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|2,0,0]=2 3 B3R0.2 CC(=O)[O-] M67642 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)[O-] N62590 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)[O-] P67455 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] R62611 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] S62515 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 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|1,0,1]=2 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|2,0,0]=2 18 B3R0.2 O[11B](O)O B5112 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=4 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|0,0,1]=2 27 B4R0.1 C#CC(N)=O P39827 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 C#C[C@H](C)N B32316 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(Br)CO B39863 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(I)CO I9998 [0,1,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(=N)NN A38897 [0,1,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CN A38843 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 CC(=O)CO H60801 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)NN A64932 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(C)=CBr B2881 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(C)NN P67395 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(C)NO P39934 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)ON P39935 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(N)=NO H37897 [0,1,0,0,0,0|1,0,1]=3 40 B4R0.1 CCC(=N)N P39882 [0,1,0,0,0,0|1,0,1]=3 41 B4R0.1 CCC(=N)N P39927 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 CCC(N)=O P68920 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 CC[C@H](C)N B62608 [0,1,0,0,0,0|2,0,1]=4 44 B4R0.1 CC[S@](=O)[O-] S39781 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 CNC(=N)N M38407 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 CNN(C)C T66359 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 COC(=N)N M69240 [0,1,0,0,0,0|0,0,2]=3 48 B4R0.1 CSC(=N)N M60715 [0,1,0,0,0,0|0,1,1]=3 49 B4R0.1 C[C@@H](N)CN D39937 [0,1,0,0,0,0|1,0,1]=3 50 B4R0.1 C[C@@H](N)CO A13415 [0,1,0,0,0,0|1,0,2]=4 51 B4R0.1 C[C@@H](O)CN A67482 [0,1,0,0,0,0|1,0,2]=4 52 B4R0.1 C[C@H](Br)CN B39885 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@H](N)CF F62811 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 C[C@H](N)CN P39936 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 C[C@H](N)CO A13416 [0,1,0,0,0,0|1,0,2]=4 56 B4R0.1 C[C@H](N)CO A69136 [0,1,0,0,0,0|1,0,2]=4 57 B4R0.1 C[C@H](O)CN A69178 [0,1,0,0,0,0|1,0,2]=4 58 B4R0.1 N=C(N)CCl C39776 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.1 N=C(N)CO H39795 [0,1,0,0,0,0|0,0,2]=3 60 B4R0.1 NC(=O)CBr B39771 [0,1,0,0,0,0|1,0,0]=2 61 B4R0.1 NC(=O)CI K60849 [0,1,0,0,0,0|1,0,0]=2 62 B4R0.1 NC(=O)CO H68919 [0,1,0,0,0,0|1,0,0]=2 63 B4R0.1 NC(=S)CF F6787 [0,1,0,0,0,0|1,1,0]=3 64 B4R0.1 NCC(N)=O G69255 [0,1,0,0,0,0|0,0,0]=1 65 B4R0.1 NNC(N)=O S69135 [0,1,0,0,0,0|0,0,0]=1 66 B4R0.1 NNC(N)=S T60590 [0,1,0,0,0,0|0,1,0]=2 67 B4R0.1 ON=C(Br)Br D2176 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.3 CS(=O)(=O)[O-] S62601 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.3 CS(C)(=O)=O M60798 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.3 CS(N)(=O)=O M69310 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.3 C[S+](C)(C)=O T39939 [0,1,0,0,0,0|3,0,0]=4 72 B4R0.3 C[S+](C)(C)=O T69142 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.3 NS(=O)(=O)Cl S60606 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.3 NS(N)(=O)=O S39159 [0,1,0,0,0,0|1,0,0]=2 76 B4R0.3 O=S(=O)(O)O M68565 [0,1,0,0,0,0|3,0,0]=4 77 B4R0.3 O=S(=O)([O-])[O-] A64802 [0,1,0,0,0,0|3,0,0]=4 78 B4R0.3 O=S(=O)([O-])[O-] C60885 [0,1,0,0,0,0|3,0,0]=4 79 B4R0.3 O=S(=O)([O-])[O-] C64768 [0,1,0,0,0,0|3,0,0]=4 80 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,1,0,0|2,0,1]=4 81 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,1,0,0|2,0,1]=4 82 B1R0.1 NN H69268 [2,0,0,0,0,0|0,0,0]=2 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 CC#CC(=O)O B67945 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 CC(=O)CC#N X40158 [0,2,0,0,0,0|1,0,1]=4 96 B5R0.1 CC(=O)CCCl C69539 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.1 CCOC(=N)N E36845 [0,2,0,0,0,0|0,0,2]=4 98 B5R0.1 CNCC(=O)O M68590 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 CNCC(N)=O M68358 [0,2,0,0,0,0|0,0,0]=2 100 B5R0.1 COCC(=N)N M39928 [0,2,0,0,0,0|0,0,2]=4 101 B5R0.1 COCC(=O)O M69331 [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 C\C(N)=C\C#N A60547 [0,2,0,0,0,0|1,0,1]=4 103 B5R0.1 N#CCC(N)=O C60562 [0,2,0,0,0,0|0,0,1]=3 104 B5R0.1 NCCC(N)=O A67869 [0,2,0,0,0,0|0,0,0]=2 105 B5R0.1 NCC[P@H](=O)O A39788 [0,2,0,0,0,0|2,0,0]=4 106 B5R0.1 NOCC(=O)O C40302 [0,2,0,0,0,0|1,0,0]=3 107 B5R0.1 O=C(O)\C=C\Br B9431 [0,2,0,0,0,0|2,0,0]=4 108 B5R0.3 C#CC(=O)OC M40108 [0,2,0,0,0,0|2,0,0]=4 109 B5R0.3 C=CC(=O)NC M37664 [0,2,0,0,0,0|1,0,0]=3 110 B5R0.3 CCC(=N)NO H39883 [0,2,0,0,0,0|1,0,1]=4 111 B5R0.3 CCC(=O)CN A32390 [0,2,0,0,0,0|1,0,0]=3 112 B5R0.3 CCC(=O)CO H36713 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.3 CNC(=O)CBr B60913 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.3 CNC(=O)CCl C67921 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.3 CNC(=S)NN M68621 [0,2,0,0,0,0|0,1,0]=3 116 B5R0.3 COC(=O)CN M69126 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.3 COC(=O)CO M67586 [0,2,0,0,0,0|2,0,0]=4 118 B5R0.3 CSC(=N)NN M5959 [0,2,0,0,0,0|0,1,1]=4 119 B5R0.3 N=C(NN)NN D39133 [0,2,0,0,0,0|1,0,0]=3 120 B5R0.3 NCC(O)CN D38498 [0,2,0,0,0,0|0,0,2]=4 121 B5R0.3 NNC(=O)CO H32091 [0,2,0,0,0,0|1,0,0]=3 122 B5R0.3 O=C(CCl)CCl D4849 [0,2,0,0,0,0|2,0,0]=4 123 B5R0.4 CC(C)(N)CN M25502 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.4 CCS(N)(=O)=O E39787 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.4 CNS(C)(=O)=O M39134 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.5 C=C(F)C(=O)O F39831 [0,2,0,0,0,0|2,0,0]=4 127 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,2,0,0,0,0|2,0,0]=4 128 B5R0.5 CC(C)C(=N)N B40303 [0,2,0,0,0,0|1,0,1]=4 129 B5R0.5 CC(C)C(N)=O I4848 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.5 CC(C)C(N)=S M3101 [0,2,0,0,0,0|1,1,0]=4 131 B5R0.5 CC(O)C(=O)[O-] C60888 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.5 CN(C)C(=S)Cl D8332 [0,2,0,0,0,0|1,1,0]=4 133 B5R0.5 CN(N)C(N)=O M1991 [0,2,0,0,0,0|0,0,0]=2 134 B5R0.5 CN(N)C(N)=S M39785 [0,2,0,0,0,0|0,1,0]=3 135 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,2,0,0,0,0|0,0,0]=2 137 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.5 C[C@H](N)C(=O)O A39925 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.5 C[C@H](N)C(=O)O A60902 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.5 NC(=S)C(F)F D6794 [0,2,0,0,0,0|1,1,0]=4 141 B5R0.5 O=C(O)C(=O)O A69569 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.5 O=C(O)C(=O)O E39942 [0,2,0,0,0,0|2,0,0]=4 143 B5R1.2 NC1CNC1 A5482 [0,1,0,1,0,0|1,0,1]=4 144 B5R1.2 O=C1CCC1 C8674 [0,1,0,1,0,0|2,0,0]=4 145 B5R1.2 O=C1CNC1 A1318 [0,1,0,1,0,0|1,0,0]=3 146 B5R1.2 O=C1COC1 O4015 [0,1,0,1,0,0|2,0,0]=4 147 B5R1.2 O=C1CSC1 T6026 [0,1,0,1,0,0|2,0,0]=4