0 B4R0.1 C#CC(=O)O 23201 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(C)=O 2024 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=C(C)CCl 20429 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=C(Cl)C#N 15121 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=CC(=O)O 21090 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C=CC(N)=O 14147 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C[N+](=O)[O-] 14436 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(=O)CBr 24199 [0,0,0,0,0,0|2,1,1]=4 8 B4R0.1 CC(C)=CBr 29713 [0,0,0,0,0,0|2,1,0]=3 9 B4R0.1 CC=C(C)C 2026 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CCC([NH-])=O 10938 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CN(C)C=O 23341 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 CNC(N)=S 35584 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 COC(C)=N 2122 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 COC(Cl)Cl 2376 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CSC(=N)N 20041 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 C[C@@H](Cl)CO 8287 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C[C@@H](O)CCl 14071 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C[C@H](Cl)CO 8285 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C[C@H](O)CCl 14072 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 C\C(N)=N\O 31948 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.1 C\C=C(/C)Br 29073 [0,0,0,0,0,0|2,1,0]=3 22 B4R0.1 N#CC(Cl)Cl 17242 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 N=C(N)CCl 20222 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 NC(=O)CBr 31995 [0,0,0,0,0,0|2,1,1]=4 25 B4R0.1 NC(=O)CI 12542 [0,0,0,0,0,0|2,1,1]=4 26 B4R0.1 NCC(=O)O 18924 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 NCC(=O)[O-] 26210 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 NCC(=O)[O-] 9921 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 NCC(N)=O 13019 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 NNC(N)=O 15701 [0,0,0,0,0,0|4,0,0]=4 31 B4R0.1 NNC(N)=S 13594 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.1 O=C(Cl)CBr 24880 [0,0,0,0,0,0|1,1,1]=3 33 B4R0.1 O=C(O)CBr 13144 [0,0,0,0,0,0|2,1,1]=4 34 B4R0.1 O=CC(=O)O 19965 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 ON=C(Br)Br 18640 [0,0,0,0,0,0|2,2,0]=4 36 B4R0.1 PCC(Cl)Cl 6479 [0,0,0,0,0,0|1,0,2]=3 37 B3R0.1 C=CC=O 23303 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 C=CCCl 35025 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.1 C=CCI 12655 [1,0,0,0,0,0|1,1,1]=4 40 B3R0.1 C=CCN 19133 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.1 CNC=O 35283 [1,0,0,0,0,0|3,0,0]=4 42 B3R0.1 NNC=O 32333 [1,0,0,0,0,0|3,0,0]=4 43 B3R0.2 C=C(C)Br 27228 [1,0,0,0,0,0|1,1,0]=3 44 B3R0.2 CC(=O)Cl 17265 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.2 CC(=O)O 22173 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.2 CC(=O)[O-] 10966 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.2 CC(=O)[O-] 18178 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.2 CC(=O)[O-] 26340 [1,0,0,0,0,0|2,0,1]=4 49 B3R0.2 CC(=O)[O-] 3997 [1,0,0,0,0,0|2,0,1]=4 50 B3R0.2 CC(O)=S 28961 [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 CC([O-])=S 25455 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.2 ClC(Br)Br 12531 [1,0,0,0,0,0|0,2,1]=4 53 B3R0.2 Cl[Ru](Cl)Cl 7652 [1,0,0,0,0,0|1,0,0]=2 54 B3R0.2 N=C(N)N 21372 [1,0,0,0,0,0|3,0,0]=4 55 B3R0.2 N=C(N)N 36005 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.2 O=C([O-])O 23592 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.2 O=C([O-])[O-] 19981 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.2 O=C([O-])[O-] 26167 [1,0,0,0,0,0|3,0,0]=4 59 B3R0.2 PC(Cl)Cl 6473 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CC(=O)\C=N\O 13359 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.1 CC(=O)\C=N\O 31878 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 CC(C)=CC=O 3075 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.1 CC(C)=CCBr 35170 [0,1,0,0,0,0|2,1,0]=4 64 B5R0.1 CCCC(=O)Cl 13241 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 O=C(Cl)CCBr 31904 [0,1,0,0,0,0|1,1,1]=4 66 B5R0.1 O=C(Cl)CCCl 13691 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 O=C(O)CCCl 13689 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 O=C(O)\C=C\Cl 35750 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 O=C(O)\C=C\I 11671 [0,1,0,0,0,0|2,1,0]=4 70 B5R0.3 C=CC(=O)CBr 13741 [0,1,0,0,0,0|2,1,0]=4 71 B5R0.3 C=CC(=O)CO 32353 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.3 O=CC(Cl)C=O 27131 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.3 OC(CCl)CCl 5871 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,1,0,0,0,0|1,1,1]=4 75 B5R0.4 O=S(=O)(Cl)CCl 12506 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.5 C=C(C)C(=C)C 36156 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.5 C=C(C)C(=O)Cl 45061 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.5 C=C(C)C(=O)[O-] 13118 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.5 C=C(C)C(=O)[O-] 13119 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.5 C=C(C)C(=O)[O-] 21062 [0,1,0,0,0,0|3,0,0]=4 81 B5R0.5 C=C(C)C(=O)[O-] 21065 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.5 CC(=O)C(=O)O 18177 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.5 CC(Br)C(=O)Cl 35707 [0,1,0,0,0,0|1,1,1]=4 84 B5R0.5 CC(C)C(=O)Cl 18648 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.5 CC(Cl)C(=O)O 5746 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.5 CN(C)C(=O)Cl 29326 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.5 CN(C)C(=S)Cl 35206 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,1,0,0,0,0|2,0,0]=3 90 B5R0.5 NC(=O)C(N)=O 17273 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.5 NC(=S)C(N)=S 20269 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.5 O=C(O)C(=O)O 17416 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.5 O=C(O)C(=O)O 22393 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.5 O=C([O-])C(Cl)Cl 27176 [0,1,0,0,0,0|1,0,1]=3 95 B2R0.1 ClCBr 2209 [2,0,0,0,0,0|0,1,1]=4 96 B2R0.1 Cl[Co]Cl 25246 [2,0,0,0,0,0|1,0,0]=3 97 B2R0.1 FCCl 35673 [2,0,0,0,0,0|0,1,1]=4 98 B4R0.2 C=CC[Pd]Cl 16020 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.2 C\C=C\CC 19602 [1,1,0,0,0,0|2,0,0]=4 100 B4R0.2 C\C=C\CO 21075 [1,1,0,0,0,0|2,0,0]=4 101 B4R0.3 CP(=O)(Cl)Cl 25538 [1,1,0,0,0,0|1,0,1]=4 102 B4R0.3 O=S(=O)(Cl)Cl 25435 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.2 CC(Cl)OC(=O)Cl 17418 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.4 C=CCOC(=O)Cl 20427 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.4 O=C(Cl)CCCCl 32347 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.8 ClC[Si](Cl)(Cl)CCl 36267 [0,2,0,0,0,0|0,1,1]=4 108 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl 45113 [0,2,0,0,0,0|0,0,1]=3 109 B4R1.2 CC1=CC1 18904 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 ClC1=CC=CS1 7376 [0,1,0,1,0,0|2,0,0]=4 111 B6R1.2 ClC1=CN=NS1 24997 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.2 ClC1=CNN=C1 14005 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.2 ClC1=CSC=C1 5477 [0,1,0,1,0,0|2,0,0]=4 114 B6R1.2 ClC1=NC=CN1 7597 [0,1,0,1,0,0|2,0,0]=4 115 B6R1.2 ClC1=NC=CS1 15569 [0,1,0,1,0,0|2,0,0]=4 116 B6R1.2 ClC1=NC=NS1 20014 [0,1,0,1,0,0|2,0,0]=4 117 B6R1.2 ClC1=NNC=C1 23622 [0,1,0,1,0,0|2,0,0]=4