0 B5R0.5 C=C(Br)C(N)=O 0896AC [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C=C(C)B(O)O X6995 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 C=C(C)C(C)C 5230AL [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,0,0,0,0,0|2,0,2]=4 4 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(=O)C(=O)[O-] 7018AF [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 CC(=O)C(C)F 0085AF [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(=S)N(C)C 3685AL [0,0,0,0,0,0|2,1,0]=3 8 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,0,0,0,0,0|3,0,1]=4 9 B5R0.5 CC(N)C(C)O 7117AF [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 CC(O)C(=N)N 2094AL [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(O)C(=O)O Y1768 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CN(C)C(=N)N 3681AL [0,0,0,0,0,0|4,0,0]=4 13 B5R0.5 CN(C)C(N)=S 8335AE [0,0,0,0,0,0|3,1,0]=4 14 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 NC(=O)C(F)Br 3265AE [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 NC(=O)C(F)I 3275AE [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 O=C(O)C(=O)O 7001AF [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,0,0,0,0,0|3,0,0]=3 19 B5R0.5 O=C(O)C(F)Br 8446AJ [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 O=C(O)C(F)Cl 4068AE [0,0,0,0,0,0|3,0,0]=3 21 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,0,0,0,0,0|2,0,2]=4 22 B5R0.5 O=C([O-])C(F)Br 8443AE [0,0,0,0,0,0|3,0,0]=3 23 B5R0.5 O=C([O-])C(F)Cl 8442AE [0,0,0,0,0,0|3,0,0]=3 24 B5R0.5 O=C([O-])C(F)I 0009AD [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|0,2,1]=4 33 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 CSC(=N)N 4399AD [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,0,0]=2 47 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|3,0,0]=4 48 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|1,0,2]=4 49 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|1,1,0]=3 51 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|0,1,0]=2 53 B6R0.3 CCC(Br)C(N)=O 5224AE [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|0,1,0]=2 58 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|2,0,0]=3 59 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|2,0,0]=3 60 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CNC(=O)C(C)Br 9099AE [0,1,0,0,0,0|1,0,0]=2 64 B6R0.3 CNC(=O)C(C)N V5134 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,1,0,0,0,0|2,0,0]=3 66 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,1,0]=3 69 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|0,1,0]=2 70 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|1,0,1]=3 72 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|2,0,0]=3 74 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 NC(=O)\C(N)=N\O 6631AD [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 O=C(CBr)C(Br)Br E800 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|1,0,0]=2 84 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|1,0,0]=2 85 B6R0.7 C=C(C)C(F)(F)F 1867AE [0,1,0,0,0,0|3,0,0]=4 86 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.7 CC(=O)C(C)(C)O X0229 [0,1,0,0,0,0|0,0,0]=1 88 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,1,0,0,0,0|2,0,1]=4 89 B6R0.7 CC(C)(C)S(=O)Cl 0001AE [0,1,0,0,0,0|3,0,0]=4 90 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,1,0,0,0,0|2,0,0]=3 91 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,1,0,0,0,0|2,0,0]=3 92 B6R0.7 CC(C)C(C)(C)C 5081AL [0,1,0,0,0,0|2,0,1]=4 93 B6R0.7 CC(C)C(C)(C)N Y5738 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.7 CC(C)S(=O)(=O)[O-] 7069AF [0,1,0,0,0,0|3,0,0]=4 95 B6R0.7 CC(C)S(C)(=O)=O 8108AL [0,1,0,0,0,0|2,0,0]=3 96 B6R0.7 CC(C)[Si](C)(C)Cl 8728AJ [0,1,0,0,0,0|2,1,0]=4 97 B6R0.7 CC(N)P(=O)(O)O 9663AJ [0,1,0,0,0,0|3,0,0]=4 98 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,1,0,0,0,0|2,0,1]=4 99 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|0,0,0]=1 100 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|2,0,0]=3 101 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,0,0,0,0,1|1,0,2]=4 102 B6R0.2 CC(=O)SC(C)=O 7216AF [0,0,0,0,0,1|0,0,2]=3 103 B6R0.2 CC(C)=CB(O)O X0525 [0,0,0,0,0,1|3,0,0]=4 104 B6R0.2 CC(C)=NN(C)C 6998AL [0,0,0,0,0,1|3,0,0]=4 105 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,0,0,0,1|2,0,1]=4 106 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,0,1|2,0,1]=4 107 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,0,0,0,0,1|2,0,0]=3 108 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,0,0,0,0,1|3,0,0]=4 109 B6R0.2 CN(C)NC(N)=O 4373AL [0,0,0,0,0,1|3,0,0]=4 110 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,0,0,0,0,1|2,0,0]=3 111 B6R0.2 NC(=O)CC(=O)O 1571AB [0,0,0,0,0,1|2,0,1]=4 112 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 114 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,0]=3 115 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|0,0,1]=3 116 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|0,0,1]=3 117 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|0,0,1]=3 118 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 119 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 120 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|2,0,0]=4 121 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,0]=3 122 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|1,0,0]=3 123 B3R0.2 O=S(O)O 8693AF [2,0,0,0,0,0|2,0,0]=4 124 B3R0.2 O=S(O)O S352 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|0,0,2]=4 126 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|1,0,0]=3 127 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|1,0,1]=4 128 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 129 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,0,1]=3 130 B5R0.1 C=CCC(N)=O Y1568 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|1,0,1]=4 132 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|1,0,1]=4 135 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|0,0,2]=4 136 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,0]=3 137 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|1,0,1]=4 138 B5R0.1 CCSC(=N)N 2034AH [1,1,0,0,0,0|2,0,0]=4 139 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,0,0]=2 141 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 COCC(=N)N 1769AJ [1,1,0,0,0,0|2,0,0]=4 143 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,0,1]=3 144 B5R0.1 CSCC(=N)N 1816AJ [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 C\C(Cl)=C\CN 9653AD [1,1,0,0,0,0|1,0,1]=4 147 B5R0.1 C\C(Cl)=C\CO X6578 [1,1,0,0,0,0|1,0,0]=3 148 B5R0.1 C\C=C\B(O)O X4905 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 C\C=C\C(N)=O 7909AD [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 N#CCC(=O)[O-] 7007AF [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|1,0,0]=3 154 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|2,0,0]=4 155 B5R0.3 C=C[C@H](O)CO 1303AL [1,1,0,0,0,0|0,0,1]=3 156 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|1,0,1]=4 157 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,0]=2 158 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 159 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 160 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|0,0,2]=4 164 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,0,1]=3 165 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,1,1]=4 166 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 CNC(=O)CN X2965 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 169 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 CO[SiH](C)OC I516 [1,1,0,0,0,0|1,1,0]=4 172 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 173 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,0]=3 174 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,0]=3 175 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,0]=3 176 B5R0.3 N\C(CCl)=N/O 0296AE [1,1,0,0,0,0|2,0,0]=4 177 B5R0.3 N\C(CO)=N\O 9010AE [1,1,0,0,0,0|1,0,1]=4 178 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,1]=4 179 B5R0.4 CCS(=O)(=O)F 0529AQ [1,1,0,0,0,0|2,0,0]=4 180 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,1|2,0,0]=4 181 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,1,0,0,0,1|2,0,0]=4 182 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,1,0,0,0,1|1,0,0]=3 183 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,1,0,0,0,1|0,0,1]=3 184 B7R0.2 CC(CO)CN(C)C 0615AE [0,1,0,0,0,1|2,0,0]=4 185 B7R0.2 CC(O)CC(=O)NN 8247AD [0,1,0,0,0,1|1,0,0]=3 186 B7R0.2 CCC(N)CC(=O)O 2363AL [0,1,0,0,0,1|2,0,0]=4 187 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,1|2,0,0]=4 188 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,1,0,0,0,1|2,0,0]=4 189 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,1,0,0,0,1|2,0,0]=4 190 B7R0.2 CN(C)CC(O)CCl 4719AE [0,1,0,0,0,1|2,0,0]=4 191 B7R0.2 CN(C)CC(O)CN V6256 [0,1,0,0,0,1|2,0,0]=4 192 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,1,0,0,0,1|1,0,1]=4 193 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,1|1,0,1]=4 194 B7R0.2 COC(C)CC(=O)O 0132AA [0,1,0,0,0,1|1,0,0]=3 195 B7R0.2 NCC(N)CC(=O)O 5843AA [0,1,0,0,0,1|2,0,0]=4 196 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,1,0,0,0,1|1,0,0]=3 197 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,1,0,0,0,1|2,0,0]=4 198 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,1,0,0,0,1|0,0,2]=4 199 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,1,0,0,0,1|2,0,0]=4 200 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,1,0,0,0,1|2,0,0]=4 201 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|2,0,0]=4 202 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 203 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,0]=3 204 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.5 CCNC(=O)C(C)Cl 7969AE [0,2,0,0,0,0|1,0,0]=3 206 B7R0.5 CCNC(=O)C(C)N 8428AC [0,2,0,0,0,0|1,0,0]=3 207 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|2,0,0]=4 208 B7R0.5 CCOC(=N)C(C)C 8345AC [0,2,0,0,0,0|2,0,0]=4 209 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|1,1,0]=4 210 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,2,0,0,0,0|2,0,0]=4 211 B7R0.5 CN(C)C(=O)CCN X4955 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.5 CNCC(=O)N(C)C 6232AD [0,2,0,0,0,0|2,0,0]=4 213 B7R0.5 CNCC(=O)N(C)C V7158 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|1,0,1]=4 216 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|2,0,0]=4 218 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|2,0,0]=4 221 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|0,0,0]=2 224 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,2,0,0,0,0|2,0,0]=4 225 B7R0.10 CNC(=O)C(C)NC 7051AE [0,2,0,0,0,0|1,0,0]=3 226 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|1,0,0]=3 227 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 228 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,2,0,0,0,0|1,0,0]=3 229 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|1,0,0]=3 230 B7R0.10 COC(=O)C(N)CCl W5534 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|0,0,0]=2 232 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,2,0,0,0,0|1,0,1]=4 233 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,0]=3 234 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|1,0,1]=4 235 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|0,0,2]=4 236 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|0,0,2]=4 237 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|0,0,2]=4 238 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.13 CC(C)(C#N)C(N)=O 1674AC [0,2,0,0,0,0|2,0,0]=4 240 B7R0.13 CC(C)(CN)C(=O)O 9909AA [0,2,0,0,0,0|2,0,0]=4 241 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.13 COC(C)(C)C(C)=O X6059 [0,2,0,0,0,0|0,0,0]=2 243 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,2,0,0,0,0|2,0,0]=4 244 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|1,0,0]=3 245 B7R0.14 CNC(=O)C(C)(C)N 0533AF [0,2,0,0,0,0|1,0,0]=3 246 B7R0.14 C\C(=N/O)C(C)(C)O 6059AL [0,2,0,0,0,0|0,0,1]=3 247 B7R0.14 O=S(=O)([O-])C(O)CCl 7352AL [0,2,0,0,0,0|2,0,0]=4 248 B7R0.14 O=S(=O)([O-])C(O)CCl 7353AL [0,2,0,0,0,0|2,0,0]=4 249 B7R0.15 CC(=O)\C(C#N)=N\O 0690AC [0,2,0,0,0,0|0,0,2]=4 250 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|1,0,0]=3 251 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|1,0,0]=3 252 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|0,0,2]=4 253 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|1,0,0]=3 254 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|0,1,1]=4 255 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|2,0,0]=4 256 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|1,0,1]=4 257 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|0,0,2]=4 258 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|2,0,0]=4 259 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 CC1=COC(C)=N1 5323AL [0,0,0,1,0,1|1,0,1]=4 261 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,1|2,0,0]=4 262 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,1|2,0,0]=4 263 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,0,0,1,0,1|1,0,1]=4 264 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,1,0,1|1,0,1]=4 265 B7R1.2 NC1=NC(=O)CO1 9344AA [0,0,0,1,0,1|1,0,1]=4 266 B7R1.2 NC1CCC(O)C1 6561AA [0,0,0,1,0,1|1,0,1]=4 267 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,1,0,1|2,0,0]=4 268 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,0,0,1,0,1|1,0,1]=4 269 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,1|0,0,1]=3 270 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,1|1,0,0]=3 271 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,1|0,0,0]=2 272 B7R1.2 O=C1CNC(S)S1 5679AL [0,0,0,1,0,1|1,1,0]=4 273 B7R1.4 CC1=C(C)OC=N1 X5138 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|1,0,1]=4 275 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,1,0,0|2,0,0]=4 276 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|1,0,1]=4 277 B7R1.4 NC1COCC1O 7148AA [0,1,0,1,0,0|1,0,1]=4 278 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|1,0,1]=4 279 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,1,0,0|2,0,0]=4 280 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|1,0,1]=4 281 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,1,0,0|1,0,1]=4 282 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|1,0,0]=3 283 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|1,0,1]=4 284 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,1]=4 285 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|0,0,0]=2 287 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|0,0,2]=4 288 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|2,0,0]=4 290 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.18 NC(=O)C1CNC1 1496AC [0,1,0,1,0,0|2,0,0]=4 292 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|2,0,0]=4 294 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,0,0]=3 295 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.26 CC(C)(O)C1CC1 Y4733 [0,1,0,1,0,0|1,0,1]=4 297 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,0,2|2,0,0]=4 298 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,0,2|2,0,0]=4 299 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,0,0,0,0,2|1,0,1]=4 300 B7R0.6 CC(=O)NNC(C)C 6165AB [0,0,0,0,0,2|1,0,0]=3 301 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,0,0,0,0,2|1,0,1]=4 302 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,0,0,0,2|1,0,0]=3 303 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,0,0,0,0,2|0,0,2]=4