0 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [0,0,0,0,0,0|1,1,0]=2 1 B5R0.4 CC(C)(Br)C=O 5926AA [0,0,0,0,0,0|2,0,0]=2 2 B5R0.4 CC(C)(I)C#N 5659AL [0,0,0,0,0,0|2,0,1]=3 3 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,0,0,0,0,0|2,0,2]=4 4 B5R0.4 CS[Si](C)(C)C V3240 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.4 C[Si](C)(C)ON 1405AB [0,0,0,0,0,0|3,1,0]=4 6 B4R0.1 C#CC(C)N 3873AJ [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 C#C[C@@H](C)O 4141AL [1,0,0,0,0,0|0,0,2]=3 8 B4R0.1 C#C[C@H](C)N 9107AH [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 C#C[C@H](C)O 4183AL [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,2]=3 11 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 19 B4R0.3 CC(C)(C)N 9036AL [1,0,0,0,0,0|1,0,1]=3 20 B4R0.3 CP(C)(=S)Cl 7720AL [1,0,0,0,0,0|2,1,0]=4 21 B4R0.3 C[Ge](C)(C)Cl Y1383 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.3 C[N+](C)(C)C 8641AB [1,0,0,0,0,0|2,0,1]=4 23 B4R0.3 C[N+](C)(C)C 9124AL [1,0,0,0,0,0|2,0,1]=4 24 B4R0.3 C[P+](C)(C)C X4911 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.3 C[Pt](C)(C)I 7052AA [1,0,0,0,0,0|2,0,1]=4 26 B4R0.3 C[Sn](C)(Cl)Cl 6867AF [1,0,0,0,0,0|3,0,0]=4 27 B6R0.5 C=CCC(C)(C)C 6312AL [0,1,0,0,0,0|1,0,0]=2 28 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,0,0,0,0|1,0,0]=2 29 B6R0.5 CC(C)(C)CC#N X4017 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.5 CC(C)(C)NC#N 7313AF [0,1,0,0,0,0|2,0,1]=4 31 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|0,0,2]=3 32 B6R0.5 CCNC(C)(C)C 3737AE [0,1,0,0,0,0|1,0,2]=4 33 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|1,0,2]=4 34 B6R0.5 C\C=C\C(F)(F)F 2771AE [0,1,0,0,0,0|3,0,0]=4 35 B6R0.7 C=C(C)C(F)(F)F 1867AE [0,1,0,0,0,0|3,0,0]=4 36 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,0,0|0,0,1]=2 38 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,1,0,0,0,0|3,0,0]=4 39 B6R0.7 CC(C)(C)[S@@]([O-])=S X2035 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,0,0|2,0,0]=3 41 B6R0.7 CC(C)(N)C(N)=O 5432AJ [0,1,0,0,0,0|2,0,0]=3 42 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,0,0|2,0,0]=3 43 B6R0.7 CC(C)C(C)(C)C 5081AL [0,1,0,0,0,0|1,0,2]=4 44 B6R0.7 CC(C)C(C)(C)N Y5738 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.7 CC(N)C(C)(C)C 2177AE [0,1,0,0,0,0|1,0,2]=4 46 B6R0.8 C=CS(=O)(=O)NC 2577AB [0,1,0,0,0,0|2,0,1]=4 47 B6R0.8 C=C[Si](C)(C)C=C 1189AA [0,1,0,0,0,0|1,1,0]=3 48 B6R0.8 CC(C)(CCl)CCl 3020AB [0,1,0,0,0,0|2,0,1]=4 49 B6R0.8 CC(C)(CN)CO W4996 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.8 CCC(C)(C)CO Y7195 [0,1,0,0,0,0|0,0,2]=3 51 B6R0.8 CCC(C)(N)C#N Z4767 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.8 CCC(C)(N)CC 1117AE [0,1,0,0,0,0|1,0,2]=4 53 B6R0.8 CCC(C)(O)C#N 5636AB [0,1,0,0,0,0|1,0,1]=3 54 B6R0.8 CNC(C)(C)CN 8305AH [0,1,0,0,0,0|2,0,1]=4 55 B6R0.8 COC(C)(C)ON 8694AL [0,1,0,0,0,0|1,0,1]=3 56 B6R1.7 C[C@]1(CO)CO1 1288AL [0,0,0,1,0,0|1,0,1]=3 57 B6R1.7 NC1(CO)CC1 V2301 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.7 NCC1(O)CC1 W8222 [0,0,0,1,0,0|1,0,1]=3 59 B6R1.10 CC1(C)CCN1 Y7008 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|1,0,2]=4 61 B6R1.10 CC1(N)COC1 6470AA [0,0,0,1,0,0|2,0,1]=4 62 B6R1.10 CC1(N)COC1 W8972 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.10 O=S1(=O)C=CC1 8838AE [0,0,0,1,0,0|2,0,1]=4 64 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 65 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 66 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|1,0,0]=3 68 B3R0.2 CC(Br)Br 4360AL [2,0,0,0,0,0|2,0,0]=4 69 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|0,0,2]=4 72 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|0,0,2]=4 73 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|0,0,0]=2 74 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|0,0,2]=4 75 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|0,0,2]=4 76 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|0,0,2]=4 77 B5R0.1 CC(C)CON 7310AJ [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 CC(C)C[Mg]Br 8722AJ [1,1,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [1,1,0,0,0,0|2,0,0]=4 80 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|0,0,2]=4 82 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|0,0,2]=4 83 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|0,0,2]=4 84 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|0,0,2]=4 85 B5R0.1 CNCC(C)O 5343AD [1,1,0,0,0,0|0,0,2]=4 86 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,0,2]=4 87 B5R0.1 C[C@@H](O)CC#N 1173AL [1,1,0,0,0,0|0,0,2]=4 88 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|0,0,0]=2 89 B5R0.1 O=C(O)\C=C/Br V3608 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 O=C(O)\C=C/I 9333AB [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 O=C(O)\C=C\I V7047 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.3 C#CC(O)CC X7089 [1,1,0,0,0,0|0,0,2]=4 93 B5R0.3 C=CC(C)ON 4429AJ [1,1,0,0,0,0|0,0,0]=2 94 B5R0.3 C=C[C@H](N)CO 2392AL [1,1,0,0,0,0|1,0,0]=3 95 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,1]=4 96 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|1,0,1]=4 97 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,2]=4 98 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|2,0,0]=4 100 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|1,0,1]=4 101 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,0,2]=4 102 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.3 CN[C@@H](C)CO X7940 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 105 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,2]=4 106 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,2]=4 107 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,2]=4 108 B5R0.3 O=C[C@@H](O)CO I485 [1,1,0,0,0,0|1,0,0]=3 109 B5R0.3 O=C[C@H](O)CO I433 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.3 OC(CCl)CBr 7042AF [1,1,0,0,0,0|1,0,1]=4 111 B5R0.3 OC[C@@H](O)CF 1216AL [1,1,0,0,0,0|1,0,1]=4 112 B5R0.5 C=C(C)B(O)O X6995 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,0]=2 114 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,1]=4 115 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|0,0,2]=4 116 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|1,0,0]=3 117 B5R0.5 C[C@@H](O)C(=N)N X6061 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|2,0,0]=4 119 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|0,0,2]=4 120 B7R0.8 CCNCC(C)(C)O 9524AH [0,2,0,0,0,0|0,0,2]=4 121 B7R0.8 C[Si](C)(C)\C=C\CO X7191 [0,2,0,0,0,0|1,1,0]=4 122 B7R0.9 C=C(Br)C[Si](C)(C)C 4026AL [0,2,0,0,0,0|1,1,0]=4 123 B7R0.9 C=C(Br)C[Si](C)(C)C J90904 [0,2,0,0,0,0|1,1,0]=4 124 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.11 C=CCC(C)(C)CO 4084AB [0,2,0,0,0,0|0,0,0]=2 127 B7R0.11 C=C[Si](C)(C)OCC 3277AL [0,2,0,0,0,0|0,1,0]=3 128 B7R0.11 CC(O)(C#N)CC#N X4890 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.11 CCOC(C)(C)CC 9029AL [0,2,0,0,0,0|0,0,2]=4 130 B7R0.11 CNCC(C)(C)CO 8093AA [0,2,0,0,0,0|0,0,2]=4 131 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|0,0,2]=4 132 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|1,0,1]=4 133 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|0,0,2]=4 134 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|1,0,1]=4 135 B7R0.14 CC(C)(C)\C(N)=N\O 3237AE [0,2,0,0,0,0|2,0,0]=4 136 B7R0.14 CNC(=O)C(C)(C)N 0533AF [0,2,0,0,0,0|1,0,1]=4 137 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,2,0,0,0,0|0,0,2]=4 138 B7R0.13 CC(C)(C#N)C(=O)O 1332AB [0,2,0,0,0,0|1,0,1]=4 139 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,2,0,0,0,0|1,0,1]=4 140 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.13 CNC(C)(C)C(=O)O 5084AH [0,2,0,0,0,0|1,0,1]=4 142 B7R0.17 CC(C)(O)C(F)(F)F 4499AE [0,2,0,0,0,0|1,0,1]=4 143 B7R0.18 C#CC(O)(CC)CC 8060AJ [0,2,0,0,0,0|0,0,2]=4 144 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,1]=4 145 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 146 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,1]=4 147 B7R1.14 CC1(C)COC=N1 6315AL [0,1,0,1,0,0|1,0,0]=3 148 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,1,0,1,0,0|0,0,1]=3 149 B7R1.19 CC(=O)C1(F)CC1 7062AE [0,1,0,1,0,0|1,0,1]=4 150 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 152 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|2,0,0]=4 153 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|1,0,1]=4 154 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|1,0,1]=4 155 B7R1.25 NCC1(O)CCC1 HTS033072 [0,1,0,1,0,0|0,0,2]=4