0 B5R0.3 C=C(SC)SC 4356AL [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 C=C[C@H](O)CO 1303AL [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(=O)CN X8894 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CCC(=O)CO X5132 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CCC(=S)OC R571 [0,0,0,0,0,0|0,1,2]=3 5 B5R0.3 CNC(=O)CN X2965 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CNC(=O)NN 9285AA [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 COC(C)C#N 0627AE [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CO[SiH](C)OC I516 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.3 C\C(C=O)=C/N 3293AB [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C\C=C(/C)CC 9220AL [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 C\C=C(\C)CC 7440AL [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 COP(Cl)Cl X7327 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CSC(=N)N 4399AD [1,0,0,0,0,0|2,1,0]=4 22 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|0,1,1]=3 23 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C=C=CCO 0432AQ [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|0,0,3]=4 31 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 32 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 C#CCC(=O)OC 3698AB [0,1,0,0,0,0|0,0,2]=3 35 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|0,0,2]=3 37 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|0,1,2]=4 38 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|0,1,2]=4 39 B6R0.1 CCNC(=O)CBr 5060AE [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCNC(=O)CN 8793AD [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 CCSC(=O)CC 8960AL [0,1,0,0,0,0|0,1,2]=4 43 B6R0.1 CNC(=O)CCCl 2983AE [0,1,0,0,0,0|1,0,2]=4 44 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|1,0,2]=4 45 B6R0.1 CNCC(=O)NC V5990 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|0,0,2]=3 47 B6R0.1 COC(=O)\C=C/Br 6846AE [0,1,0,0,0,0|0,0,0]=1 48 B6R0.1 COC(=O)\C=C/I 6847AE [0,1,0,0,0,0|0,0,0]=1 49 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|0,0,0]=1 50 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|1,0,2]=4 53 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 CNC(=O)C(C)Br 9099AE [0,1,0,0,0,0|1,0,2]=4 55 B6R0.3 CNC(=O)C(C)N V5134 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 NNC(=O)C(N)=O 4727AE [0,1,0,0,0,0|3,0,0]=4 61 B6R0.8 C=CS(=O)(=O)NC 2577AB [0,1,0,0,0,0|2,0,0]=3 62 B6R1.2 BrC1=CC=NS1 7852AB [0,0,0,1,0,0|2,1,0]=4 63 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|1,0,1]=3 65 B6R1.2 CC1=NOC=C1 Z4582 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 IC1=CC=NN1 Z6311 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.2 NC1=NCCO1 5489AL [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|1,0,0]=2 70 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|0,1,0]=2 71 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|1,1,1]=4 73 B3R0.1 Br\C=C\Br 6810AF [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,0]=3 75 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,0,0]=3 77 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,0,0]=3 79 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,1]=4 80 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,1]=4 81 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|1,0,0]=3 82 B3R0.2 O=S(O)O 8693AF [2,0,0,0,0,0|2,0,0]=4 83 B3R0.2 O=S(O)O S352 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|1,0,0]=3 86 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,0,2]=4 88 B5R0.1 C=CCC(N)=O Y1568 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,1]=4 92 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,0,2]=4 93 B5R0.1 COCC(=N)N 1769AJ [1,1,0,0,0,0|2,0,0]=4 94 B5R0.1 C\C(Cl)=C\CN 9653AD [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 C\C(Cl)=C\CO X6578 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 C\C=C\B(O)O X4905 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,1]=4 98 B5R0.1 C\C=C\C(N)=O 7909AD [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|2,0,0]=4 100 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|0,0,2]=4 101 B5R0.1 O=C(O)\C=C/Br V3608 [1,1,0,0,0,0|0,0,0]=2 102 B5R0.1 O=C(O)\C=C/I 9333AB [1,1,0,0,0,0|0,0,0]=2 103 B5R0.1 O=C(O)\C=C\I V7047 [1,1,0,0,0,0|0,0,0]=2 104 B5R0.4 C=CP(=O)(O)O 9407AL [1,1,0,0,0,0|1,0,0]=3 105 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|1,0,1]=4 109 B5R0.5 C=C(F)C(=O)[O-] 0621AP [1,1,0,0,0,0|0,0,1]=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|0,0,2]=4 113 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|2,0,0]=4 115 B5R0.5 O=C(O)C(=O)O 7001AF [1,1,0,0,0,0|1,0,0]=3 116 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|1,0,1]=4 117 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|1,0,1]=4 118 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|1,0,1]=4 119 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [1,1,0,0,0,0|1,0,1]=4 120 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|1,0,1]=4 121 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|0,0,1]=3 122 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|0,1,1]=4 123 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,0]=3 124 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 NOC\C=C\Cl 6798AC [1,1,0,0,0,0|1,0,1]=4 126 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,1]=4 127 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,2,0,0,0,0|2,0,0]=4 128 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,2,0,0,0,0|1,0,1]=4 129 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|2,0,0]=4 130 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,2,0,0,0,0|0,0,1]=3 131 B7R0.3 C=CC(=O)NCCC 3769AL [0,2,0,0,0,0|1,0,0]=3 132 B7R0.3 C=CC(=O)NCCN 1689AB [0,2,0,0,0,0|1,0,0]=3 133 B7R0.3 C=CCCC(=O)OC 0026AQ [0,2,0,0,0,0|0,0,0]=2 134 B7R0.3 C=CCNC(=O)CN 2048AD [0,2,0,0,0,0|2,0,0]=4 135 B7R0.3 C=CCOC(=O)C=C 7691AF [0,2,0,0,0,0|0,0,0]=2 136 B7R0.3 CCNCC(=O)OC 2143AA [0,2,0,0,0,0|0,0,2]=4 137 B7R0.3 CCNCC(=O)OC 2988AC [0,2,0,0,0,0|0,0,2]=4 138 B7R0.3 CCOCC(=O)NN 2388AE [0,2,0,0,0,0|2,0,0]=4 139 B7R0.3 CNCCC(=O)OC 1857AB [0,2,0,0,0,0|0,0,2]=4 140 B7R0.3 CNCCC(=O)OC X3419 [0,2,0,0,0,0|0,0,2]=4 141 B7R0.3 COC(=O)C#CCO 3414AB [0,2,0,0,0,0|0,0,2]=4 142 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|0,0,1]=3 143 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|0,0,2]=4 144 B7R0.3 CO\C=C\C(=O)OC W5649 [0,2,0,0,0,0|0,0,0]=2 145 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|0,0,0]=2 146 B7R0.7 C=C=CC(=O)OCC 4330AD [0,2,0,0,0,0|0,0,0]=2 147 B7R0.7 C=CCC(=O)OCC X3652 [0,2,0,0,0,0|0,0,0]=2 148 B7R0.7 C=COC(=O)\C=C\C E081 [0,2,0,0,0,0|0,0,1]=3 149 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,2,0,0,0,0|0,0,0]=2 150 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,2,0,0,0,0|0,0,0]=2 151 B7R0.7 C\C=C\C(=O)N=C=S 6475AE [0,2,0,0,0,0|1,0,1]=4 152 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|0,0,0]=2 153 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|0,0,1]=3 154 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|0,0,2]=4 155 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|0,0,1]=3 156 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,2,0,0,0,0|0,0,2]=4 157 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|0,0,2]=4 158 B7R0.10 COC(=O)C(N)CCl W5534 [0,2,0,0,0,0|0,0,2]=4 159 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|0,0,2]=4 160 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,2,0,0,0,0|0,0,0]=2 161 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|2,0,0]=4 162 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|0,0,0]=2 163 B7R0.11 C=C[Si](C)(C)OCC 3277AL [0,2,0,0,0,0|1,1,0]=4 164 B7R0.12 COC(=CC#N)OC R092 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.16 C=C(C)C(=O)N(C)C 8445AL [0,2,0,0,0,0|1,0,0]=3 166 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,2,0,0,0,0|2,0,0]=4 167 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|2,0,0]=4 168 B5R1.1 C1=CSN=C1 Z4550 [1,0,0,1,0,0|1,1,0]=4 169 B7R1.1 CCC1=CC=NO1 3273AB [0,1,0,1,0,0|1,0,1]=4 170 B7R1.1 CCC1=CNC=N1 6226AL [0,1,0,1,0,0|2,0,0]=4 171 B7R1.1 CCC1=NNC=C1 6654AA [0,1,0,1,0,0|2,0,0]=4 172 B7R1.1 CNC1=NC=CO1 6947AC [0,1,0,1,0,0|1,0,1]=4 173 B7R1.1 COC1=CC=CO1 2109AL [0,1,0,1,0,0|0,0,1]=3 174 B7R1.1 CSC1=CNC=N1 X6327 [0,1,0,1,0,0|1,1,0]=4 175 B7R1.1 CSC1=NC=CO1 6777AD [0,1,0,1,0,0|0,1,1]=4 176 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,1,0,1,0,0|0,1,1]=4 177 B7R1.1 O=CC1=NC=CO1 7478AE [0,1,0,1,0,0|1,0,1]=4 178 B7R1.1 OCC1=CC=NO1 6850AC [0,1,0,1,0,0|1,0,1]=4 179 B7R1.2 CC1=CC=C(Cl)S1 8881AA [0,1,0,1,0,0|1,1,0]=4 180 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|1,0,1]=4 181 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,1]=4 182 B7R1.2 CN1C=CC(Cl)=N1 9664AB [0,1,0,1,0,0|2,0,0]=4 183 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,1,0,1,0,0|2,0,0]=4 184 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|1,0,0]=3 185 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|1,0,0]=3 187 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|2,0,0]=4 189 B7R1.3 O=C1C=CCCN1 9030AB [0,1,0,1,0,0|1,0,0]=3 190 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|0,0,0]=2 191 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,1,0,1,0,0|1,0,1]=4 192 B7R1.4 CC1=C(N)ON=C1 4334AB [0,1,0,1,0,0|2,0,0]=4 193 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|0,0,0]=2 194 B7R1.4 CC1=CNC=C1C 2295AL [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,1,0,0|2,0,0]=4 196 B7R1.4 CN1C=CN=C1N Z5007 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.4 CN1C=NC=C1N Y1665 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.4 CN1SC=CC1=O P432 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,0]=3 200 B7R1.14 O=S1(=O)C=CCC1 Z8082 [0,1,0,1,0,0|2,0,0]=4