0 B3R0.2 C=C(C)[Mg+] K5651 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 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|2,0,0]=2 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|4,0,0]=4 16 B3R0.2 NC(=S)S A39756 [0,0,0,0,0,0|2,2,0]=4 17 B3R0.2 O=C([O-])[O-] S60755 [0,0,0,0,0,0|1,0,1]=2 18 B3R0.2 O[11B](O)O B5112 [0,0,0,0,0,0|1,0,2]=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|2,0,1]=4 22 B2R0.1 CNO M67840 [1,0,0,0,0,0|1,0,1]=3 23 B2R0.1 CON H69345 [1,0,0,0,0,0|3,0,0]=4 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|3,0,0]=4 27 B4R0.1 C#CC(N)=O P39827 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 C#C[C@@H](C)O B62970 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 C#C[C@H](C)O B40212 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 C=C(Br)CO B39863 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 C=C(I)CO I9998 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 CC(=O)CN A38843 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 35 B4R0.1 CC(C)NO P39934 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(C)ON P39935 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(N)=NO H37897 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 CCB(O)O E3108 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 CCC(N)=O P68920 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 CC[S@](=O)[O-] S39781 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 COC(=N)N M69240 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 C[C@@H](Cl)CO C39879 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 C[C@@H](N)CO A13415 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.1 C[C@@H](O)CCl C67728 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 C[C@@H](O)CN A67482 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 C[C@H](Cl)CO C39880 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 C[C@H](N)CO A13416 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 C[C@H](N)CO A69136 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.1 C[C@H](O)CN A69178 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.1 C[C@H](O)CO P60705 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 N=C(N)CO H39795 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.1 NC(=O)CBr B39771 [0,1,0,0,0,0|3,0,0]=4 53 B4R0.1 NC(=O)CI K60849 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.1 NC(=O)CO H68919 [0,1,0,0,0,0|2,0,0]=3 55 B4R0.1 NCC(N)=O G69255 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.1 NNC(N)=O S69135 [0,1,0,0,0,0|3,0,0]=4 57 B4R0.1 ON=C(Br)Br D2176 [0,1,0,0,0,0|3,0,0]=4 58 B4R0.3 CS(=O)(=O)[O-] S62601 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.3 CS(C)(=O)=O M60798 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.3 CS(N)(=O)=O M69310 [0,1,0,0,0,0|2,0,1]=4 61 B4R0.3 C[S+](C)(C)=O T39939 [0,1,0,0,0,0|3,0,0]=4 62 B4R0.3 C[S+](C)(C)=O T69142 [0,1,0,0,0,0|3,0,0]=4 63 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,1,0,0,0,0|1,1,0]=3 64 B4R0.3 NS(=O)(=O)Cl S60606 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.3 NS(N)(=O)=O S39159 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.3 O=S(=O)(O)O M68565 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.3 O=S(=O)([O-])[O-] A64802 [0,1,0,0,0,0|1,0,1]=3 68 B4R0.3 O=S(=O)([O-])[O-] C60885 [0,1,0,0,0,0|1,0,1]=3 69 B4R0.3 O=S(=O)([O-])[O-] C64768 [0,1,0,0,0,0|1,0,1]=3 70 B4R1.2 OC1CC1 C21681 [0,0,0,1,0,0|3,0,0]=4 71 B1R0.1 NN H69268 [2,0,0,0,0,0|1,0,1]=4 72 B1R0.1 S=[Ca] C64763 [2,0,0,0,0,0|1,1,0]=4 73 B3R0.1 CCON E60797 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.1 C#CCC(=O)O B38084 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.1 CC#CC(=O)O B67945 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.1 CNCC(=O)O M68590 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.1 COCC(=O)O M69331 [0,2,0,0,0,0|1,0,1]=4 78 B5R0.1 NCC[P@H](=O)O A39788 [0,2,0,0,0,0|1,1,0]=4 79 B5R0.1 NOCC(=O)O C40302 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.1 O=C(O)\C=C\Br B9431 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.1 O=[N+]([O-])CCO N39779 [0,2,0,0,0,0|0,0,0]=2 82 B5R0.3 C#CC(=O)OC M40108 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.3 CCC(=O)CO H36713 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.3 COC(=O)CN M69126 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.3 COC(=O)CO M67586 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.3 NNC(=O)CO H32091 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.3 O=C[C@H](O)CO D39873 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.4 COS(C)(=O)=O M67643 [0,2,0,0,0,0|1,0,1]=4 89 B5R0.5 C=C(F)C(=O)O F39831 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,2,0,0,0,0|1,0,1]=4 91 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.5 CC(O)C(=O)[O-] C60888 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.5 C[C@H](N)C(=O)O A39925 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 C[C@H](N)C(=O)O A60902 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.5 O=C(O)C(=O)O A69569 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.5 O=C(O)C(=O)O E39942 [0,2,0,0,0,0|1,0,1]=4 99 B5R1.2 O=C1COC1 O4015 [0,1,0,1,0,0|2,0,0]=4