0 B4R0.1 C#C[C@@H](C)O B62970 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@H](C)N B32316 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@H](C)O B40212 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=NN(C)C D66909 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=N)NN A38897 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)CN A38843 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(=O)CO H60801 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 CC(=O)NN A64932 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(C)=CBr B2881 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(C)NN P67395 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(C)NO P39934 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.1 CC(C)ON P39935 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(N)=NO H37897 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CC[C@H](C)N B62608 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 CNN(C)C T66359 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C[C@@H](Cl)CO C39879 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C[C@@H](N)CN D39937 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C[C@@H](N)CO A13415 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C[C@@H](O)CCl C67728 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C[C@@H](O)CN A67482 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C[C@H](Br)CN B39885 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 C[C@H](Cl)CO C39880 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 C[C@H](N)CF F62811 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C[C@H](N)CN P39936 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 C[C@H](N)CO A13416 [0,0,0,0,0,0|1,0,2]=3 25 B4R0.1 C[C@H](N)CO A69136 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.1 C[C@H](O)CN A69178 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 C[C@H](O)CO P60705 [0,0,0,0,0,0|1,0,2]=3 28 B3R0.1 C#CCN P39910 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 CCCN P62456 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.1 CCNC M39932 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 CCON E60797 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 FCCI F39767 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 N#CCI K39764 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 N#CCN A68631 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 NCCBr B68074 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 NCCCl C68611 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 NCCF F39796 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.2 C=C(C)[Mg+] K5651 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.2 CC(=O)O F69263 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.2 CC(=O)[O-] C69398 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.2 CC(=O)[O-] M67642 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.2 CC(=O)[O-] N62590 [1,0,0,0,0,0|1,0,1]=3 43 B3R0.2 CC(=O)[O-] P67455 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.2 CC(=O)[O-] R62611 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.2 CC(=O)[O-] S62515 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.2 CC(C)N P39142 [1,0,0,0,0,0|1,0,0]=2 47 B3R0.2 C[S+](C)C T68118 [1,0,0,0,0,0|1,0,1]=3 48 B3R0.2 C[S@](=O)[O-] S60840 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 O=C([O-])[O-] S60755 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 C=CC[C@H](C)O P62507 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 CC#C[C@H](C)O B1790 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(C)CNN B40316 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.1 CC(C)\C=N\O I2624 [0,1,0,0,0,0|0,0,1]=2 54 B5R0.1 CCC[C@@H](C)N P16023 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 CCC[C@H](C)N P22363 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 CN(C)CC=O D39943 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.1 CN(C)CCBr B39953 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 CN(C)NC=O D66358 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.1 COC[C@@H](C)N M40311 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.1 COC[C@@H](C)O M39959 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.1 COC[C@H](C)O M61064 [0,1,0,0,0,0|1,0,2]=4 62 B5R0.1 C[C@@H](N)CCO A10772 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.1 C[C@H](N)CCO A10771 [0,1,0,0,0,0|1,0,2]=4 64 B5R0.1 C[C@H](N)CCO A39964 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.1 C[C@H](O)CCO B68917 [0,1,0,0,0,0|1,0,2]=4 66 B5R0.1 C\C(N)=C\C#N A60547 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.3 C=CC(=O)NC M37664 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.3 C=C[C@H](C)ON B40346 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.3 C=C[C@H](N)CO A40343 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 CC(CBr)CBr D40238 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.3 CC(CO)CO M60880 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.3 CCC(N)CC P40440 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.3 CC[C@@H](N)CO A39144 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.3 CC[C@@H](O)CO B39955 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.3 CC[C@H](N)CO A39145 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.3 CC[C@H](O)CO B39956 [0,1,0,0,0,0|1,0,2]=4 77 B5R0.3 CO[C@@H](C)CN M40313 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.3 CO[C@@H](C)CO M68380 [0,1,0,0,0,0|0,0,2]=3 79 B5R0.3 CO[C@H](C)CN M40312 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.3 CO[C@H](C)CO M68381 [0,1,0,0,0,0|0,0,2]=3 81 B5R0.3 NCC(O)CN D38498 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.3 NC[C@@H](O)CCl A39888 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 NC[C@@H](O)CO A67523 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.3 NC[C@H](Br)CBr D9273 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 NC[C@H](O)CCl A36622 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 NC[C@H](O)CCl A39887 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 NC[C@H](O)CF A28629 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.3 NC[C@H](O)CO A38562 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.3 NC[C@H](O)CO A67451 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.3 O=CC(Br)C=O B2627 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.3 O=C[C@H](O)CO D39873 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.3 OC[C@@H](O)CCl C69122 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.3 OC[C@@H](O)CF F60905 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.3 OC[C@H](O)CCl C68371 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.3 OC[C@H](O)CF F60904 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.4 C#CC(C)(C)C D2889 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.4 C#C[Si](C)(C)C E40399 [0,1,0,0,0,0|1,1,1]=4 98 B5R0.4 C=C[Si](C)(C)C E25225 [0,1,0,0,0,0|1,1,0]=3 99 B5R0.4 CC(C)(C)CN D41344 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.4 CC(C)(C)C[Mg+] D31702 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.4 CC(C)(C)NO B41419 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.4 CC(C)(C)ON B40314 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.4 CC(C)(F)CO F64897 [0,1,0,0,0,0|0,0,2]=3 104 B5R0.4 CC(C)(N)C#N A39161 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.4 CC(C)(N)CN M25502 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.4 CC(C)(N)CO A68632 [0,1,0,0,0,0|0,0,2]=3 107 B5R0.4 CC(C)(O)CCl C40272 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.4 CC(C)(O)CN A10987 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.4 CC(C)(O)CO M37968 [0,1,0,0,0,0|0,0,2]=3 110 B5R0.4 CC(C)(S)CN A40315 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.4 CC(F)(F)CN D38838 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.4 C[Si](C)(C)CI K39963 [0,1,0,0,0,0|1,1,1]=4 113 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.5 C=C(F)C(=O)O F39831 [0,1,0,0,0,0|1,0,2]=4 115 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,1,0,0,0,0|1,0,1]=3 116 B5R0.5 CC(C)B(O)O P39893 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.5 CC(C)C(=N)N B40303 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.5 CC(C)C(N)=O I4848 [0,1,0,0,0,0|0,0,0]=1 119 B5R0.5 CC(C)C(N)=S M3101 [0,1,0,0,0,0|0,1,0]=2 120 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.5 CC(O)C(=O)[O-] C60888 [0,1,0,0,0,0|1,0,0]=2 122 B5R0.5 CN(C)C(=S)Cl D8332 [0,1,0,0,0,0|1,1,0]=3 123 B5R0.5 CN(N)C(N)=O M1991 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.5 CN(N)C(N)=S M39785 [0,1,0,0,0,0|2,1,0]=4 125 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,1,0,0,0,0|1,0,0]=2 127 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.5 C[C@H](N)C(=O)O A39925 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.5 C[C@H](N)C(=O)O A60902 [0,1,0,0,0,0|1,0,0]=2 131 B5R0.5 C[C@H](O)[C@H](C)O B39958 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.5 NC(=S)C(F)F D6794 [0,1,0,0,0,0|2,1,0]=4 133 B5R0.5 O=C(O)C(=O)O A69569 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.5 O=C(O)C(=O)O E39942 [0,1,0,0,0,0|2,0,1]=4 135 B5R1.2 BrC1CCC1 B23687 [0,0,0,1,0,0|2,0,1]=4 136 B5R1.2 BrC1CNC1 B13326 [0,0,0,1,0,0|2,0,1]=4 137 B5R1.2 BrC1COC1 B5688 [0,0,0,1,0,0|1,0,2]=4 138 B5R1.2 CC1CNC1 M1321 [0,0,0,1,0,0|1,0,1]=3 139 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,1,0,0|2,0,0]=3 140 B5R1.2 ClC1CNC1 C1323 [0,0,0,1,0,0|2,0,1]=4 141 B5R1.2 ClC1COC1 C8470 [0,0,0,1,0,0|1,0,2]=4 142 B5R1.2 FC1CNC1 F5255 [0,0,0,1,0,0|2,0,1]=4 143 B5R1.2 IC1CCC1 I23424 [0,0,0,1,0,0|2,0,1]=4 144 B5R1.2 IC1CNC1 I13327 [0,0,0,1,0,0|2,0,1]=4 145 B5R1.2 IC1COC1 I5689 [0,0,0,1,0,0|1,0,2]=4 146 B5R1.2 NC1CCC1 C60561 [0,0,0,1,0,0|2,0,1]=4 147 B5R1.2 NC1CNC1 A5482 [0,0,0,1,0,0|2,0,1]=4 148 B5R1.2 NC1COC1 O5613 [0,0,0,1,0,0|1,0,2]=4 149 B5R1.2 NC1CSC1 T6025 [0,0,0,1,0,0|1,1,1]=4 150 B5R1.2 OC1CNC1 H2864 [0,0,0,1,0,0|2,0,1]=4 151 B5R1.2 OC1COC1 O5686 [0,0,0,1,0,0|1,0,2]=4 152 B5R1.2 SC1CNC1 A11453 [0,0,0,1,0,0|2,0,1]=4 153 B5R1.2 SC1COC1 O8471 [0,0,0,1,0,0|1,0,2]=4 154 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,1,0,0|2,0,1]=4 155 B5R1.3 BrCC1CC1 C2498 [0,0,0,1,0,0|1,0,1]=3 156 B5R1.3 CNC1CC1 M1319 [0,0,0,1,0,0|2,0,0]=3 157 B5R1.3 CNC1CC1 M14718 [0,0,0,1,0,0|2,0,0]=3 158 B5R1.3 ClC[C@@H]1CO1 E10841 [0,0,0,1,0,0|2,0,1]=4 159 B5R1.3 ClC[C@H]1CO1 E10840 [0,0,0,1,0,0|2,0,1]=4 160 B5R1.3 NNC1CC1 C19179 [0,0,0,1,0,0|2,0,0]=3 161 B5R1.3 NNC1CC1 C32080 [0,0,0,1,0,0|2,0,0]=3 162 B5R1.3 O=CC1CC1 C20058 [0,0,0,1,0,0|0,0,0]=1 163 B5R1.3 OC[C@@H]1CO1 X39872 [0,0,0,1,0,0|1,0,2]=4 164 B5R1.3 OC[C@H]1CO1 X60516 [0,0,0,1,0,0|1,0,2]=4 165 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,0,1,0,0|1,0,1]=3 166 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,0,0,1,0,0|2,0,1]=4 167 B5R1.5 CC1(Br)CC1 B29865 [0,0,0,1,0,0|2,0,1]=4 168 B5R1.5 CC1(N)CC1 M13330 [0,0,0,1,0,0|2,0,1]=4 169 B5R1.5 CC1(O)CC1 M22890 [0,0,0,1,0,0|2,0,1]=4 170 B2R0.1 CNN M39755 [2,0,0,0,0,0|2,0,0]=4 171 B2R0.1 CNO M67840 [2,0,0,0,0,0|1,0,1]=4 172 B2R0.1 CON H69345 [2,0,0,0,0,0|2,0,0]=4 173 B2R0.1 CSC C60754 [2,0,0,0,0,0|1,0,0]=3 174 B2R0.1 N=CN F67909 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.2 BrCCCBr D69412 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.2 C#CCCN B40327 [1,1,0,0,0,0|1,0,1]=4 177 B4R0.2 C#CCCO B26554 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.2 C#CCNC M60803 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.2 C=CCCN B21913 [1,1,0,0,0,0|1,0,0]=3 180 B4R0.2 C=CCCO B40252 [1,1,0,0,0,0|1,0,0]=3 181 B4R0.2 C=CCON A39923 [1,1,0,0,0,0|2,0,0]=4 182 B4R0.2 CCCNN P39906 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.2 CNCC#N M39141 [1,1,0,0,0,0|1,0,1]=4 184 B4R0.2 CNCCBr B38473 [1,1,0,0,0,0|1,0,1]=4 185 B4R0.2 CNCCCl C39886 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.2 COCCBr B39138 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.2 COCCI K39881 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.2 CSCCN M62136 [1,1,0,0,0,0|1,0,1]=4 189 B4R0.2 ClCCCI C1367 [1,1,0,0,0,0|1,0,1]=4 190 B4R0.2 ICCCI D39865 [1,1,0,0,0,0|1,0,1]=4 191 B4R0.2 N#CCCN C64951 [1,1,0,0,0,0|1,0,1]=4 192 B4R0.2 N#CCCO H67414 [1,1,0,0,0,0|1,0,1]=4 193 B4R0.2 N#CCCS M39860 [1,1,0,0,0,0|1,0,1]=4 194 B4R0.2 NCCCCl C37835 [1,1,0,0,0,0|1,0,1]=4 195 B4R0.2 NCCCO A69322 [1,1,0,0,0,0|0,0,2]=4 196 B4R0.2 NOCCO A39786 [1,1,0,0,0,0|2,0,0]=4 197 B4R0.2 OCCCBr B39137 [1,1,0,0,0,0|0,0,2]=4 198 B4R0.2 OCCCO P69117 [1,1,0,0,0,0|0,0,2]=4 199 B4R0.3 CS(=O)(=O)[O-] S62601 [1,1,0,0,0,0|2,0,0]=4 200 B4R0.3 CS(C)(=O)=O M60798 [1,1,0,0,0,0|1,0,0]=3 201 B4R0.3 CS(N)(=O)=O M69310 [1,1,0,0,0,0|2,0,0]=4 202 B4R0.3 C[N+](C)(C)C T68346 [1,1,0,0,0,0|1,0,1]=4 203 B4R0.3 C[N+](C)(C)C T68617 [1,1,0,0,0,0|1,0,1]=4 204 B4R0.3 C[N+](C)(C)C T69133 [1,1,0,0,0,0|1,0,1]=4 205 B4R0.3 C[S+](C)(C)=O T39939 [1,1,0,0,0,0|1,0,0]=3 206 B4R0.3 C[S+](C)(C)=O T69142 [1,1,0,0,0,0|1,0,0]=3 207 B4R0.3 C[S@@](=O)([O-])=S S39758 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.1 C=CC[C@@H](N)CO A41325 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.1 CO[C@@H](C)CCO M68623 [0,2,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(=O)C=C(C)N A41256 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(=O)NC(C)C P40402 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.2 CC(C)=CB(O)O D3007 [0,2,0,0,0,0|0,0,2]=4 214 B6R0.2 CC(C)CB(O)O M4460 [0,2,0,0,0,0|0,0,2]=4 215 B6R0.2 CC(C)C[C@H](C)N M43511 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.2 CC(C)NC(C)C D64760 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.2 CN(C)CC(=O)Cl D40251 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.2 CN(C)CC(N)=S D69472 [0,2,0,0,0,0|1,1,0]=4 219 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.3 C=C(CBr)C(=O)O B40169 [0,2,0,0,0,0|0,0,2]=4 226 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,2,0,0,0,0|0,0,1]=3 227 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 CC(C)C(=O)NN I0020 [0,2,0,0,0,0|0,0,0]=2 229 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,2,0,0,0,0|0,0,2]=4 230 B6R0.3 CC(C)[C@H](N)CO V40442 [0,2,0,0,0,0|0,0,2]=4 231 B6R0.3 CC(C)\C(N)=N\O H39948 [0,2,0,0,0,0|0,0,1]=3 232 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.3 CCC(=O)N(C)C D67412 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 CCN(C)C(=O)Cl E40250 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 CCN(C)C(C)=O E40404 [0,2,0,0,0,0|1,0,0]=3 236 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,2,0,0,0,0|0,0,0]=2 237 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.3 CC[C@H](C)B(O)O B39967 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.3 CN(C)C(=O)CBr B40249 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.3 CN(C)C(=O)CN A39947 [0,2,0,0,0,0|1,0,0]=3 245 B6R0.3 CN(C)C(=O)CN A40307 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.3 CN(C)C(=O)CN A61441 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.3 CN(C)C(=O)CO H40267 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,2,0,0,0,0|0,0,0]=2 250 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,2,0,0,0,0|0,0,0]=2 251 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.3 COC(=O)[C@H](C)N A68085 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.3 COC(=O)[C@H](C)N M68343 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.3 COC(=O)[C@H](C)O M69777 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.3 CON(C)C(C)=O M3307 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,2,0,0,0,0|0,0,0]=2 258 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,2,0,0,0,0|0,0,0]=2 259 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,2,0,0,0,0|0,0,0]=2 260 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,2,0,0,0,0|0,0,0]=2 261 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.4 CC(C)=CCCBr B0351 [0,2,0,0,0,0|1,0,1]=4 274 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.4 CC(C)CCCO M67872 [0,2,0,0,0,0|0,0,2]=4 276 B6R0.4 CC(C)NCCCl C40431 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.4 CC(C)OCCBr B69154 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.4 CN(C)\C=C\C=O D36904 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.5 C=CCC(C)(C)O M8263 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.5 C=CO[Si](C)(C)C V40439 [0,2,0,0,0,0|1,1,0]=4 281 B6R0.5 CC(C)(C)C#CI I1890 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.5 CC(C)(C)CCBr B41571 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.5 CC(C)(F)CCN F62077 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.5 CC(C)(N)CCN M37075 [0,2,0,0,0,0|1,0,1]=4 285 B6R0.5 CC(C)(N)CCO A40444 [0,2,0,0,0,0|0,0,2]=4 286 B6R0.5 CC(C)(O)CCN A61563 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.5 CNCC(C)(C)O M40445 [0,2,0,0,0,0|1,0,1]=4 288 B6R0.5 COCC(C)(C)O M40434 [0,2,0,0,0,0|0,0,2]=4 289 B6R0.5 C[Si](C)(C)\C=C\I K60897 [0,2,0,0,0,0|1,1,0]=4 290 B6R0.8 C#C[C@@](C)(N)CC M43435 [0,2,0,0,0,0|1,0,1]=4 291 B6R0.8 CC(C)(C#N)CO H38135 [0,2,0,0,0,0|0,0,2]=4 292 B6R0.8 CC(C)(CO)CCl C40423 [0,2,0,0,0,0|0,0,2]=4 293 B6R0.8 CC[C@](C)(N)C#N A40368 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.8 CNC(C)(C)CO M40446 [0,2,0,0,0,0|0,0,2]=4 295 B6R0.8 COC(C)(C)CN M6043 [0,2,0,0,0,0|1,0,1]=4 296 B6R0.8 O=CC(Br)(Br)CBr T32084 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.9 CCC(CC)C[Mg+] E31704 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.9 CCN(C=O)CC D68184 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.9 COC(C=O)OC D38564 [0,2,0,0,0,0|0,0,0]=2 300 B6R0.9 COC(CBr)OC B25077 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.9 COC(CN)OC D39146 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.9 OCC(CO)CO H36774 [0,2,0,0,0,0|0,0,2]=4 303 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,2,0,0,0,0|0,0,0]=2 304 B6R0.7 CC(C)(C)C(=N)N P41342 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,2,0,0,0,0|0,0,0]=2 306 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,2,0,0,0,0|0,0,0]=2 307 B6R0.7 CC(C)(C)C(N)=O T40403 [0,2,0,0,0,0|0,0,0]=2 308 B6R0.7 CC(C)(C)C(N)=S D40417 [0,2,0,0,0,0|0,1,0]=3 309 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.7 CC(C)(F)C(=O)O F60900 [0,2,0,0,0,0|0,0,0]=2 312 B6R0.7 CC(C)(O)C(N)=O H40266 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.7 CC(C)S(N)(=O)=O P39892 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.7 CC(C)[B-](F)(F)F P69633 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.7 CC(F)(F)C(=O)O D39849 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.7 CN(C)S(N)(=O)=O D38500 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.7 NC(=O)C(F)(F)F T69114 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.7 O=C(O)C(F)(F)Br B39790 [0,2,0,0,0,0|2,0,0]=4 320 B6R0.7 O=C(O)C(F)(F)F E20763 [0,2,0,0,0,0|2,0,0]=4 321 B6R0.7 O=C(O)C(F)(F)F F60389 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.7 O=C(O)C(F)(F)F F60468 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.7 O=C(O)C(F)(F)F M20739 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.7 O=C([O-])C(F)(F)Br P39793 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.7 O=C([O-])C(F)(F)Cl S64975 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.7 O=C([O-])C(F)(F)F P67834 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.7 O=C([O-])C(F)(F)F S67853 [0,2,0,0,0,0|2,0,0]=4 328 B4R1.1 C1CNC1 A1584 [1,0,0,1,0,0|1,0,1]=4 329 B4R1.1 C1CNC1 A31833 [1,0,0,1,0,0|1,0,1]=4 330 B4R1.2 BrC1CC1 B23669 [1,0,0,1,0,0|1,0,1]=4 331 B4R1.2 C[C@@H]1CN1 M6947 [1,0,0,1,0,0|1,0,1]=4 332 B4R1.2 C[C@H]1CN1 M6944 [1,0,0,1,0,0|1,0,1]=4 333 B4R1.2 OC1CC1 C21681 [1,0,0,1,0,0|0,0,2]=4 334 B6R1.2 C[C@@H]1CCCN1 M23610 [0,1,0,1,0,0|1,0,1]=4 335 B6R1.2 C[C@@H]1CCNC1 M22540 [0,1,0,1,0,0|1,0,1]=4 336 B6R1.2 C[C@H]1CCCN1 M21836 [0,1,0,1,0,0|1,0,1]=4 337 B6R1.2 C[C@H]1CCCN1 M24199 [0,1,0,1,0,0|1,0,1]=4 338 B6R1.2 C[C@H]1CCCN1 M24435 [0,1,0,1,0,0|1,0,1]=4 339 B6R1.2 C[C@H]1CCNC1 M22012 [0,1,0,1,0,0|1,0,1]=4 340 B6R1.2 C[C@H]1CCNC1 M69520 [0,1,0,1,0,0|1,0,1]=4 341 B6R1.2 NC1CC=CC1 A13279 [0,1,0,1,0,0|2,0,0]=4 342 B6R1.2 OC1CC=CC1 C67522 [0,1,0,1,0,0|2,0,0]=4 343 B6R1.3 CNCC1CC1 C25333 [0,1,0,1,0,0|1,0,1]=4 344 B6R1.3 ICCC1CC1 I23113 [0,1,0,1,0,0|1,0,1]=4 345 B6R1.3 NCCC1CC1 C7864 [0,1,0,1,0,0|1,0,1]=4 346 B6R1.3 NNCC1CC1 C25488 [0,1,0,1,0,0|1,0,1]=4 347 B6R1.3 NOCC1CC1 C36851 [0,1,0,1,0,0|0,0,2]=4 348 B6R1.3 O=CNC1CC1 C65862 [0,1,0,1,0,0|0,0,0]=2 349 B6R1.3 OCCC1CC1 C7861 [0,1,0,1,0,0|0,0,2]=4 350 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,1,0,0|0,0,0]=2 351 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,1,0,0|1,0,1]=4 352 B6R1.5 NC1CC(=O)C1 A0660 [0,1,0,1,0,0|1,0,0]=3 353 B6R1.5 O=C1CC(Br)C1 B8012 [0,1,0,1,0,0|1,0,0]=3 354 B6R1.5 O=C1CC(F)C1 F13109 [0,1,0,1,0,0|1,0,0]=3 355 B6R1.5 O=C1CC(O)C1 H10121 [0,1,0,1,0,0|1,0,0]=3 356 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,1,0,1,0,0|1,0,1]=4 357 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,1,0,0|1,0,1]=4 358 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,1,0,0|1,0,1]=4 359 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,1,0,0|1,0,1]=4 360 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,1,0,0|1,0,1]=4 361 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,1,0,0|1,0,1]=4 362 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,1,0,0|1,0,1]=4 363 B6R1.10 CC1(N)COC1 M5614 [0,1,0,1,0,0|0,0,2]=4 364 B6R1.10 CC1(N)COC1 M7167 [0,1,0,1,0,0|0,0,2]=4 365 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,1,0,0|0,1,1]=4 366 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,1,0,0|1,0,1]=4 367 B6R1.10 CC1(O)COC1 M6651 [0,1,0,1,0,0|0,0,2]=4 368 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,1,0,0|0,1,1]=4 369 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,1,0,1,0,0|1,0,1]=4 370 B6R1.11 C[C@H](N)C1CC1 C41318 [0,1,0,1,0,0|1,0,1]=4 371 B6R1.11 N=C(N)C1CC1 C1448 [0,1,0,1,0,0|1,0,0]=3 372 B6R1.11 O=C(O)C1CC1 C69104 [0,1,0,1,0,0|0,0,0]=2 373 B6R1.11 OB(O)C1CC1 C2414 [0,1,0,1,0,0|1,0,1]=4 374 B6R1.4 CC1NCC1F F21597 [0,1,0,1,0,0|1,0,1]=4 375 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,1,0,0|0,0,2]=4 376 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,1,0,0|0,0,0]=2 377 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,1,0,0|0,0,0]=2 378 B6R1.4 N[C@@H]1CNC1=O A60450 [0,1,0,1,0,0|1,0,0]=3 379 B6R1.4 N[C@H]1CNC1=O A39918 [0,1,0,1,0,0|1,0,0]=3 380 B6R1.6 BrCC1COC1 B19169 [0,1,0,1,0,0|0,0,2]=4 381 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,1,0,0|1,0,1]=4 382 B6R1.6 C#CC1COC1 E59987 [0,1,0,1,0,0|1,0,1]=4 383 B6R1.6 CNC1CNC1 M1333 [0,1,0,1,0,0|1,0,1]=4 384 B6R1.6 CNC1COC1 M5690 [0,1,0,1,0,0|0,0,2]=4 385 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,1,0,0|2,0,0]=4 386 B6R1.6 COC1CNC1 M0107 [0,1,0,1,0,0|1,0,1]=4 387 B6R1.6 CSC1CNC1 M0303 [0,1,0,1,0,0|1,0,1]=4 388 B6R1.6 FCC1CNC1 F21648 [0,1,0,1,0,0|1,0,1]=4 389 B6R1.6 ICC1CCC1 I29708 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.6 ICC1COC1 I6937 [0,1,0,1,0,0|0,0,2]=4 391 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.6 N#CC1CCC1 C5653 [0,1,0,1,0,0|1,0,1]=4 393 B6R1.6 N#CC1CNC1 A0188 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.6 N#CC1COC1 X61554 [0,1,0,1,0,0|1,0,1]=4 395 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,1,0,0|1,0,1]=4 396 B6R1.6 NCC1CCC1 C0310 [0,1,0,1,0,0|1,0,1]=4 397 B6R1.6 NCC1CCC1 C1144 [0,1,0,1,0,0|1,0,1]=4 398 B6R1.6 NCC1CNC1 A13410 [0,1,0,1,0,0|1,0,1]=4 399 B6R1.6 NCC1COC1 O5691 [0,1,0,1,0,0|0,0,2]=4 400 B6R1.6 NCC1CSC1 T6978 [0,1,0,1,0,0|0,1,1]=4 401 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.6 NNC1CCC1 C37776 [0,1,0,1,0,0|2,0,0]=4 403 B6R1.6 OCC1CCC1 C67424 [0,1,0,1,0,0|0,0,2]=4 404 B6R1.6 OCC1CNC1 A5874 [0,1,0,1,0,0|0,0,2]=4 405 B6R1.6 OCC1CNC1 H12177 [0,1,0,1,0,0|0,0,2]=4 406 B6R1.6 OCC1COC1 X6263 [0,1,0,1,0,0|0,0,2]=4 407 B6R1.6 OCC1CSC1 T20107 [0,1,0,1,0,0|0,0,2]=4 408 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,1,0,0|0,0,2]=4 409 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,1,0,0|0,0,2]=4 410 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,1,0,0|0,0,2]=4 411 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,1,0,0|0,0,2]=4 412 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,1,0,0|1,0,1]=4 413 B6R1.7 C#CC1(N)CC1 E64486 [0,1,0,1,0,0|1,0,1]=4 414 B6R1.7 CC1(CN)CC1 M41319 [0,1,0,1,0,0|1,0,1]=4 415 B6R1.7 CC1(CO)CC1 M29792 [0,1,0,1,0,0|0,0,2]=4 416 B6R1.7 CC1(CO)N=N1 M63686 [0,1,0,1,0,0|2,0,0]=4 417 B6R1.7 CCC1(N)CC1 E29724 [0,1,0,1,0,0|1,0,1]=4 418 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,1,0,1,0,0|0,0,2]=4 419 B6R1.7 N#CC1(N)CC1 A5725 [0,1,0,1,0,0|1,0,1]=4 420 B6R1.7 NC1(CO)CC1 A1400 [0,1,0,1,0,0|0,0,2]=4 421 B6R1.7 NC1(CO)CC1 A16823 [0,1,0,1,0,0|0,0,2]=4 422 B6R1.7 NCC1(F)CC1 F60284 [0,1,0,1,0,0|1,0,1]=4 423 B6R1.7 NCC1(O)CC1 A13658 [0,1,0,1,0,0|1,0,1]=4