0 B6R0.1 C#CCC(=O)OC 3698AB [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CC#CC(=O)OC X7106 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(=O)CSC K829 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CCCC(=O)SC 8847AJ [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CCCC(Br)CC 3975AB [0,0,0,0,0,0|1,0,3]=4 5 B6R0.1 CCCC(C)CC 7810AF [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 CCCC(O)CC 7557AF [0,0,0,0,0,0|0,0,4]=4 7 B6R0.1 CCNC(C)CC 7145AD [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCOC(=N)CC 8352AC [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CC[C@@H](N)COC 8948AH [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CC[C@H](N)COC 9106AH [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CNC(=O)CCN 4757AE [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 CNC(=O)CCO 8079AE [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 COC(=O)CCCl X6204 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 COC(=O)\C=C\N 1217AQ [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COCC(=O)OC J70196 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C=CCC(=C)C 5694AL [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CC(C)=CCCl 7671AJ [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 C\C(Cl)=C/CCl 4550AL [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C\C(Cl)=C\CN 9653AD [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C\C(Cl)=C\CO X6578 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C=C\C(C)C 7501AF [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 CCCCOC 7303AL [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCCNCC 8554AL [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CCCOCC 7892AL [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 CCCSCC R576 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 CC[Se][Se]CC 7651AL [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CC\C=C\C#N 5776AL [1,0,0,0,0,0|1,0,1]=3 37 B5R0.2 NC\C=C/CN Z2171 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 C=C(SC)SC 4356AL [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 C=C[C@H](N)CO 2392AL [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CCC(=O)CN X8894 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.3 CCC(=O)CO X5132 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.3 CCC(=S)OC R571 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.3 CNC(=O)NN 9285AA [1,0,0,0,0,0|3,0,0]=4 44 B5R0.3 C\C=C(/C)CC 0241AQ [1,0,0,0,0,0|1,0,0]=2 45 B5R0.3 C\C=C(/C)CC 9220AL [1,0,0,0,0,0|1,0,0]=2 46 B5R0.3 C\C=C(\C)CC 7440AL [1,0,0,0,0,0|1,0,0]=2 47 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,0|2,0,1]=4 53 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 C=C(CC)CCCC 5608AL [0,1,0,0,0,0|1,0,2]=4 58 B7R0.3 C=CCNC(=O)CN 2048AD [0,1,0,0,0,0|1,0,2]=4 59 B7R0.3 CCC(=O)NCCN 3366AF [0,1,0,0,0,0|1,0,1]=3 60 B7R0.3 CCCNC(=O)CN V6930 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,0,0,0,0|1,0,1]=3 62 B7R0.3 CCNCC(=O)OC 2143AA [0,1,0,0,0,0|1,0,2]=4 63 B7R0.3 CCNCC(=O)OC 2988AC [0,1,0,0,0,0|1,0,2]=4 64 B7R0.3 CNCCC(=O)NC 5845AE [0,1,0,0,0,0|1,0,2]=4 65 B7R0.3 COC(=O)C#CCO 3414AB [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 COC(=O)CCC=O W3030 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 COC(=O)CCCS X9990 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,1,0,0,0,0|1,0,0]=2 69 B7R0.3 NCC(=O)NCCO 0947AF [0,1,0,0,0,0|2,0,1]=4 70 B7R0.5 CCCC(=O)C(C)C 5712AL [0,1,0,0,0,0|0,0,2]=3 71 B7R0.7 C=C=CC(=O)OCC 4330AD [0,1,0,0,0,0|0,0,2]=3 72 B7R0.7 C=COC(=O)\C=C\C E081 [0,1,0,0,0,0|0,0,2]=3 73 B7R0.7 CCNC(=O)CCN 1836AD [0,1,0,0,0,0|1,0,1]=3 74 B7R0.7 CCNC(=O)CNC 2852AF [0,1,0,0,0,0|1,0,1]=3 75 B7R0.7 CCOC(=O)CNC 5920AA [0,1,0,0,0,0|1,0,1]=3 76 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,1,0,0,0,0|1,0,0]=2 77 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,1,0,0,0,0|1,0,0]=2 78 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,1,0,0,0,0|1,0,0]=2 79 B7R0.7 CCOS(=O)OCC 7113AF [0,1,0,0,0,0|2,0,1]=4 80 B7R0.7 CCSC(=O)SCC 7782AL [0,1,0,0,0,0|1,0,1]=3 81 B7R0.7 C\C=C\C(=O)N=C=S 6475AE [0,1,0,0,0,0|1,0,1]=3 82 B7R0.7 O=C(CCO)CCO 5879AB [0,1,0,0,0,0|1,0,2]=4 83 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.10 CCC(=O)C(O)CC 8871AL [0,1,0,0,0,0|0,0,2]=3 85 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,1,0,0,0,0|1,0,2]=4 86 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,1,0,0,0,0|1,0,2]=4 87 B7R0.10 CNC(=S)C(=S)NC 1000AD [0,1,0,0,0,0|2,1,0]=4 88 B7R0.10 COC(=O)C(=O)NN 7238AE [0,1,0,0,0,0|3,0,0]=4 89 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,1,0,0,0,0|2,0,1]=4 90 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,1,0,0,0,0|1,0,0]=2 91 B7R0.11 CCSS(=O)(=O)CC S198 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 BrCC1=NOC=C1 2020AJ [0,0,0,1,0,0|3,0,0]=4 93 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,1,0,0|1,0,1]=3 94 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,1,0,0|1,0,2]=4 97 B7R1.1 ClCC1=CC=NO1 8534AB [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 NCC1=CC=CN1 W7617 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 NCC1=CC=NO1 6076AB [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 NCC1=CNC=C1 4647AC [0,0,0,1,0,0|3,0,0]=4 101 B7R1.1 NCC1=COC=C1 Y9148 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.1 NCC1=CSC=C1 Z3907 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.1 NCC1=NOC=C1 3959AJ [0,0,0,1,0,0|3,0,0]=4 104 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.2 CC1=CC(N)=CS1 Z4474 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 CC1=CSC(N)=C1 5740AC [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 CC1=NNC(I)=C1 Y2583 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 CC1=NSC(I)=C1 6767AD [0,0,0,1,0,0|3,0,0]=4 112 B7R1.2 CC1=NSC(N)=C1 1797AB [0,0,0,1,0,0|3,0,0]=4 113 B7R1.2 CN1CCC(=O)C1 B871 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,1,0,0|1,0,0]=2 116 B7R1.2 NC1=CC(=O)NO1 2723AC [0,0,0,1,0,0|3,0,0]=4 117 B7R1.2 O=C1C=C(Br)CO1 V6658 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,0|1,0,0]=2 119 B7R1.2 O=C1C=C(O)CN1 6921AB [0,0,0,1,0,0|2,0,0]=3 120 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|1,0,2]=4 121 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.2 O=C1CNC(=O)C1 X3858 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,1,0,0|1,0,1]=3 125 B7R1.3 ClC1=CCCCC1 5746AC [0,0,0,1,0,0|1,0,1]=3 126 B7R1.3 O=C1C=CCCO1 X2978 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,1,0,0|1,0,0]=2 128 B7R1.3 O=C1NCCCO1 V6397 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.4 CC1=C(Br)C=CO1 2185AJ [0,0,0,1,0,0|2,0,1]=4 130 B7R1.4 CC1C=NNC1=O 1336AQ [0,0,0,1,0,0|2,0,1]=4 131 B7R1.4 CC1CCNC1=O Y8455 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.4 CN1SC=CC1=O P432 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 NC1CCNC1=O 0020AD [0,0,0,1,0,0|2,0,1]=4 134 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.4 N[C@H]1CCSC1=O S502 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.4 O=C1CCCC1Br X5623 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.4 O=C1CCCC1Cl W7923 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,0,0,1,0,0|2,0,1]=4 139 B7R1.6 O=CC=C1COC1 5578AC [0,0,0,1,0,0|3,0,0]=4 140 B7R1.22 COC(=O)C1CN1 6374AE [0,0,0,1,0,0|2,0,1]=4 141 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [0,0,0,1,0,0|2,0,1]=4 142 B4R0.1 C=C(F)CCl 6785AE [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C=C=C(C)C 6086AL [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 CC(=O)NBr 6847AF [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 C\C=C(/C)Cl 5560AL [2,0,0,0,0,0|1,0,0]=3 148 B4R0.1 C\C=C(\C)Cl 4247AL [2,0,0,0,0,0|1,0,0]=3 149 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 NCC(=O)[O-] Z1943 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.2 C=C=CCO 0432AQ [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|1,0,1]=4 154 B4R0.2 CCCSC U677 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 CCNCC 7650AL [2,0,0,0,0,0|1,0,1]=4 156 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,0]=2 157 B4R0.2 C\C=C\SC AMTGC066 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.2 Cl\C=C/CCl 7411AL [2,0,0,0,0,0|2,0,0]=4 159 B4R0.2 N\C=C/C=O 4699AJ [2,0,0,0,0,0|1,0,0]=3 160 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(=O)SC(C)=O 7216AF [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CC(=O)C(=O)CCl 5581AE [1,1,0,0,0,0|1,0,1]=4 163 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|0,0,2]=4 164 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|0,0,2]=4 165 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,1,0,0,0,0|0,0,0]=2 167 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,1,0,0,0,0|1,0,0]=3 168 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|1,0,1]=4 171 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|1,0,1]=4 173 B6R0.4 COCCC(C)=O B939 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.4 C\C=C\CC(C)C 6798AL [1,1,0,0,0,0|1,0,1]=4 175 B6R0.6 C=CCC\C=C\C 4658AL [1,1,0,0,0,0|0,0,2]=4 176 B6R0.6 CCC\C=C/CO 7423AL [1,1,0,0,0,0|0,0,1]=3 177 B6R0.6 CC\C=C\CCC 9219AL [1,1,0,0,0,0|0,0,1]=3 178 B6R0.6 C\C=C/CCCC 7422AL [1,1,0,0,0,0|0,0,1]=3 179 B6R0.6 C\C=C/CCCCl 7455AL [1,1,0,0,0,0|0,0,1]=3 180 B6R0.6 C\C=C\CCCC 7780AF [1,1,0,0,0,0|0,0,1]=3 181 B6R0.6 C\C=C\SCCC U946 [1,1,0,0,0,0|0,0,1]=3 182 B6R0.8 C=CS(=O)(=O)NC 2577AB [1,1,0,0,0,0|2,0,0]=4 183 B8R0.2 COC(=O)C(=O)C(C)C 7036AJ [0,2,0,0,0,0|1,0,0]=3 184 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,2,0,0,0,0|1,0,0]=3 185 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,2,0,0,0,0|1,0,1]=4 186 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,2,0,0,0,0|1,0,1]=4 187 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,2,0,0,0,0|0,0,2]=4 188 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,2,0,0,0,0|0,0,2]=4 189 B8R0.5 CCOC(=O)CN(C)C 3848AB [0,2,0,0,0,0|1,0,1]=4 190 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,2,0,0,0,0|1,0,1]=4 191 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,2,0,0,0,0|1,0,1]=4 192 B8R0.5 COCC(=O)CC(C)=O W7487 [0,2,0,0,0,0|0,0,1]=3 193 B8R0.16 CO\C(C=O)=C\N(C)C X9940 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,2,0,0,0,0|0,0,1]=3 195 B8R0.23 CC(=O)CC(=O)C(F)F 5749AB [0,2,0,0,0,0|1,0,1]=4 196 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,2,0,0,0,0|1,0,1]=4 197 B8R0.23 CC(C)NC(=O)C(C)Cl 3092AE [0,2,0,0,0,0|1,0,1]=4 198 B8R0.23 CC(C)NC(=O)C(C)N 2921AD [0,2,0,0,0,0|1,0,1]=4 199 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,2,0,0,0,0|1,0,1]=4 200 B8R0.1 C=CCNC(=O)CCCl 8322AC [0,2,0,0,0,0|0,0,2]=4 201 B8R0.1 C=CCNC(=O)CCN 2213AD [0,2,0,0,0,0|0,0,2]=4 202 B8R0.1 C=CCNC(=O)CNC 2215AD [0,2,0,0,0,0|0,0,2]=4 203 B8R0.1 CCCCC(=O)CCC 8758AB [0,2,0,0,0,0|0,0,2]=4 204 B8R0.1 CCCNC(=O)CCN 2039AD [0,2,0,0,0,0|0,0,2]=4 205 B8R0.1 CCCNC(=O)CNC 2661AF [0,2,0,0,0,0|0,0,2]=4 206 B8R0.1 CCCNC(=O)CNC 8106AC [0,2,0,0,0,0|0,0,2]=4 207 B8R0.1 CNCC(=O)NCCO 2049AD [0,2,0,0,0,0|1,0,1]=4 208 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,2,0,0,0,0|0,0,0]=2 209 B8R0.1 NCCC(=O)NCCO 2327AD [0,2,0,0,0,0|1,0,1]=4 210 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,2,0,0,0,0|1,0,1]=4 211 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,2,0,0,0,0|0,0,2]=4 213 B8R0.8 C=CCNC(=O)C(C)N 2874AD [0,2,0,0,0,0|0,0,2]=4 214 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [0,2,0,0,0,0|0,0,2]=4 215 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,2,0,0,0,0|1,0,1]=4 216 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,2,0,0,0,0|0,0,2]=4 217 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,2,0,0,0,0|0,0,2]=4 218 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,2,0,0,0,0|1,0,1]=4 219 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,2,0,0,0,0|0,0,1]=3 220 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,2,0,0,0,0|0,0,2]=4 221 B8R0.9 CCC(=O)COC(C)=O X5648 [0,2,0,0,0,0|0,0,1]=3 222 B8R0.9 COC(=O)CNC(C)=O 3516AL [0,2,0,0,0,0|1,0,1]=4 223 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,2,0,0,0,0|1,0,0]=3 225 B8R0.14 CCNC(=O)C(C)(C)N 2418AD [0,2,0,0,0,0|1,0,1]=4 226 B8R0.13 CCC(=O)C(C)(C)C=O 1854AL [0,2,0,0,0,0|1,0,1]=4 227 B6R1.2 BrC1=CCCC1 Z8081 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|1,0,1]=4 229 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|1,0,1]=4 231 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,1,0,0|1,0,0]=3 232 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,1,0,0|1,0,0]=3 233 B6R1.10 O=S1(=O)C=CC1 8838AE [1,0,0,1,0,0|2,0,0]=4 234 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|1,0,1]=4 235 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,1,0,0|1,1,0]=4 237 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,1,0,0|1,1,0]=4 238 B8R1.1 CC1=CC=C(CN)S1 Z2080 [0,1,0,1,0,0|1,1,0]=4 239 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,1,0,0|1,1,0]=4 240 B8R1.1 CC1=CN=C(CCl)S1 X4782 [0,1,0,1,0,0|1,1,0]=4 241 B8R1.1 CC1=CN=C(CN)S1 4774AJ [0,1,0,1,0,0|1,1,0]=4 242 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,1,0,0|2,0,0]=4 243 B8R1.1 CC1=CNC(CN)=N1 8794AH [0,1,0,1,0,0|2,0,0]=4 244 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,1,0,0|2,0,0]=4 245 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,1,0,0|1,1,0]=4 246 B8R1.1 CC1=NC(CCl)=CS1 Y8976 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,1,0,0|1,1,0]=4 248 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,1,0,0|1,0,1]=4 249 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,1,0,0|1,0,1]=4 251 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,1,0,0|1,0,1]=4 252 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,1,0,1,0,0|0,0,1]=3 254 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,1,0,0|1,1,0]=4 255 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,1,0,0|1,1,0]=4 258 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,1,0,1,0,0|1,0,1]=4 259 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,1,0,1,0,0|2,0,0]=4 260 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,1,0,1,0,0|2,0,0]=4 261 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,1,0,0|2,0,0]=4 262 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,1,0,0|2,0,0]=4 263 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.1 CNC1=NOC(C)=C1 4341AJ [0,1,0,1,0,0|1,0,1]=4 265 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,1,0,0|0,0,0]=2 266 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,1,0,0|1,1,0]=4 267 B8R1.1 CSC1=NC(C)=CS1 2874AJ [0,1,0,1,0,0|2,0,0]=4 268 B8R1.1 NC[C@H]1CCC(=O)N1 X5489 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|0,0,2]=4 272 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,1,0,0|0,0,2]=4 273 B8R1.4 CC1CNCC(=O)N1 3610AJ [0,1,0,1,0,0|1,0,1]=4 274 B8R1.4 CC1COCC(=O)N1 V7159 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,1,0,1,0,0|1,0,1]=4 276 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|0,0,2]=4 277 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|0,0,2]=4 278 B8R1.4 CN1CCCC(=O)C1 W6919 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,1,0,0|1,0,1]=4 280 B8R1.4 O=C1CNCC(=O)N1 4515AB [0,1,0,1,0,0|2,0,0]=4 281 B8R1.4 O=C1COCC(=O)N1 7446AH [0,1,0,1,0,0|2,0,0]=4 282 B8R1.4 O=C1CSCC(=O)C1 W7877 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.4 O=C1[CH-]C(=O)COC1 W9025 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,1,0,1,0,0|0,1,1]=4 286 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,1,0,1,0,0|2,0,0]=4 287 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,1,0,0|1,0,1]=4 289 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.3 CN1CCC(=O)CC1 A394 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,1,0,0|1,0,1]=4 292 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,1,0,0|1,0,1]=4 293 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,1,0,1,0,0|1,0,1]=4 294 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.3 O[C@@H]1C=C[C@@H](O)CC1 5716AB [0,1,0,1,0,0|0,0,2]=4 296 B8R1.5 CC1CCCOC1=O 3885AL [0,1,0,1,0,0|0,0,2]=4 297 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,1,0,0|0,0,2]=4 298 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|1,0,1]=4 299 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,1,0,1,0,0|1,0,1]=4 300 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,1,0,1,0,0|1,0,1]=4 301 B8R1.5 NC1CCCCC1=O 0726AC [0,1,0,1,0,0|0,0,2]=4 302 B8R1.5 NN1CCCCC1=O 3513AB [0,1,0,1,0,0|1,0,1]=4 303 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,1,0,0|1,0,1]=4 305 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,1,0,0|1,0,1]=4 306 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,1,0,0|0,0,2]=4 308 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,1,0,0|1,0,1]=4 309 B8R1.5 O=C1NCCNC1=O 3615AD [0,1,0,1,0,0|2,0,0]=4 310 B8R1.22 O=C1CCCCNC1 0003AC [0,1,0,1,0,0|0,0,2]=4 311 B8R1.22 O=C1CCCNCC1 X2001 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.22 O=C1CCOCCO1 4654AL [0,1,0,1,0,0|1,0,1]=4 314 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,1,0,0|1,0,1]=4 315 B8R1.22 O=C1CNCCCN1 5019AJ [0,1,0,1,0,0|1,0,1]=4 316 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|0,0,0]=2 317 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [0,1,0,1,0,0|1,0,0]=3 318 B8R1.50 CC1=CC=C(C)N1C 4413AL [0,1,0,1,0,0|2,0,0]=4 319 B8R1.50 CC1=CN=C(Br)N1C V4574 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.50 CC1=NOC(=O)C1C W3412 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.50 CC1CCN(C)C1=O Y8129 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,1,0,1,0,0|1,0,1]=4 323 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [0,1,0,1,0,0|2,0,0]=4 324 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,1,0,1,0,0|0,0,2]=4 325 B8R1.7 CC(N)C1=COC=C1 2007AB [0,1,0,1,0,0|2,0,0]=4 326 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,1,0,0|2,0,0]=4 327 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,1,0,0|2,0,0]=4 329 B8R1.19 CC1(C)CCNC1=O 4182AE [0,1,0,1,0,0|1,0,1]=4 330 B8R1.19 CC1(C)OC=CC1=O 0580AQ [0,1,0,1,0,0|1,0,0]=3 331 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,1,0,1,0,0|1,0,1]=4 332 B8R1.37 COCC(=O)C1CC1 8478AA [0,1,0,1,0,0|0,0,2]=4 333 B8R1.54 CC(Br)C(=O)C1CC1 5469AJ [0,1,0,1,0,0|0,0,2]=4 334 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,1,0,1,0,0|0,1,1]=4 335 B8R1.8 BrCCC1=CSC=C1 W7060 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,1,0,0|0,0,2]=4 337 B8R1.8 CCCC1=CSC=C1 Z5466 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.8 CCNC1=CC=CS1 W4294 [0,1,0,1,0,0|0,1,1]=4 339 B8R1.8 CNCC1=CC=NN1 0420AC [0,1,0,1,0,0|2,0,0]=4 340 B8R1.8 CNCC1=CC=NO1 4172AJ [0,1,0,1,0,0|1,0,1]=4 341 B8R1.8 CNCC1=COC=C1 7832AD [0,1,0,1,0,0|2,0,0]=4 342 B8R1.8 CNCC1=NOC=C1 4335AJ [0,1,0,1,0,0|2,0,0]=4 343 B8R1.8 CNCC1=NOC=C1 7285AH [0,1,0,1,0,0|2,0,0]=4 344 B8R1.8 NCCC1=CC=CN1 1070AJ [0,1,0,1,0,0|1,0,1]=4 345 B8R1.8 NCCC1=CC=CN1 5556AB [0,1,0,1,0,0|1,0,1]=4 346 B8R1.8 NCCC1=NNC=C1 4102AD [0,1,0,1,0,0|2,0,0]=4 347 B8R1.8 OCCC1=CSC=C1 J11110 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.8 OCCC1=NNC=C1 1008AJ [0,1,0,1,0,0|2,0,0]=4 349 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.11 CC1=C(C=O)C=CS1 3068AC [0,1,0,1,0,0|1,0,1]=4 351 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,1,0,0|2,0,0]=4 352 B8R1.11 CCN1N=CC=C1Br 5279AA [0,1,0,1,0,0|2,0,0]=4 353 B8R1.11 CCN1N=CC=C1I V2890 [0,1,0,1,0,0|2,0,0]=4 354 B8R2.25 C1=CC2OC2CC1 0136AQ [0,0,0,2,0,0|0,0,2]=4