0 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 C=CCC(C)C 6595AL [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=COC(C)C 3476AL [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CCSC(=N)N 2034AH [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|1,1,2]=4 14 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|1,1,0]=2 16 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 C\C=C\C(N)=O 7909AD [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 NC(=O)CCO 8063AJ [0,0,0,0,0,0|2,1,1]=4 19 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 O=C(O)\C=C\I V7047 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,2]=3 25 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|0,0,2]=3 26 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CSC(=N)N 4399AD [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|2,1,0]=4 36 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|2,1,0]=4 39 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 C=C=CCO 0432AQ [1,0,0,0,0,0|0,1,2]=4 42 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|1,1,1]=4 43 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,1,1]=4 52 B6R0.1 CC(\C=N\O)=N/O P687 [0,1,0,0,0,0|2,1,0]=4 53 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,2]=4 56 B6R0.1 CCNC(=O)CBr 5060AE [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CCNC(=O)CN 8793AD [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CCSC(=O)CC 8960AL [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|0,1,2]=4 65 B6R0.1 CNC(=O)CCCl 2983AE [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|1,1,1]=4 67 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|0,1,2]=4 68 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC(=O)\C=C/Br 6846AE [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 COC(=O)\C=C/I 6847AE [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CC(C)=CB(O)O X0525 [0,1,0,0,0,0|1,1,0]=3 73 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|3,0,0]=4 74 B6R0.2 CC(C)CC(C)Br 3157AB [0,1,0,0,0,0|1,0,2]=4 75 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|3,0,0]=4 77 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,1,1]=4 78 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|0,1,2]=4 79 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|3,0,0]=4 88 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|1,0,2]=4 89 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,2]=4 90 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 CC(=O)CCCBr W5938 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|3,0,0]=4 95 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|1,0,2]=4 97 B6R0.4 CC(C)NCC#N Y7768 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 CC(C)SCCCl 3252AE [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|1,0,0]=2 101 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CC\C=C\C(=O)O 6805AA [0,1,0,0,0,0|3,0,0]=4 103 B6R0.4 CSCCC(=O)Cl 6126AL [0,1,0,0,0,0|2,0,1]=4 104 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|1,0,2]=4 105 B6R0.4 FC(F)=CCCBr 4541AD [0,1,0,0,0,0|3,0,0]=4 106 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|1,0,2]=4 107 B6R0.5 C[N+](C)(C)CCO 2907AC [0,1,0,0,0,0|1,1,1]=4 108 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,0]=2 109 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 CC1=CNN=N1 W5081 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 CC1=CON=C1 9884AB [0,0,0,1,0,0|1,1,1]=4 112 B6R1.2 CC1=CSN=N1 Y8051 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,1,0,0|1,1,1]=4 115 B6R1.2 CC1=NON=C1 W4957 [0,0,0,1,0,0|2,1,0]=4 116 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,1]=4 118 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|1,0,2]=4 119 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|0,1,2]=4 120 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|1,1,1]=4 121 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|2,0,1]=4 122 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 NC1=CSN=C1 W7611 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,1,0,0|1,0,2]=4 125 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,0,2]=4 126 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|1,0,2]=4 127 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,1]=4 128 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,1]=4 129 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|1,0,2]=4 130 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|2,0,1]=4 131 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|1,1,1]=4 132 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|1,1,1]=4 133 B3R0.1 Br\C=C\Br 6810AF [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,0]=3 136 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,1,0]=4 137 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,1,0]=4 138 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,1,0]=4 139 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,1,0]=4 140 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 141 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,1,0]=4 142 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,1,0]=4 144 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|0,1,1]=4 147 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,1]=4 152 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|0,0,2]=4 153 B5R0.3 CNC(=O)CN X2965 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.3 CO[SiH](C)OC I516 [1,1,0,0,0,0|1,1,0]=4 155 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|0,1,1]=4 156 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,0]=2 157 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,0]=2 158 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,0]=2 159 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [1,1,0,0,0,0|0,1,1]=4 160 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 161 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 162 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,1,0]=4 163 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,1,0,0,0,0|1,1,0]=4 164 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,1]=4 165 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|1,0,0]=3 166 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|2,0,0]=4 167 B5R0.5 CN(C)C(N)=S 8335AE [1,1,0,0,0,0|1,0,1]=4 168 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,0]=3 169 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 170 B5R0.2 NC\C=C/CCl 3552AH [1,1,0,0,0,0|1,0,0]=3 171 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.2 NOC\C=C\Cl 6798AC [1,1,0,0,0,0|1,1,0]=4 173 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|0,1,1]=4 174 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,0]=3 175 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,1]=4 177 B7R0.5 CCOC(=N)C(C)C 8345AC [0,2,0,0,0,0|1,0,1]=4 178 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,2,0,0,0,0|2,0,0]=4 179 B7R0.5 CN(C)C(=O)CCN X4955 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 CNCC(=O)N(C)C 6232AD [0,2,0,0,0,0|2,0,0]=4 181 B7R0.5 CNCC(=O)N(C)C V7158 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,2,0,0,0,0|2,0,0]=4 185 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|2,0,0]=4 186 B7R0.12 COC(=CC#N)OC R092 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.16 CC(C)=C(C)B(O)O X2548 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [0,2,0,0,0,0|2,0,0]=4 189 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|1,0,1]=4 190 B7R0.15 CC(C)=C(C#N)C#N X0008 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.4 CC(C)=C=CCCO 0509AQ [0,2,0,0,0,0|0,1,0]=3 192 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,2,0,0,0,0|2,0,0]=4 193 B7R0.8 C[Si](C)(C)\C=C\CO X7191 [0,2,0,0,0,0|0,2,0]=4 194 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,2]=4 195 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|1,0,1]=4 196 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,0,1]=4 197 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,1]=4 198 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|1,0,1]=4 199 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,0,1]=3 200 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,1,0,0|1,0,1]=4 201 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|1,0,1]=4 202 B7R1.1 NCC1=CSC=C1 Z3907 [0,1,0,1,0,0|0,0,2]=4 203 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|0,0,1]=3 204 B7R1.2 CC1=CSC(N)=C1 5740AC [0,1,0,1,0,0|0,0,2]=4 205 B7R1.2 CC1=NSC(N)=C1 1797AB [0,1,0,1,0,0|1,0,1]=4 206 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|2,0,0]=4 207 B7R1.3 BrC1=CCCCC1 Z0360 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.3 BrC1=CCOCC1 V4625 [0,1,0,1,0,0|1,1,0]=4 209 B7R1.3 BrC1=CCSCC1 Z8895 [0,1,0,1,0,0|1,0,0]=3 210 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|1,0,0]=3 211 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 212 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|1,1,0]=4 213 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|0,1,1]=4 214 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,1,0,0|2,0,0]=4 215 B7R1.4 CN1SC=CC1=O P432 [0,1,0,1,0,0|1,0,1]=4 216 B7R1.6 O=CC=C1COC1 5578AC [0,1,0,1,0,0|0,1,1]=4