]=3 24 B3R0.1 N#CCI K39764 [0,0,1,0,0,0|2,0,1]=4 25 B3R0.1 N#CCN A68631 [0,0,1,0,0,0|2,0,1]=4 26 B3R0.1 NCCBr B68074 [0,0,1,0,0,0|2,0,0]=3 27 B3R0.1 NCCCl C68611 [0,0,1,0,0,0|2,0,0]=3 28 B3R0.1 NCCF F39796 [0,0,1,0,0,0|2,0,0]=3 29 B3R0.2 C=C(C)[Mg+] K5651 [0,0,1,0,0,0|1,0,2]=4 30 B3R0.2 CC(=O)O F69263 [0,0,1,0,0,0|1,0,1]=3 31 B3R0.2 CC(=O)[O-] C69398 [0,0,1,0,0,0|1,0,2]=4 32 B3R0.2 CC(=O)[O-] M67642 [0,0,1,0,0,0|1,0,2]=4 33 B3R0.2 CC(=O)[O-] N62590 [0,0,1,0,0,0|1,0,2]=4 34 B3R0.2 CC(=O)[O-] P67455 [0,0,1,0,0,0|1,0,2]=4 35 B3R0.2 CC(=O)[O-] R62611 [0,0,1,0,0,0|1,0,2]=4 36 B3R0.2 CC(=O)[O-] S62515 [0,0,1,0,0,0|1,0,2]=4 37 B3R0.2 CC(C)N P39142 [0,0,1,0,0,0|1,0,0]=2 38 B3R0.2 C[S+](C)C T68118 [0,0,1,0,0,0|2,0,0]=3 39 B3R0.2 C[S@](=O)[O-] S60840 [0,0,1,0,0,0|2,0,1]=4 40 B3R0.2 O[11B](O)O B5112 [0,0,1,0,0,0|3,0,0]=4 41 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,0,1|2,0,0]=3 42 B5R1.2 BrC1CNC1 B13326 [0,0,0,0,0,1|2,0,0]=3 43 B5R1.2 BrC1COC1 B5688 [0,0,0,0,0,1|1,0,0]=2 44 B5R1.2 CC1CNC1 M1321 [0,0,0,0,0,1|1,0,0]=2 45 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,0,1|1,0,0]=2 46 B5R1.2 ClC1CNC1 C1323 [0,0,0,0,0,1|2,0,0]=3 47 B5R1.2 ClC1COC1 C8470 [0,0,0,0,0,1|1,0,0]=2 48 B5R1.2 FC1CNC1 F5255 [0,0,0,0,0,1|2,0,0]=3 49 B5R1.2 IC1CCC1 I23424 [0,0,0,0,0,1|2,0,0]=3 50 B5R1.2 IC1CNC1 I13327 [0,0,0,0,0,1|2,0,0]=3 51 B5R1.2 IC1COC1 I5689 [0,0,0,0,0,1|1,0,0]=2 52 B5R1.2 NC1CCC1 C60561 [0,0,0,0,0,1|2,0,0]=3 53 B5R1.2 NC1CNC1 A5482 [0,0,0,0,0,1|2,0,0]=3 54 B5R1.2 NC1COC1 O5613 [0,0,0,0,0,1|1,0,0]=2 55 B5R1.2 NC1CSC1 T6025 [0,0,0,0,0,1|1,1,0]=3 56 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,0,1|2,0,1]=4 57 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,0,1|2,0,1]=4 58 B5R1.2 O=C1COC1 O4015 [0,0,0,0,0,1|1,0,1]=3 59 B5R1.2 O=C1CSC1 T6026 [0,0,0,0,0,1|1,1,1]=4 60 B5R1.2 OC1CNC1 H2864 [0,0,0,0,0,1|2,0,0]=3 61 B5R1.2 OC1COC1 O5686 [0,0,0,0,0,1|1,0,0]=2 62 B5R1.2 SC1CNC1 A11453 [0,0,0,0,0,1|2,0,0]=3 63 B5R1.2 SC1COC1 O8471 [0,0,0,0,0,1|1,0,0]=2 64 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,0,1|2,0,0]=3 65 B2R0.1 CNN M39755 [1,0,1,0,0,0|2,0,0]=4 66 B2R0.1 CNO M67840 [1,0,1,0,0,0|1,0,0]=3 67 B2R0.1 CON H69345 [1,0,1,0,0,0|1,0,0]=3 68 B2R0.1 CSC C60754 [1,0,1,0,0,0|0,1,0]=3 69 B4R0.1 C#C[C@@H](C)O B62970 [0,1,1,0,0,0|0,0,2]=4 70 B4R0.1 C#C[C@H](C)N B32316 [0,1,1,0,0,0|1,0,1]=4 71 B4R0.1 C#C[C@H](C)O B40212 [0,1,1,0,0,0|0,0,2]=4 72 B4R0.1 C=C(Br)CO B39863 [0,1,1,0,0,0|0,0,2]=4 73 B4R0.1 C=C(I)CO I9998 [0,1,1,0,0,0|0,0,2]=4 74 B4R0.1 CC(=O)CN A38843 [0,1,1,0,0,0|1,0,1]=4 75 B4R0.1 CC(=O)CO H60801 [0,1,1,0,0,0|0,0,1]=3 76 B4R0.1 CC(C)NN P67395 [0,1,1,0,0,0|2,0,0]=4 77 B4R0.1 CC(C)NO P39934 [0,1,1,0,0,0|1,0,0]=3 78 B4R0.1 CC(C)ON P39935 [0,1,1,0,0,0|1,0,0]=3 79 B4R0.1 CC(N)=NO H37897 [0,1,1,0,0,0|1,0,1]=4 80 B4R0.1 CCB(O)O E3108 [0,1,1,0,0,0|1,0,0]=3 81 B4R0.1 CCC(=N)N P39882 [0,1,1,0,0,0|1,0,1]=4 82 B4R0.1 CCC(=N)N P39927 [0,1,1,0,0,0|1,0,1]=4 83 B4R0.1 CCC(N)=O P68920 [0,1,1,0,0,0|0,0,2]=4 84 B4R0.1 CC[C@H](C)N B62608 [0,1,1,0,0,0|1,0,0]=3 85 B4R0.1 CC[S@](=O)[O-] S39781 [0,1,1,0,0,0|1,0,1]=4 86 B4R0.1 CNN(C)C T66359 [0,1,1,0,0,0|2,0,0]=4 87 B4R0.1 COC(=N)N M69240 [0,1,1,0,0,0|1,0,1]=4 88 B4R0.1 C[C@@H](Cl)CO C39879 [0,1,1,0,0,0|0,0,0]=2 89 B4R0.1 C[C@@H](N)CN D39937 [0,1,1,0,0,0|1,0,0]=3 90 B4R0.1 C[C@@H](N)CO A13415 [0,1,1,0,0,0|0,0,0]=2 91 B4R0.1 C[C@@H](O)CCl C67728 [0,1,1,0,0,0|1,0,0]=3 92 B4R0.1 C[C@@H](O)CN A67482 [0,1,1,0,0,0|1,0,0]=3 93 B4R0.1 C[C@H](Br)CN B39885 [0,1,1,0,0,0|1,0,0]=3 94 B4R0.1 C[C@H](Cl)CO C39880 [0,1,1,0,0,0|0,0,0]=2 95 B4R0.1 C[C@H](N)CF F62811 [0,1,1,0,0,0|1,0,0]=3 96 B4R0.1 C[C@H](N)CN P39936 [0,1,1,0,0,0|1,0,0]=3 97 B4R0.1 C[C@H](N)CO A13416 [0,1,1,0,0,0|0,0,0]=2 98 B4R0.1 C[C@H](N)CO A69136 [0,1,1,0,0,0|0,0,0]=2 99 B4R0.1 C[C@H](O)CN A69178 [0,1,1,0,0,0|1,0,0]=3 100 B4R0.1 C[C@H](O)CO P60705 [0,1,1,0,0,0|0,0,0]=2 101 B4R0.1 N=C(N)CO H39795 [0,1,1,0,0,0|1,0,1]=4 102 B4R0.1 NC(=O)CO H68919 [0,1,1,0,0,0|1,0,1]=4 103 B4R0.2 BrCCCBr D69412 [0,1,1,0,0,0|1,0,0]=3 104 B4R0.2 C#CCCN B40327 [0,1,1,0,0,0|1,0,1]=4 105 B4R0.2 C#CCCO B26554 [0,1,1,0,0,0|0,0,1]=3 106 B4R0.2 C#CCNC M60803 [0,1,1,0,0,0|1,0,1]=4 107 B4R0.2 C#CCON P6115 [0,1,1,0,0,0|0,0,2]=4 108 B4R0.2 C=CCCN B21913 [0,1,1,0,0,0|1,0,1]=4 109 B4R0.2 C=CCCO B40252 [0,1,1,0,0,0|0,0,1]=3 110 B4R0.2 C=CCON A39923 [0,1,1,0,0,0|0,0,2]=4 111 B4R0.2 CC#CCO H64582 [0,1,1,0,0,0|0,0,1]=3 112 B4R0.2 CCCNN P39906 [0,1,1,0,0,0|1,0,0]=3 113 B4R0.2 CNCC#N M39141 [0,1,1,0,0,0|1,0,1]=4 114 B4R0.2 CNCCBr B38473 [0,1,1,0,0,0|1,0,0]=3 115 B4R0.2 CNCCCl C39886 [0,1,1,0,0,0|1,0,0]=3 116 B4R0.2 COCCBr B39138 [0,1,1,0,0,0|0,0,0]=2 117 B4R0.2 COCCI K39881 [0,1,1,0,0,0|0,0,0]=2 118 B4R0.2 CSCCN M62136 [0,1,1,0,0,0|0,1,0]=3 119 B4R0.2 ClCCCI C1367 [0,1,1,0,0,0|1,0,0]=3 120 B4R0.2 ICCCI D39865 [0,1,1,0,0,0|1,0,0]=3 121 B4R0.2 N#CCCN C64951 [0,1,1,0,0,0|1,0,1]=4 122 B4R0.2 N#CCCO H67414 [0,1,1,0,0,0|0,0,1]=3 123 B4R0.2 N#CCCS M39860 [0,1,1,0,0,0|0,1,1]=4 124 B4R0.2 NCCCCl C37835 [0,1,1,0,0,0|1,0,0]=3 125 B4R0.2 NCCCO A69322 [0,1,1,0,0,0|0,0,0]=2 126 B4R0.2 NOCCO A39786 [0,1,1,0,0,0|1,0,0]=3 127 B4R0.2 OCC#CI I9917 [0,1,1,0,0,0|0,0,2]=4 128 B4R0.2 OCCCBr B39137 [0,1,1,0,0,0|0,0,0]=2 129 B4R0.2 OCCCO P69117 [0,1,1,0,0,0|0,0,0]=2 130 B4R0.3 CS(C)(=O)=O M60798 [0,1,1,0,0,0|1,0,1]=4 131 B4R0.3 C[N+](C)(C)C T68346 [0,1,1,0,0,0|2,0,0]=4 132 B4R0.3 C[N+](C)(C)C T68617 [0,1,1,0,0,0|2,0,0]=4 133 B4R0.3 C[N+](C)(C)C T69133 [0,1,1,0,0,0|2,0,0]=4 134 B4R0.3 C[S+](C)(C)=O T39939 [0,1,1,0,0,0|1,0,1]=4 135 B4R0.3 C[S+](C)(C)=O T69142 [0,1,1,0,0,0|1,0,1]=4 136 B6R1.4 CC1NCC1F F21597 [0,1,0,0,0,1|1,0,0]=3 137 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,0,0,1|1,0,0]=3 138 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,0,0,1|0,0,0]=2 139 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,0,0,1|0,0,0]=2 140 B6R1.4 N[C@@H]1CNC1=O A60450 [0,1,0,0,0,1|2,0,0]=4 141 B6R1.4 N[C@H]1CNC1=O A39918 [0,1,0,0,0,1|2,0,0]=4 142 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,0,0,1|1,0,0]=3 143 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,0,0,1|1,0,0]=3 144 B6R1.5 CN1CC(N)C1 M0108 [0,1,0,0,0,1|2,0,0]=4 145 B6R1.5 CN1CC(O)C1 H0109 [0,1,0,0,0,1|2,0,0]=4 146 B6R1.5 NC1CC(=O)C1 A0660 [0,1,0,0,0,1|2,0,0]=4 147 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,0,0,1|2,0,0]=4 148 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,0,0,1|2,0,0]=4 149 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,0,0,1|2,0,0]=4 150 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,0,0,1|2,0,0]=4 151 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,0,0,1|2,0,0]=4 152 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,0,0,1|2,0,0]=4 153 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,0,0,1|2,0,0]=4 154 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,0,0,1|2,0,0]=4 155 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,0,0,1|2,0,0]=4 156 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,0,0,1|2,0,0]=4 157 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,0,0,1|2,0,0]=4 158 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,0,0,1|2,0,0]=4 159 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,0,0,1|2,0,0]=4 160 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,0,0,1|2,0,0]=4 161 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,0,0,1|2,0,0]=4 162 B6R1.5 O=C1CC(Br)C1 B8012 [0,1,0,0,0,1|2,0,0]=4 163 B6R1.5 O=C1CC(F)C1 F13109 [0,1,0,0,0,1|2,0,0]=4 164 B6R1.5 O=C1CC(O)C1 H10121 [0,1,0,0,0,1|2,0,0]=4 165 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,0,0,1|2,0,0]=4 166 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,0,0,1|2,0,0]=4 167 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,0,0,1|2,0,0]=4 168 B6R1.6 BrCC1COC1 B19169 [0,1,0,0,0,1|0,0,0]=2 169 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,0,0,1|0,0,0]=2 170 B6R1.6 C#CC1COC1 E59987 [0,1,0,0,0,1|0,0,1]=3 171 B6R1.6 CNC1CNC1 M1333 [0,1,0,0,0,1|1,0,0]=3 172 B6R1.6 CNC1COC1 M5690 [0,1,0,0,0,1|0,0,0]=2 173 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,0,0,1|1,0,0]=3 174 B6R1.6 COC1CNC1 M0107 [0,1,0,0,0,1|1,0,0]=3 175 B6R1.6 CSC1CNC1 M0303 [0,1,0,0,0,1|1,0,0]=3 176 B6R1.6 FCC1CNC1 F21648 [0,1,0,0,0,1|1,0,0]=3 177 B6R1.6 ICC1CCC1 I29708 [0,1,0,0,0,1|1,0,0]=3 178 B6R1.6 ICC1COC1 I6937 [0,1,0,0,0,1|0,0,0]=2 179 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,0,0,1|0,0,0]=2 180 B6R1.6 N#CC1CCC1 C5653 [0,1,0,0,0,1|1,0,1]=4 181 B6R1.6 N#CC1CNC1 A0188 [0,1,0,0,0,1|1,0,1]=4 182 B6R1.6 N#CC1COC1 X61554 [0,1,0,0,0,1|0,0,1]=3 183 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,0,0,1|1,0,1]=4 184 B6R1.6 NCC1CCC1 C0310 [0,1,0,0,0,1|1,0,0]=3 185 B6R1.6 NCC1CCC1 C1144 [0,1,0,0,0,1|1,0,0]=3 186 B6R1.6 NCC1CNC1 A13410 [0,1,0,0,0,1|1,0,0]=3 187 B6R1.6 NCC1COC1 O5691 [0,1,0,0,0,1|0,0,0]=2 188 B6R1.6 NCC1CSC1 T6978 [0,1,0,0,0,1|0,1,0]=3 189 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,0,0,1|0,0,0]=2 190 B6R1.6 NNC1CCC1 C37776 [0,1,0,0,0,1|2,0,0]=4 191 B6R1.6 OCC1CCC1 C67424 [0,1,0,0,0,1|1,0,0]=3 192 B6R1.6 OCC1CNC1 A5874 [0,1,0,0,0,1|1,0,0]=3 193 B6R1.6 OCC1CNC1 H12177 [0,1,0,0,0,1|1,0,0]=3 194 B6R1.6 OCC1COC1 X6263 [0,1,0,0,0,1|0,0,0]=2 195 B6R1.6 OCC1CSC1 T20107 [0,1,0,0,0,1|0,1,0]=3 196 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,0,0,1|1,0,0]=3 197 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,0,0,1|1,0,0]=3 198 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,0,0,1|1,0,0]=3 199 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,0,0,1|0,0,0]=2 200 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,0,0,1|1,0,0]=3 201 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,0,0,1|1,0,0]=3 202 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,0,0,1|1,0,0]=3 203 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,0,0,1|1,0,0]=3 204 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,0,0,1|1,0,0]=3 205 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,0,0,1|1,0,0]=3 206 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,0,0,1|1,0,0]=3 207 B6R1.10 CC1(N)COC1 M5614 [0,1,0,0,0,1|0,0,0]=2 208 B6R1.10 CC1(N)COC1 M7167 [0,1,0,0,0,1|0,0,0]=2 209 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,0,0,1|0,1,0]=3 210 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,0,0,1|1,0,0]=3 211 B6R1.10 CC1(O)COC1 M6651 [0,1,0,0,0,1|0,0,0]=2 212 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,0,0,1|0,1,0]=3 213 B6R1.10 FC1(F)CNC1 D0001 [0,1,0,0,0,1|2,0,0]=4 214 B6R1.3 CNCC1CC1 C25333 [0,2,0,0,0,0|1,0,0]=3 215 B6R1.3 ICCC1CC1 I23113 [0,2,0,0,0,0|1,0,0]=3 216 B6R1.3 NCCC1CC1 C7864 [0,2,0,0,0,0|1,0,0]=3 217 B6R1.3 NNCC1CC1 C25488 [0,2,0,0,0,0|1,0,0]=3 218 B6R1.3 NOCC1CC1 C36851 [0,2,0,0,0,0|1,0,0]=3 219 B6R1.3 O=CNC1CC1 C65862 [0,2,0,0,0,0|1,0,1]=4 220 B6R1.3 OCCC1CC1 C7861 [0,2,0,0,0,0|1,0,0]=3 221 B6R1.3 OCCN1CC1 A69643 [0,2,0,0,0,0|2,0,0]=4 222 B6R1.7 C#CC1(N)CC1 E64486 [0,2,0,0,0,0|1,0,1]=4 223 B6R1.7 CC1(CN)CC1 M41319 [0,2,0,0,0,0|1,0,0]=3 224 B6R1.7 CC1(CO)CC1 M29792 [0,2,0,0,0,0|1,0,0]=3 225 B6R1.7 CC1(CO)N=N1 M63686 [0,2,0,0,0,0|2,0,0]=4 226 B6R1.7 CCC1(N)CC1 E29724 [0,2,0,0,0,0|1,0,0]=3 227 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,2,0,0,0,0|0,0,0]=2 228 B6R1.7 N#CC1(N)CC1 A5725 [0,2,0,0,0,0|1,0,1]=4 229 B6R1.7 NC1(CO)CC1 A1400 [0,2,0,0,0,0|1,0,0]=3 230 B6R1.7 NC1(CO)CC1 A16823 [0,2,0,0,0,0|1,0,0]=3 231 B6R1.7 NCC1(F)CC1 F60284 [0,2,0,0,0,0|1,0,0]=3 232 B6R1.7 NCC1(O)CC1 A13658 [0,2,0,0,0,0|1,0,0]=3 233 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,2,0,0,0,0|1,0,0]=3 234 B6R1.11 C[C@H](N)C1CC1 C41318 [0,2,0,0,0,0|1,0,0]=3 235 B6R1.11 N=C(N)C1CC1 C1448 [0,2,0,0,0,0|1,0,1]=4 236 B6R1.11 O=C(O)C1CC1 C69104 [0,2,0,0,0,0|1,0,1]=4 237 B6R1.11 OB(O)C1CC1 C2414 [0,2,0,0,0,0|2,0,0]=4 238 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,2,0,0,0,0|1,0,0]=3 239 B6R1.9 N[C@H]1CC1(F)F D59725 [0,2,0,0,0,0|2,0,0]=4 240 B4R1.1 C1CNC1 A1584 [0,0,1,1,0,0|1,0,0]=3 241 B4R1.1 C1CNC1 A31833 [0,0,1,1,0,0|1,0,0]=3 242 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,0,2|2,0,0]=4 243 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,0,2|1,0,0]=3 244 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,0,0,2|0,0,2]=4 245 B6R1.2 CC1=COC=N1 M13405 [0,0,0,0,0,2|0,0,2]=4 246 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,0,2|1,0,1]=4 247 B6R1.2 CC1=NN=CO1 M32022 [0,0,0,0,0,2|0,0,2]=4 248 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,0,0,2|0,0,2]=4 249 B6R1.2 CC1=NON=C1 M62158 [0,0,0,0,0,2|0,0,2]=4 250 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,0,2|1,0,0]=3 251 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,0,2|1,0,0]=3 252 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,0,2|1,0,0]=3 253 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,0,2|1,0,0]=3 254 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,0,2|1,0,0]=3 255 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,0,2|1,0,0]=3 256 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,0,2|1,0,0]=3 257 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,0,2|2,0,0]=4 258 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,0,2|2,0,0]=4 259 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,0,2|2,0,0]=4 260 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,0,2|2,0,0]=4 261 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,0,2|1,0,0]=3 262 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,0,2|1,0,0]=3 263 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,0,2|1,0,0]=3 264 B6R1.2 NC1CC=CC1 A13279 [0,0,0,0,0,2|2,0,0]=4 265 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,0,2|2,0,0]=4 266 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,0,2|2,0,0]=4 267 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,0,2|1,0,0]=3 268 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,0,2|1,0,0]=3 269 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,0,2|2,0,0]=4 270 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,0,2|2,0,0]=4 271 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,0,2|1,0,0]=3 272 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,0,2|1,0,0]=3 273 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,0,2|1,0,0]=3 274 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,0,2|1,0,0]=3 275 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,0,2|1,0,1]=4 276 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,0,2|1,0,1]=4 277 B6R1.2 OC1CC=CC1 C67522 [0,0,0,0,0,2|2,0,0]=4 278 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,0,2|2,0,0]=4 279 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,0,2|2,0,0]=4 280 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,0,2|1,0,0]=3 281 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,0,2|2,0,0]=4 282 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,0,2|2,0,0]=4 283 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,0,2|2,0,0]=4 284 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,0,2|1,0,0]=3 285 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,0,2|1,0,0]=3 286 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,0,0,2|1,0,0]=3 287 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,0,2|1,0,0]=3