0 B5R0.3 C=C(SC)SC 4356AL [0,0,0,0,0,0|0,2,2]=4 1 B5R0.3 CC(CN)CN 1710AB [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 CC(CN)CO 0163AC [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CCC(=S)OC R571 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CCC(C)CCl U282 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(C)NN 9798AD [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CCC(Cl)CCl 4449AL [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CCC(O)C#N 7246AF [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(O)CBr 4766AL [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CCC(S)CS 4441AL [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 CC[C@H](C)CCl 4194AL [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CNC(C)C#N V3698 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 COC(C)C#N 0627AE [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CO[SiH](C)OC I516 [0,0,0,0,0,0|0,1,0]=1 14 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 C\C=C(/C)CC 9220AL [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 C\C=C(\C)CC 7440AL [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|2,1,0]=4 23 B4R0.1 COP(Cl)Cl X7327 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|0,1,2]=4 25 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|0,1,0]=2 26 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|1,1,0]=3 27 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C#CCON 4433AJ [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CCCSC U677 [1,0,0,0,0,0|1,1,0]=3 35 B4R0.2 CCSCC E138 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,1,0]=4 38 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 40 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|1,0,0]=2 51 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|1,0,0]=2 55 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,0]=3 59 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|2,1,0]=4 65 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|1,1,0]=3 66 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|2,0,1]=4 67 B6R0.8 CCC(C)(N)CC 1117AE [0,1,0,0,0,0|2,0,0]=3 68 B6R0.8 CCC(C)(O)C#N 5636AB [0,1,0,0,0,0|3,0,0]=4 69 B6R0.8 COC(C)(C)ON 8694AL [0,1,0,0,0,0|1,0,0]=2 70 B6R0.8 CO[Si](C)(C)CCl 3205AL [0,1,0,0,0,0|2,1,0]=4 71 B6R0.9 CCC(CC)NC 7289AJ [0,1,0,0,0,0|2,0,0]=3 72 B6R0.9 CCC(CC)NN 1078AD [0,1,0,0,0,0|3,0,0]=4 73 B6R0.9 CCC(CN)OC 8133AC [0,1,0,0,0,0|1,0,0]=2 74 B6R0.9 CCC(CN)OC X2088 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.9 CCC(CO)OC 5682AL [0,1,0,0,0,0|1,0,0]=2 76 B6R0.9 CCC(OC)OC 8873AL [0,1,0,0,0,0|0,0,0]=1 77 B6R0.9 C\N=C(/NC)SC 1480AL [0,1,0,0,0,0|1,1,1]=4 78 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,1]=4 79 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|1,0,1]=3 80 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|1,1,0]=3 82 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|2,0,0]=3 85 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|0,0,0]=1 86 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|3,0,0]=4 88 B6R1.2 NC1=NCCO1 5489AL [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|2,0,1]=4 90 B6R1.6 CNC1CNC1 1896AB [0,0,0,1,0,0|3,0,0]=4 91 B6R1.6 COC1CNC1 Y5064 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.6 NCC1CCN1 0858AA [0,0,0,1,0,0|3,0,0]=4 93 B6R1.6 NCC1CCN1 6521AH [0,0,0,1,0,0|3,0,0]=4 94 B6R1.6 NCC1CCO1 V8594 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.6 NNC1CCC1 3961AJ [0,0,0,1,0,0|3,0,0]=4 96 B6R1.7 C[C@]1(CO)CO1 1288AL [0,0,0,1,0,0|2,0,0]=3 97 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 99 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 101 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 O=S(O)O 8693AF [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 O=S(O)O S352 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.2 O[Au](O)O 7031AH [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|1,0,1]=4 106 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 107 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|1,0,1]=4 108 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|0,0,1]=3 109 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|1,0,0]=3 110 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,0,0]=3 113 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|0,0,0]=2 115 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|0,1,0]=3 116 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|1,0,0]=3 117 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,0,0]=2 118 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|2,0,0]=4 119 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,0]=3 120 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|2,0,0]=4 121 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|2,0,0]=4 122 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|0,2,0]=4 123 B5R0.4 C[Si](C)(C)ON 1405AB [1,1,0,0,0,0|1,1,0]=4 124 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|2,0,0]=4 126 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|2,0,0]=4 127 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|1,0,0]=3 128 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 129 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|2,0,0]=4 130 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|1,0,1]=4 131 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|1,0,0]=3 132 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|2,0,0]=4 133 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|1,0,0]=3 134 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,0]=3 135 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|1,1,0]=4 136 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|2,0,0]=4 137 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,0]=3 138 B5R0.2 COCN=C=S 6701AD [1,1,0,0,0,0|1,0,1]=4 139 B5R0.2 ClCCOCCl 7247AA [1,1,0,0,0,0|2,0,0]=4 140 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|2,0,0]=4 142 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,1]=4 143 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|2,0,0]=4 144 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,1]=4 145 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|2,0,0]=4 146 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|2,0,0]=4 147 B7R0.3 CC[C@H](C)CCCO 4203AL [0,2,0,0,0,0|2,0,0]=4 148 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.3 CO\C=C\C(=O)OC W5649 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|2,0,0]=4 151 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 152 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|2,0,0]=4 153 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|2,0,0]=4 154 B7R0.7 CCOS(=O)OCC 7113AF [0,2,0,0,0,0|2,0,0]=4 155 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|2,0,0]=4 156 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|2,0,0]=4 157 B7R0.10 CNC(=O)C(C)NC 7051AE [0,2,0,0,0,0|2,0,0]=4 158 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|1,0,0]=3 159 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|2,0,0]=4 160 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|1,0,1]=4 161 B7R0.11 CCOC(C)(C)CC 9029AL [0,2,0,0,0,0|1,0,0]=3 162 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|1,0,0]=3 163 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|2,0,0]=4 164 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.12 CCNC(CC)CC 2358AE [0,2,0,0,0,0|2,0,0]=4 166 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,2,0,0,0,0|2,0,0]=4 167 B7R0.12 COC(=CC#N)OC R092 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.12 COC(CC#N)OC 8500AB [0,2,0,0,0,0|0,0,0]=2 169 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|0,0,0]=2 170 B7R0.13 COC(C)(C)C(C)=O X6059 [0,2,0,0,0,0|1,0,0]=3 171 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 172 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|1,0,1]=4 173 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|0,0,0]=2 174 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|2,0,0]=4 175 B7R0.18 CCC(O)(CC)CC 6047AL [0,2,0,0,0,0|2,0,0]=4 176 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|2,0,0]=4 177 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 178 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|2,0,0]=4 179 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|2,0,0]=4 180 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 181 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|1,0,0]=3 182 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,1,0]=3 183 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|2,0,0]=4 184 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|0,2,0]=4 185 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|2,0,0]=4 186 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|2,0,0]=4 187 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|2,0,0]=4 188 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|2,0,0]=4 189 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|2,0,0]=4 190 B7R1.1 CNC1CCNC1 2827AC [0,1,0,1,0,0|2,0,0]=4 191 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|1,0,0]=3 194 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|1,0,0]=3 195 B7R1.1 COC1=NCCN1 2725AB [0,1,0,1,0,0|1,0,1]=4 196 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|2,0,0]=4 197 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,1,0,0|2,0,0]=4 198 B7R1.1 N#CC1CCCO1 7250AA [0,1,0,1,0,0|1,0,1]=4 199 B7R1.1 N#CC1CCOC1 X2033 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|2,0,0]=4 201 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,1,0,0|2,0,0]=4 202 B7R1.1 NCC1OCCO1 6055AB [0,1,0,1,0,0|0,0,0]=2 203 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|2,0,0]=4 205 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|2,0,0]=4 206 B7R1.2 CC1CCC(C)O1 Z5431 [0,1,0,1,0,0|1,0,0]=3 207 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|2,0,0]=4 208 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|2,0,0]=4 209 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|2,0,0]=4 210 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|1,0,0]=3 211 B7R1.3 CC1CNCCO1 8808AB [0,1,0,1,0,0|1,0,0]=3 212 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.3 NC1CCCOC1 0386AC [0,1,0,1,0,0|2,0,0]=4 214 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|2,0,0]=4 215 B7R1.6 CCOC1CNC1 4280AC [0,1,0,1,0,0|2,0,0]=4 216 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|2,0,0]=4 217 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|2,0,0]=4 218 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|2,0,0]=4 219 B7R1.25 CC1(CN)COC1 5827AA [0,1,0,1,0,0|2,0,0]=4 220 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|2,0,0]=4 221 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|2,0,0]=4 222 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|2,0,0]=4