0 B2R0.1 Br[Ni]Br N62631 [0,0,0,0,0,0|3,0,0]=3 1 B2R0.1 Br[Pd]Br P61170 [0,0,0,0,0,0|3,0,0]=3 2 B2R0.1 CNN M39755 [0,0,0,0,0,0|2,0,1]=3 3 B2R0.1 CNO M67840 [0,0,0,0,0,0|1,0,1]=2 4 B2R0.1 CON H69345 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 CSC C60754 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 Cl[Pt]Cl P61330 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 N=CN F67909 [0,0,0,0,0,0|3,0,0]=3 8 B1R0.1 NN H69268 [1,0,0,0,0,0|1,0,1]=3 9 B1R0.1 S=[Ca] C64763 [1,0,0,0,0,0|1,1,0]=3 10 B3R0.1 C#CCN P39910 [0,1,0,0,0,0|3,0,0]=4 11 B3R0.1 C#C[Zn]Cl E7775 [0,1,0,0,0,0|3,0,0]=4 12 B3R0.1 CCCN P62456 [0,1,0,0,0,0|3,0,0]=4 13 B3R0.1 CCNC M39932 [0,1,0,0,0,0|2,0,1]=4 14 B3R0.1 CCON E60797 [0,1,0,0,0,0|2,0,0]=3 15 B3R0.1 FCCI F39767 [0,1,0,0,0,0|3,0,0]=4 16 B3R0.1 N#CCI K39764 [0,1,0,0,0,0|3,0,0]=4 17 B3R0.1 N#CCN A68631 [0,1,0,0,0,0|3,0,0]=4 18 B3R0.1 NCCBr B68074 [0,1,0,0,0,0|3,0,0]=4 19 B3R0.1 NCCCl C68611 [0,1,0,0,0,0|3,0,0]=4 20 B3R0.1 NCCF F39796 [0,1,0,0,0,0|3,0,0]=4 21 B3R0.2 C=C(C)[Mg+] K5651 [0,1,0,0,0,0|3,0,0]=4 22 B3R0.2 CC(=O)O F69263 [0,1,0,0,0,0|1,0,0]=2 23 B3R0.2 CC(=O)[O-] C69398 [0,1,0,0,0,0|1,0,1]=3 24 B3R0.2 CC(=O)[O-] M67642 [0,1,0,0,0,0|1,0,1]=3 25 B3R0.2 CC(=O)[O-] N62590 [0,1,0,0,0,0|1,0,1]=3 26 B3R0.2 CC(=O)[O-] P67455 [0,1,0,0,0,0|1,0,1]=3 27 B3R0.2 CC(=O)[O-] R62611 [0,1,0,0,0,0|1,0,1]=3 28 B3R0.2 CC(=O)[O-] S62515 [0,1,0,0,0,0|1,0,1]=3 29 B3R0.2 CC(C)N P39142 [0,1,0,0,0,0|3,0,0]=4 30 B3R0.2 C[S+](C)C T68118 [0,1,0,0,0,0|3,0,0]=4 31 B3R0.2 C[S@](=O)[O-] S60840 [0,1,0,0,0,0|1,0,1]=3 32 B3R0.2 Cl[Au](Cl)Cl G62417 [0,1,0,0,0,0|3,0,0]=4 33 B3R0.2 Cl[Rh](Cl)Cl R69173 [0,1,0,0,0,0|3,0,0]=4 34 B3R0.2 Cl[Ru](Cl)Cl R67677 [0,1,0,0,0,0|3,0,0]=4 35 B3R0.2 Cl[Ru](Cl)Cl R69358 [0,1,0,0,0,0|3,0,0]=4 36 B3R0.2 N=C(N)Cl C39757 [0,1,0,0,0,0|3,0,0]=4 37 B3R0.2 NC(=S)S A39756 [0,1,0,0,0,0|1,2,0]=4 38 B3R0.2 O=C([O-])[O-] S60755 [0,1,0,0,0,0|1,0,1]=3 39 B3R0.2 O[11B](O)O B5112 [0,1,0,0,0,0|1,0,1]=3 40 B0R0.1 [Cl-] P2784 [2,0,0,0,0,0|0,0,0]=2 41 B0R0.1 [Ir] K62516 [2,0,0,0,0,0|0,0,0]=2 42 B0R0.1 [Mg+2] M64761 [2,0,0,0,0,0|0,0,0]=2 43 B4R0.1 C#CC(N)=O P39827 [0,2,0,0,0,0|2,0,0]=4 44 B4R0.1 C#C[C@@H](C)O B62970 [0,2,0,0,0,0|2,0,0]=4 45 B4R0.1 C#C[C@H](C)O B40212 [0,2,0,0,0,0|2,0,0]=4 46 B4R0.1 C=C(Br)CO B39863 [0,2,0,0,0,0|2,0,0]=4 47 B4R0.1 C=C(I)CO I9998 [0,2,0,0,0,0|2,0,0]=4 48 B4R0.1 C=NN(C)C D66909 [0,2,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(=O)CN A38843 [0,2,0,0,0,0|2,0,0]=4 50 B4R0.1 CC(=O)CO H60801 [0,2,0,0,0,0|1,0,0]=3 51 B4R0.1 CC(=O)NN A64932 [0,2,0,0,0,0|1,0,1]=4 52 B4R0.1 CC(C)NO P39934 [0,2,0,0,0,0|1,0,1]=4 53 B4R0.1 CC(C)ON P39935 [0,2,0,0,0,0|2,0,0]=4 54 B4R0.1 CC(N)=NO H37897 [0,2,0,0,0,0|1,0,0]=3 55 B4R0.1 CCB(O)O E3108 [0,2,0,0,0,0|1,0,1]=4 56 B4R0.1 CCC(N)=O P68920 [0,2,0,0,0,0|2,0,0]=4 57 B4R0.1 CC[S@](=O)[O-] S39781 [0,2,0,0,0,0|1,0,1]=4 58 B4R0.1 COC(=N)N M69240 [0,2,0,0,0,0|2,0,0]=4 59 B4R0.1 C[C@@H](Cl)CO C39879 [0,2,0,0,0,0|2,0,0]=4 60 B4R0.1 C[C@@H](N)CO A13415 [0,2,0,0,0,0|2,0,0]=4 61 B4R0.1 C[C@@H](O)CCl C67728 [0,2,0,0,0,0|2,0,0]=4 62 B4R0.1 C[C@@H](O)CN A67482 [0,2,0,0,0,0|2,0,0]=4 63 B4R0.1 C[C@H](Cl)CO C39880 [0,2,0,0,0,0|2,0,0]=4 64 B4R0.1 C[C@H](N)CO A13416 [0,2,0,0,0,0|2,0,0]=4 65 B4R0.1 C[C@H](N)CO A69136 [0,2,0,0,0,0|2,0,0]=4 66 B4R0.1 C[C@H](O)CN A69178 [0,2,0,0,0,0|2,0,0]=4 67 B4R0.1 C[C@H](O)CO P60705 [0,2,0,0,0,0|1,0,1]=4 68 B4R0.1 N=C(N)CO H39795 [0,2,0,0,0,0|2,0,0]=4 69 B4R0.1 NC(=O)CBr B39771 [0,2,0,0,0,0|2,0,0]=4 70 B4R0.1 NC(=O)CI K60849 [0,2,0,0,0,0|2,0,0]=4 71 B4R0.1 NC(=O)CO H68919 [0,2,0,0,0,0|1,0,0]=3 72 B4R0.1 NCC(N)=O G69255 [0,2,0,0,0,0|2,0,0]=4 73 B4R0.1 NNC(N)=O S69135 [0,2,0,0,0,0|1,0,1]=4 74 B4R0.1 ON=C(Br)Br D2176 [0,2,0,0,0,0|1,0,0]=3 75 B4R0.2 C#CCCO B26554 [0,2,0,0,0,0|2,0,0]=4 76 B4R0.2 C#CCON P6115 [0,2,0,0,0,0|2,0,0]=4 77 B4R0.2 C=CCCO B40252 [0,2,0,0,0,0|2,0,0]=4 78 B4R0.2 C=CCON A39923 [0,2,0,0,0,0|2,0,0]=4 79 B4R0.2 CC#CCO H64582 [0,2,0,0,0,0|2,0,0]=4 80 B4R0.2 COCCBr B39138 [0,2,0,0,0,0|2,0,0]=4 81 B4R0.2 COCCI K39881 [0,2,0,0,0,0|2,0,0]=4 82 B4R0.2 N#CCCO H67414 [0,2,0,0,0,0|2,0,0]=4 83 B4R0.2 NCCCO A69322 [0,2,0,0,0,0|2,0,0]=4 84 B4R0.2 NOCCO A39786 [0,2,0,0,0,0|1,0,1]=4 85 B4R0.2 OCC#CI I9917 [0,2,0,0,0,0|2,0,0]=4 86 B4R0.2 OCCCBr B39137 [0,2,0,0,0,0|2,0,0]=4 87 B4R0.2 OCCCO P69117 [0,2,0,0,0,0|1,0,1]=4 88 B4R0.3 CS(=O)(=O)[O-] S62601 [0,2,0,0,0,0|1,0,1]=4 89 B4R0.3 CS(C)(=O)=O M60798 [0,2,0,0,0,0|1,0,1]=4 90 B4R0.3 CS(N)(=O)=O M69310 [0,2,0,0,0,0|1,0,1]=4 91 B4R0.3 C[S+](C)(C)=O T39939 [0,2,0,0,0,0|2,0,0]=4 92 B4R0.3 C[S+](C)(C)=O T69142 [0,2,0,0,0,0|2,0,0]=4 93 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,2,0,0,0,0|1,0,1]=4 94 B4R0.3 NS(=O)(=O)Cl S60606 [0,2,0,0,0,0|1,0,1]=4 95 B4R0.3 NS(N)(=O)=O S39159 [0,2,0,0,0,0|1,0,1]=4 96 B4R0.3 O=S(=O)(O)O M68565 [0,2,0,0,0,0|1,0,0]=3 97 B4R0.3 O=S(=O)([O-])[O-] A64802 [0,2,0,0,0,0|1,0,1]=4 98 B4R0.3 O=S(=O)([O-])[O-] C60885 [0,2,0,0,0,0|1,0,1]=4 99 B4R0.3 O=S(=O)([O-])[O-] C64768 [0,2,0,0,0,0|1,0,1]=4 100 B4R1.2 OC1CC1 C21681 [0,1,0,1,0,0|2,0,0]=4