0 B6R0.3 CCC(=O)C(C)Br 5539AL [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CCC(=O)C(C)S 5675AL [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CCC(C)C(C)=O U423 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CCC(S)C(C)=O 9471AJ [0,0,0,0,0,0|2,1,1]=4 4 B6R0.3 CN(C)C(=O)CN W4015 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CNC(=O)C(C)Br 9099AE [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CNC(=O)C(C)N V5134 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 CSC(C)C(C)=O 6125AL [0,0,0,0,0,0|2,1,1]=4 10 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 NNC(=O)C(N)=O 4727AE [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(C)CON 4430AJ [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CC(C)=CCCl 7671AJ [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 COC[C@H](C)O W4988 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 C\C(Cl)=C\CN 9653AD [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 C\C(Cl)=C\CO X6578 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 C=C(SC)SC 4356AL [1,0,0,0,0,0|2,1,0]=4 25 B5R0.3 CCC(=O)CN X8894 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 CCC(=O)CO X5132 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CCC(=S)OC R571 [1,0,0,0,0,0|0,1,1]=3 28 B5R0.3 CNC(=O)CN X2965 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 CNC(=O)NN 9285AA [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CO[SiH](C)OC I516 [1,0,0,0,0,0|2,1,0]=4 31 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 C=C(Br)C(N)=O 0896AC [1,0,0,0,0,0|2,0,0]=3 35 B5R0.5 C=C(C)B(O)O X6995 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.5 C=C(C)C(C)C 5230AL [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C=C(F)C(=O)[O-] 0621AP [1,0,0,0,0,0|1,0,1]=3 38 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,0,0,0,0,0|1,0,1]=3 39 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,0,0,0,0,0|1,0,1]=3 40 B5R0.5 CC(=O)C(C)F 0085AF [1,0,0,0,0,0|1,0,1]=3 41 B5R0.5 CC(=S)N(C)C 3685AL [1,0,0,0,0,0|1,1,1]=4 42 B5R0.5 CC(O)C(=O)O Y1768 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,0,0,0,0,0|2,0,1]=4 44 B5R0.5 O=C(O)C(=O)O 7001AF [1,0,0,0,0,0|2,0,0]=3 45 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,0,0,0,0,0|2,0,1]=4 46 B5R0.5 O=C(O)C(F)Br 8446AJ [1,0,0,0,0,0|2,0,1]=4 47 B5R0.5 O=C(O)C(F)Cl 4068AE [1,0,0,0,0,0|2,0,1]=4 48 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCCC(=O)C(C)C 5712AL [0,1,0,0,0,0|1,0,2]=4 50 B7R0.5 CCNC(=O)C(C)Cl 7969AE [0,1,0,0,0,0|2,0,1]=4 51 B7R0.5 CCNC(=O)C(C)N 8428AC [0,1,0,0,0,0|2,0,1]=4 52 B7R0.5 CCOC(=N)C(C)C 8345AC [0,1,0,0,0,0|1,0,2]=4 53 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,1,0,0,0,0|2,0,1]=4 54 B7R0.5 CN(C)C(=O)CCN X4955 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.5 CNCC(=O)N(C)C 6232AD [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 CNCC(=O)N(C)C V7158 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.10 CCC(=O)C(O)CC 8871AL [0,1,0,0,0,0|2,0,1]=4 60 B7R0.10 CNC(=O)C(C)NC 7051AE [0,1,0,0,0,0|1,0,2]=4 61 B7R0.10 CNC(=S)C(=S)NC 1000AD [0,1,0,0,0,0|2,1,0]=4 62 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,1,0,0,0,0|0,0,2]=3 63 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|1,0,1]=3 64 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,1,0,0,0,0|1,0,1]=3 65 B7R0.10 COC(=O)C(F)CO 0323AC [0,1,0,0,0,0|1,0,1]=3 66 B7R0.10 COC(=O)C(N)CCl W5534 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.10 COC(=O)C(O)CN 7006AJ [0,1,0,0,0,0|1,0,1]=3 68 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,1,0,0,0,0|0,0,0]=1 69 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,1,0,0,0,0|0,0,0]=1 70 B7R0.13 COC(C)(C)C(C)=O X6059 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.14 CNC(=O)C(C)(C)N 0533AF [0,1,0,0,0,0|1,0,2]=4 72 B7R0.16 C=C(C)C(=O)N(C)C 8445AL [0,1,0,0,0,0|1,0,0]=2 73 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,1,0,0,0,0|3,0,0]=4 74 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [0,1,0,0,0,0|2,0,1]=4 75 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,0,0,1,0,0|2,0,1]=4 76 B7R1.4 CC1=C(C)OC=N1 X5138 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.4 CC1=C(N)ON=C1 4334AB [0,0,0,1,0,0|2,0,0]=3 78 B7R1.4 CC1=CCOC1=O 7576AD [0,0,0,1,0,0|0,0,0]=1 79 B7R1.4 CC1=CNC=C1C 2295AL [0,0,0,1,0,0|3,0,0]=4 80 B7R1.4 CC1=CNN=C1N 9912AB [0,0,0,1,0,0|3,0,0]=4 81 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 NN1CCCC1=O 0452AB [0,0,0,1,0,0|3,0,0]=4 83 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,0,0,1,0,0|2,0,1]=4 84 B7R1.4 O=C1CCC=C1Br 8037AC [0,0,0,1,0,0|2,0,0]=3 85 B7R1.4 O=C1CCCC1Cl W7923 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.4 O=C1NCC[C@H]1O W8410 [0,0,0,1,0,0|2,0,1]=4 87 B7R0.2 C=C(C)CC(C)CC 5312AL [0,0,0,0,0,1|2,0,1]=4 88 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,0,0,0,0,1|3,0,0]=4 89 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,0,0,0,0,1|3,0,0]=4 90 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,0,0,0,0,1|3,0,0]=4 91 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,0,0,0,0,1|2,0,0]=3 92 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 C=CC(C)C 7308AF [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 CC(=O)NBr 6848AF [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|0,1,0]=3 98 B4R0.1 C\C(N)=N/O 5291AE [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|0,0,2]=4 103 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,0]=3 104 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|1,0,1]=4 105 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|1,0,1]=4 106 B6R0.8 C=CS(=O)(=O)NC 2577AB [1,1,0,0,0,0|2,0,0]=4 107 B6R0.7 CC(=O)C(C)(C)Br Y1567 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.7 CC(=O)C(C)(C)O X0229 [1,1,0,0,0,0|0,0,2]=4 109 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [1,1,0,0,0,0|0,0,2]=4 110 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,1,0,0,0,1|0,0,1]=3 111 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,1,0,0,0,1|2,0,0]=4 112 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,1,0,0,0,1|1,0,0]=3 113 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,1,0,0,0,1|1,0,1]=4 114 B8R0.5 CCOC(=O)NC(N)=O 7871AL [0,1,0,0,0,1|2,0,0]=4 115 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,1,0,0,0,1|1,0,1]=4 116 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,1,0,0,0,1|1,0,1]=4 117 B8R0.19 COC(=O)\C=C(/C)OC 3885AE [0,1,0,0,0,1|0,0,1]=3 118 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,2,0,0,0,0|0,0,0]=2 119 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,2,0,0,0,0|0,0,0]=2 120 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [0,2,0,0,0,0|1,0,1]=4 121 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [0,2,0,0,0,0|1,0,1]=4 122 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,2,0,0,0,0|0,0,2]=4 123 B8R0.3 COC(=O)[C@H](C)N=C=O 9545AD [0,2,0,0,0,0|0,0,2]=4 124 B8R0.3 COC(=O)[C@H](C)N=C=S 8737AD [0,2,0,0,0,0|0,0,2]=4 125 B8R0.3 COCC(Br)C(=O)OC V4873 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [0,2,0,0,0,0|1,0,1]=4 127 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,2,0,0,0,0|2,0,0]=4 128 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,2,0,0,0,0|1,0,1]=4 129 B8R0.13 COC(=O)C(C)(Br)CBr 1735AE [0,2,0,0,0,0|0,0,2]=4 130 B8R0.13 COC(=O)C(C)(C)CN 2027AB [0,2,0,0,0,0|0,0,2]=4 131 B8R0.20 COC(=O)C(CN)CN Z4762 [0,2,0,0,0,0|0,0,2]=4 132 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|1,0,1]=4 133 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|2,0,0]=4 134 B6R1.2 CC1=CON=C1 9884AB [1,0,0,1,0,0|1,0,0]=3 135 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.2 CC1=NON=C1 W4957 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|2,0,0]=4 138 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|1,0,1]=4 139 B8R1.1 CNC1=NC(C)=CS1 V4374 [0,0,0,1,0,1|1,1,0]=4 140 B8R1.1 COC1=NC=C(Br)S1 Y9132 [0,0,0,1,0,1|2,0,0]=4 141 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,0,0,1,0,1|0,2,0]=4 142 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,0,0,1,0,1|0,2,0]=4 143 B8R1.4 CC1=CC(=O)NC=C1 X3603 [0,0,0,1,0,1|1,0,1]=4 144 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,1,0,1|2,0,0]=4 145 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,1,0,1|2,0,0]=4 146 B8R1.18 CC1CC(=O)NC1=O 2461AL [0,0,0,1,0,1|2,0,0]=4 147 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,1|0,0,2]=4 148 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|2,0,0]=4 150 B8R1.5 O=C1NCCNC1=O 3615AD [0,1,0,1,0,0|2,0,0]=4 151 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,1,0,1,0,0|1,0,1]=4 152 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,1,0,1,0,0|0,0,1]=3 153 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,1,0,1,0,0|1,0,1]=4 154 B8R1.11 CC1=C(C=O)SN=C1 4154AC [0,1,0,1,0,0|1,1,0]=4 155 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,1,0,1,0,0|1,0,1]=4 156 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,1,0,0|0,0,2]=4 157 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,1,0,0|0,0,2]=4 158 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.39 COC(=O)C1(C)CO1 1431AQ [0,1,0,1,0,0|0,0,2]=4 160 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|2,0,0]=4 161 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,0]=3 162 B8R1.50 CC1=CSC(C)=C1Br 2426AC [0,1,0,1,0,0|2,0,0]=4 163 B8R1.50 CC1=NOC(=O)C1C W3412 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.50 CN1C(=O)CNC1=O 0568AC [0,1,0,1,0,0|2,0,0]=4 165 B8R1.50 CN1C(=O)COC1=O 4361AD [0,1,0,1,0,0|1,0,0]=3 166 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,1,0,1,0,0|1,0,0]=3 167 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,0,0,0,0,2|2,0,0]=4 168 B8R0.9 CCC(=O)COC(C)=O X5648 [0,0,0,0,0,2|2,0,0]=4 169 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,0,0,0,0,2|1,0,0]=3