0 B3R0.2 C=C(C)[Mg+] K5651 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 CC(=O)O F69263 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)[O-] C69398 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)[O-] M67642 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 CC(=O)[O-] N62590 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(=O)[O-] P67455 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)[O-] R62611 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 CC(=O)[O-] S62515 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 CC(C)N P39142 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.2 C[S+](C)C T68118 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 C[S@](=O)[O-] S60840 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.2 Cl[Au](Cl)Cl G62417 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 Cl[Rh](Cl)Cl R69173 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[Ru](Cl)Cl R67677 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Ru](Cl)Cl R69358 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 N=C(N)Cl C39757 [0,0,0,0,0,0|1,0,0]=1 16 B3R0.2 NC(=S)S A39756 [0,0,0,0,0,0|1,1,0]=2 17 B3R0.2 O=C([O-])[O-] S60755 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 O[11B](O)O B5112 [0,0,0,0,0,0|3,0,0]=3 19 B2R0.1 Br[Ni]Br N62631 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 Br[Pd]Br P61170 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 CNN M39755 [1,0,0,0,0,0|2,0,0]=3 22 B2R0.1 CNO M67840 [1,0,0,0,0,0|2,0,0]=3 23 B2R0.1 CON H69345 [1,0,0,0,0,0|2,0,0]=3 24 B2R0.1 CSC C60754 [1,0,0,0,0,0|3,0,0]=4 25 B2R0.1 Cl[Pt]Cl P61330 [1,0,0,0,0,0|3,0,0]=4 26 B2R0.1 N=CN F67909 [1,0,0,0,0,0|0,0,0]=1 27 B4R0.1 C#CC(N)=O P39827 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 C#C[C@@H](C)O B62970 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C#C[C@H](C)N B32316 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 C#C[C@H](C)O B40212 [0,1,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(Br)CO B39863 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 C=C(I)CO I9998 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 C=NN(C)C D66909 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(=N)NN A38897 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(=O)CN A38843 [0,1,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)CO H60801 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(=O)NN A64932 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(C)=CBr B2881 [0,1,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(C)NN P67395 [0,1,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(C)NO P39934 [0,1,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(C)ON P39935 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(N)=NO H37897 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 CCB(O)O E3108 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.1 CCC(=N)N P39882 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CCC(=N)N P39927 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 CCC(N)=O P68920 [0,1,0,0,0,0|1,0,1]=3 47 B4R0.1 CC[C@H](C)N B62608 [0,1,0,0,0,0|2,0,1]=4 48 B4R0.1 CNC(=N)N M38407 [0,1,0,0,0,0|1,0,0]=2 49 B4R0.1 CNN(C)C T66359 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 COC(=N)N M69240 [0,1,0,0,0,0|0,0,0]=1 51 B4R0.1 CSC(=N)N M60715 [0,1,0,0,0,0|0,1,0]=2 52 B4R0.1 C[C@@H](Cl)CO C39879 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@@H](N)CN D39937 [0,1,0,0,0,0|1,0,2]=4 54 B4R0.1 C[C@@H](N)CO A13415 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 C[C@@H](O)CCl C67728 [0,1,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@@H](O)CN A67482 [0,1,0,0,0,0|1,0,1]=3 57 B4R0.1 C[C@H](Br)CN B39885 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 C[C@H](Cl)CO C39880 [0,1,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@H](N)CF F62811 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@H](N)CN P39936 [0,1,0,0,0,0|1,0,2]=4 61 B4R0.1 C[C@H](N)CO A13416 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.1 C[C@H](N)CO A69136 [0,1,0,0,0,0|1,0,1]=3 63 B4R0.1 C[C@H](O)CN A69178 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.1 C[C@H](O)CO P60705 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 N=C(N)CCl C39776 [0,1,0,0,0,0|1,0,0]=2 66 B4R0.1 N=C(N)CO H39795 [0,1,0,0,0,0|0,0,0]=1 67 B4R0.1 NC(=O)CBr B39771 [0,1,0,0,0,0|1,0,1]=3 68 B4R0.1 NC(=O)CI K60849 [0,1,0,0,0,0|1,0,1]=3 69 B4R0.1 NC(=O)CO H68919 [0,1,0,0,0,0|1,0,0]=2 70 B4R0.1 NC(=S)CF F6787 [0,1,0,0,0,0|1,1,0]=3 71 B4R0.1 NCC(N)=O G69255 [0,1,0,0,0,0|0,0,2]=3 72 B4R0.1 NNC(N)=O S69135 [0,1,0,0,0,0|0,0,2]=3 73 B4R0.1 NNC(N)=S T60590 [0,1,0,0,0,0|0,1,1]=3 74 B4R0.1 ON=C(Br)Br D2176 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.3 CS(N)(=O)=O M69310 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.3 NS(=O)(=O)Cl S60606 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.3 NS(N)(=O)=O S39159 [0,1,0,0,0,0|1,0,2]=4 78 B4R0.3 O=S(=O)(O)O M68565 [0,1,0,0,0,0|3,0,0]=4 79 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,1,0,0|2,0,1]=4 80 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,1,0,0|2,0,1]=4 81 B4R1.2 OC1CC1 C21681 [0,0,0,1,0,0|2,0,1]=4 82 B1R0.1 NN H69268 [2,0,0,0,0,0|0,0,1]=3 83 B1R0.1 S=[Ca] C64763 [2,0,0,0,0,0|1,1,0]=4 84 B3R0.1 C#CCN P39910 [1,1,0,0,0,0|1,0,1]=4 85 B3R0.1 CCCN P62456 [1,1,0,0,0,0|1,0,1]=4 86 B3R0.1 CCNC M39932 [1,1,0,0,0,0|1,0,1]=4 87 B3R0.1 CCON E60797 [1,1,0,0,0,0|1,0,1]=4 88 B3R0.1 N#CCN A68631 [1,1,0,0,0,0|0,0,2]=4 89 B3R0.1 NCCBr B68074 [1,1,0,0,0,0|1,0,1]=4 90 B3R0.1 NCCCl C68611 [1,1,0,0,0,0|1,0,1]=4 91 B3R0.1 NCCF F39796 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 C#CCC(=O)O B38084 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.1 C=C(C)CON M40345 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.1 C=C(C)OCC E5573 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 CC#CC(=O)O B67945 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.1 CCOC(=N)N E36845 [0,2,0,0,0,0|0,0,0]=2 97 B5R0.1 CCOC(=S)[S-] P69346 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 CCOC(C)=N E68065 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 CNCC(=O)O M68590 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.1 CNCC(N)=O M68358 [0,2,0,0,0,0|0,0,2]=4 101 B5R0.1 COCC(=N)N M39928 [0,2,0,0,0,0|0,0,0]=2 102 B5R0.1 COCC(=O)O M69331 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.1 COC[C@@H](C)N M40311 [0,2,0,0,0,0|1,0,1]=4 104 B5R0.1 C[C@@H](N)CCO A10772 [0,2,0,0,0,0|1,0,1]=4 105 B5R0.1 C[C@H](N)CCO A10771 [0,2,0,0,0,0|1,0,1]=4 106 B5R0.1 C[C@H](N)CCO A39964 [0,2,0,0,0,0|1,0,1]=4 107 B5R0.1 C\C(N)=C\C#N A60547 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.1 N#CCC(N)=O C60562 [0,2,0,0,0,0|0,0,2]=4 109 B5R0.1 NCCC(N)=O A67869 [0,2,0,0,0,0|0,0,2]=4 110 B5R0.1 NCC[P@H](=O)O A39788 [0,2,0,0,0,0|2,0,0]=4 111 B5R0.1 NOCC(=O)O C40302 [0,2,0,0,0,0|1,0,0]=3 112 B5R0.1 O=C(O)\C=C\Br B9431 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.3 C#CC(=O)OC M40108 [0,2,0,0,0,0|2,0,0]=4 114 B5R0.3 C=C(CO)CO M5145 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.3 C=CC(=O)NC M37664 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.3 C=C[C@H](N)CO A40343 [0,2,0,0,0,0|1,0,1]=4 117 B5R0.3 CCC(=N)NO H39883 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.3 CCC(=O)CN A32390 [0,2,0,0,0,0|1,0,1]=4 119 B5R0.3 CCC(=O)CO H36713 [0,2,0,0,0,0|2,0,0]=4 120 B5R0.3 CC[C@@H](N)CO A39144 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.3 CC[C@H](N)CO A39145 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.3 CNC(=O)CBr B60913 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.3 CNC(=O)CCl C67921 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.3 CNC(=S)NN M68621 [0,2,0,0,0,0|0,1,1]=4 125 B5R0.3 COC(=O)CN M69126 [0,2,0,0,0,0|1,0,0]=3 126 B5R0.3 COC(=O)CO M67586 [0,2,0,0,0,0|2,0,0]=4 127 B5R0.3 CO[C@@H](C)CN M40313 [0,2,0,0,0,0|1,0,1]=4 128 B5R0.3 CO[C@H](C)CN M40312 [0,2,0,0,0,0|1,0,1]=4 129 B5R0.3 CSC(=N)NN M5959 [0,2,0,0,0,0|0,1,0]=3 130 B5R0.3 N=C(NN)NN D39133 [0,2,0,0,0,0|1,0,0]=3 131 B5R0.3 NCC(O)CN D38498 [0,2,0,0,0,0|0,0,2]=4 132 B5R0.3 NC[C@@H](O)CCl A39888 [0,2,0,0,0,0|1,0,1]=4 133 B5R0.3 NC[C@@H](O)CO A67523 [0,2,0,0,0,0|1,0,1]=4 134 B5R0.3 NC[C@H](O)CCl A36622 [0,2,0,0,0,0|1,0,1]=4 135 B5R0.3 NC[C@H](O)CCl A39887 [0,2,0,0,0,0|1,0,1]=4 136 B5R0.3 NC[C@H](O)CF A28629 [0,2,0,0,0,0|1,0,1]=4 137 B5R0.3 NC[C@H](O)CO A38562 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.3 NC[C@H](O)CO A67451 [0,2,0,0,0,0|1,0,1]=4 139 B5R0.3 NNC(=O)CO H32091 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.4 CC(C)(N)CO A68632 [0,2,0,0,0,0|1,0,1]=4 141 B5R0.4 CC(C)(O)CN A10987 [0,2,0,0,0,0|1,0,1]=4 142 B5R0.5 C=C(F)C(=O)O F39831 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.5 CC(C)C(=N)N B40303 [0,2,0,0,0,0|1,0,0]=3 144 B5R0.5 CC(C)C(N)=O I4848 [0,2,0,0,0,0|1,0,1]=4 145 B5R0.5 CC(C)C(N)=S M3101 [0,2,0,0,0,0|1,1,0]=4 146 B5R0.5 CC(O)C(=O)[O-] C60888 [0,2,0,0,0,0|2,0,0]=4 147 B5R0.5 CN(C)C(=S)Cl D8332 [0,2,0,0,0,0|1,1,0]=4 148 B5R0.5 CN(N)C(N)=O M1991 [0,2,0,0,0,0|0,0,2]=4 149 B5R0.5 CN(N)C(N)=S M39785 [0,2,0,0,0,0|0,1,1]=4 150 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,2,0,0,0,0|2,0,0]=4 151 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,2,0,0,0,0|0,0,2]=4 152 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,2,0,0,0,0|1,0,0]=3 153 B5R0.5 C[C@H](N)C(=O)O A39925 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.5 C[C@H](N)C(=O)O A60902 [0,2,0,0,0,0|1,0,0]=3 155 B5R0.5 NC(=S)C(F)F D6794 [0,2,0,0,0,0|1,1,0]=4 156 B5R0.5 O=C(O)C(=O)O A69569 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.5 O=C(O)C(=O)O E39942 [0,2,0,0,0,0|2,0,0]=4 158 B5R1.2 NC1COC1 O5613 [0,1,0,1,0,0|1,0,1]=4 159 B5R1.2 O=C1CNC1 A1318 [0,1,0,1,0,0|1,0,1]=4 160 B5R1.2 O=C1COC1 O4015 [0,1,0,1,0,0|2,0,0]=4 161 B5R1.2 OC1CNC1 H2864 [0,1,0,1,0,0|1,0,1]=4