0 B5R0.3 C=C(SC)SC 4356AL [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)CN X8894 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(=O)CO X5132 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 CCC(=S)OC R571 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(C)CCl U282 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 CCC(C)NN 9798AD [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CC[C@H](C)CCl 4194AL [0,0,0,0,0,0|1,0,3]=4 7 B5R0.3 CNC(=O)CN X2965 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CNC(=O)NN 9285AA [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CNC(C)C#N V3698 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 COC(C)C#N 0627AE [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CO[SiH](C)OC I516 [0,0,0,0,0,0|3,1,0]=4 12 B5R0.3 C\C(C=O)=C/N 3293AB [0,0,0,0,0,0|1,0,0]=1 13 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 C\C=C(/C)CC 9220AL [0,0,0,0,0,0|1,0,1]=2 15 B5R0.3 C\C=C(\C)CC 7440AL [0,0,0,0,0,0|1,0,1]=2 16 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CSC(=N)N 4399AD [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,0]=2 36 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CC(\C=N\O)=N/O P687 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 COC(=O)\C=C/Br 6846AE [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 COC(=O)\C=C/I 6847AE [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|3,0,0]=4 41 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|1,0,2]=4 42 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.3 CCC(Br)C(N)=O 5224AE [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,0,2]=4 47 B6R0.3 CCN(C)C(=N)N 8784AC [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|0,0,2]=3 49 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|0,0,2]=3 50 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|1,0,2]=4 51 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|1,0,1]=3 55 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|1,0,2]=4 56 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|0,0,0]=1 57 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|0,0,0]=1 58 B6R0.3 NC(=O)\C(N)=N\O 6631AD [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 NNC(=O)C(N)=O 4727AE [0,1,0,0,0,0|3,0,0]=4 60 B6R0.8 C=C[Si](C)(C)C=C 1189AA [0,1,0,0,0,0|1,1,1]=4 61 B6R0.9 C\N=C(/NC)SC 1480AL [0,1,0,0,0,0|3,0,0]=4 62 B6R0.9 O=CC(C=O)C=O 1725AJ [0,1,0,0,0,0|1,0,2]=4 63 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,1]=3 64 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,0]=3 65 B6R1.2 CC1=CNN=N1 W5081 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.2 CC1=CON=C1 9884AB [0,0,0,1,0,0|1,0,1]=3 67 B6R1.2 CC1=CSN=N1 Y8051 [0,0,0,1,0,0|2,1,0]=4 68 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,1,0,0|1,0,2]=4 70 B6R1.2 CC1=NON=C1 W4957 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 NC1=CSN=C1 W7611 [0,0,0,1,0,0|2,1,0]=4 73 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|3,0,0]=4 74 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|3,0,0]=4 75 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,1,0,0|1,1,1]=4 76 B6R1.6 O=CC1COC1 5573AA [0,0,0,1,0,0|1,0,2]=4 77 B3R0.1 Br\C=C\Br 6810AF [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,0]=3 79 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,0,0]=3 81 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,0,0]=3 82 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,0,0]=3 83 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 84 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 85 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,1]=4 86 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,0]=3 87 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|0,0,1]=3 90 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 C=CCC(N)=O Y1568 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|0,0,1]=3 94 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|0,0,1]=3 95 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,0,1]=3 96 B5R0.1 C\C(Cl)=C\CN 9653AD [1,1,0,0,0,0|1,0,0]=3 97 B5R0.1 C\C(Cl)=C\CO X6578 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|0,0,2]=4 99 B5R0.1 C\C=C\C(N)=O 7909AD [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|1,0,1]=4 102 B5R0.1 O=C(O)\C=C/Br V3608 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.1 O=C(O)\C=C/I 9333AB [1,1,0,0,0,0|1,0,1]=4 104 B5R0.1 O=C(O)\C=C\I V7047 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [1,1,0,0,0,0|1,1,0]=4 106 B5R0.5 C=C(Br)C(N)=O 0896AC [1,1,0,0,0,0|1,0,0]=3 107 B5R0.5 C=C(C)B(O)O X6995 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 109 B5R0.5 C=C(F)C(=O)[O-] 0621AP [1,1,0,0,0,0|1,0,0]=3 110 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|0,0,1]=3 113 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|1,0,1]=4 114 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 CN(C)C(N)=S 8335AE [1,1,0,0,0,0|1,1,0]=4 117 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,1]=4 118 B5R0.5 O=C(O)C(=O)O 7001AF [1,1,0,0,0,0|2,0,0]=4 119 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [1,1,0,0,0,0|2,0,0]=4 120 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,0]=3 121 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 122 B5R0.2 NC\C=C/CCl 3552AH [1,1,0,0,0,0|1,0,1]=4 123 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|0,0,2]=4 125 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|0,0,2]=4 126 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,2,0,0,0,0|2,0,0]=4 127 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|1,0,1]=4 128 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,2,0,0,0,0|1,0,0]=3 129 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,2,0,0,0,0|1,0,0]=3 130 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,2,0,0,0,0|2,0,0]=4 131 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|1,0,0]=3 132 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,1]=4 133 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,1]=4 134 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|0,0,2]=4 136 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|0,0,2]=4 137 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|1,0,1]=4 138 B7R0.7 C=COC(=O)\C=C\C E081 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,2,0,0,0,0|1,0,1]=4 141 B7R0.10 CNC(=O)C(C)NC 7051AE [0,2,0,0,0,0|1,0,1]=4 142 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|1,0,1]=4 143 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 144 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,2,0,0,0,0|1,0,0]=3 145 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,1]=4 146 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|0,0,0]=2 147 B7R0.12 COC(=CC#N)OC R092 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|0,0,2]=4 149 B7R0.13 COC(C)(C)C(C)=O X6059 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.14 C\C=C(/C)[B-](F)(F)F Y1743 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|0,0,2]=4 152 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|1,0,1]=4 153 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|1,0,1]=4 154 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|1,0,1]=4 155 B7R0.16 CC(C)=C(C)B(O)O X2548 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,2,0,0,0,0|1,0,1]=4 157 B7R0.16 O=C([O-])C(=O)C(=O)[O-] 1418AC [0,2,0,0,0,0|2,0,0]=4 158 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,1]=3 159 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,1,0,0|1,1,0]=4 160 B7R1.1 CCC1=CNN=C1 5501AD [0,1,0,1,0,0|2,0,0]=4 161 B7R1.1 NCC1=COC=C1 Y7389 [0,1,0,1,0,0|0,0,2]=4 162 B7R1.1 NCC1=COC=C1 Y9148 [0,1,0,1,0,0|0,0,2]=4 163 B7R1.1 NCC1=CON=C1 3103AA [0,1,0,1,0,0|1,0,1]=4 164 B7R1.1 NCC1=CON=C1 8976AA [0,1,0,1,0,0|1,0,1]=4 165 B7R1.1 NCC1=CSC=C1 Z3907 [0,1,0,1,0,0|0,1,1]=4 166 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,1,0,1,0,0|0,0,2]=4 167 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|0,0,0]=2 168 B7R1.1 O=CC1=CNN=N1 Z5678 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.1 O=CC1=NC=CO1 7478AE [0,1,0,1,0,0|1,0,1]=4 170 B7R1.1 O=CN1CCCC1 0706AQ [0,1,0,1,0,0|1,0,1]=4 171 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,1,0,1,0,0|1,1,0]=4 172 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,1,0,1,0,0|1,0,1]=4 173 B7R1.2 CC1=CN=C(N)N1 0439AC [0,1,0,1,0,0|2,0,0]=4 174 B7R1.2 CC1=CN=C(N)N1 3105AA [0,1,0,1,0,0|2,0,0]=4 175 B7R1.2 CC1=CN=C(N)N1 X7979 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.2 CC1=COC(C)=N1 5323AL [0,1,0,1,0,0|0,0,1]=3 177 B7R1.2 CC1=CSC(N)=C1 5740AC [0,1,0,1,0,0|0,1,1]=4 178 B7R1.2 CC1=NC(Br)=CN1 W3545 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.2 CC1=NC(N)=CS1 7776AC [0,1,0,1,0,0|1,1,0]=4 180 B7R1.2 CC1=NC=C(N)S1 Z5289 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.2 CC1=NN(C)N=C1 8968AB [0,1,0,1,0,0|2,0,0]=4 182 B7R1.2 CC1=NN=C(C)O1 Z4081 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|2,0,0]=4 184 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|1,0,1]=4 185 B7R1.2 NC1=NC(=O)CO1 9344AA [0,1,0,1,0,0|2,0,0]=4 186 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|1,0,1]=4 187 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|1,0,0]=3 189 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,1,0,1,0,0|1,0,1]=4 190 B7R1.4 CC1=C(C)OC=N1 X5138 [0,1,0,1,0,0|0,0,1]=3 191 B7R1.4 CC1=C(N)ON=C1 4334AB [0,1,0,1,0,0|1,0,1]=4 192 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|0,0,0]=2 193 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,1,0,0|1,0,0]=3 194 B7R1.4 CC1=CNN=C1N 9912AB [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1=NOC=C1N 4428AB [0,1,0,1,0,0|1,0,1]=4 196 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,1,0,0|1,0,1]=4 197 B7R1.4 CN1SC=CC1=O P432 [0,1,0,1,0,0|1,0,1]=4 198 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,0]=3 199 B7R1.6 O=CC=C1COC1 5578AC [0,1,0,1,0,0|1,0,1]=4 200 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|0,0,2]=4 201 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|1,0,1]=4 202 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|1,0,1]=4 203 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,1]=4 205 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,0,1]=4