0 B7R0.5 C=C(Br)C(=O)OCC Y5466 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,0,0,0,0,0|2,1,1]=4 2 B7R0.5 CCCC(=O)C(C)C 5712AL [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CCCC(O)C(C)C 5711AL [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CC#CC(=O)OC X7106 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCC(=O)CSC K829 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCCC(=O)SC 8847AJ [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCCC(Br)CC 3975AB [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(C)CC 7810AF [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCCC(O)CC 7557AF [1,0,0,0,0,0|1,0,2]=4 10 B6R0.1 CCNC(C)CC 7145AD [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=N)CC 8352AC [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 CCOC(C)CN 0082AD [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCOC(C)CN Y4465 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CNC(=O)CCO 8079AE [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 COC(=O)CCCl X6204 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 COCC(=O)OC J70196 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CC(=O)C(=O)CCl 5581AE [1,0,0,0,0,0|1,1,1]=4 20 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,0,0,0,0|0,0,0]=1 22 B6R0.3 CCC(C)C(C)C 5239AL [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CN(C)C(=O)CI 1440AC [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 CN(C)C(=O)CN W4015 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 CN(C)C(=O)CN Z5718 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 CNC(=O)C(F)Cl 5097AE [1,0,0,0,0,0|3,0,0]=4 28 B6R0.3 COC(=O)N(C)N 6989AD [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.3 COC(C)C(C)O V6491 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCC(C)C 5734AL [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCCCC(C)Cl 5578AL [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|1,1,1]=4 35 B6R0.4 CCCNC(C)C 7560AH [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CCNCC(C)O 2626AE [1,0,0,0,0,0|1,1,1]=4 38 B8R0.2 COC(=O)C(=O)C(C)C 7036AJ [0,1,0,0,0,0|3,0,0]=4 39 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,1,0,0,0,0|1,0,1]=3 40 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,1,0,0,0,0|2,0,0]=3 42 B8R0.8 C=CCNC(=O)C(C)N 2874AD [0,1,0,0,0,0|2,0,1]=4 43 B8R0.8 C=CCOC(=O)[C@H](C)N 6180AB [0,1,0,0,0,0|1,0,1]=3 44 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,1,0,0,0,0|2,0,0]=3 45 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,1,0,0,0,0|2,0,0]=3 46 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,0,0,0,0|0,1,0]=2 47 B8R0.8 CCOCC(N)C(C)C 0358AD [0,1,0,0,0,0|2,0,1]=4 48 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,1,0,0,0,0|3,0,0]=4 49 B8R0.14 CCNC(=O)C(C)(C)N 2418AD [0,1,0,0,0,0|2,0,0]=3 50 B8R0.14 CCOC(=O)C(F)(Br)Br 8651AJ [0,1,0,0,0,0|2,0,0]=3 51 B8R0.14 CCOC(=O)C(F)(F)F J70052 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,0,0|1,1,1]=4 53 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,1,0,0,0,0|2,0,0]=3 55 B8R0.23 CC(C)NC(=O)C(C)Cl 3092AE [0,1,0,0,0,0|2,0,0]=3 56 B8R0.23 CC(C)NC(=O)C(C)N 2921AD [0,1,0,0,0,0|2,0,0]=3 57 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,1,0,0,0,0|1,0,0]=2 58 B8R1.5 CC1CCCOC1=O 3885AL [0,0,0,1,0,0|1,0,0]=2 59 B8R1.5 CC1COCCC1=O Z3955 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,0,1,0,0|1,1,0]=3 61 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,0,0,1,0,0|2,0,0]=3 62 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,0,0,1,0,0|2,0,0]=3 63 B8R1.5 NC1CCCCC1=O 0726AC [0,0,0,1,0,0|2,0,0]=3 64 B8R1.5 NN1CCCCC1=O 3513AB [0,0,0,1,0,0|3,0,0]=4 65 B8R1.5 NN1CCCCC1=O Z4590 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,0,0,1,0,0|2,0,0]=3 67 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,0,0,1,0,0|2,0,0]=3 68 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,0,0,1,0,0|2,0,0]=3 69 B8R1.5 O=C1NCCCC1Br 4146AB [0,0,0,1,0,0|2,0,0]=3 70 B8R1.7 CC(C)C1=NCCO1 5673AL [0,0,0,1,0,0|2,0,0]=3 71 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|2,0,0]=3 72 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,0,0,1,0,0|0,1,0]=2 73 B8R1.37 COCC(=O)C1CC1 8478AA [0,0,0,1,0,0|3,0,0]=4 74 B8R1.54 CC(Br)C(=O)C1CC1 5469AJ [0,0,0,1,0,0|2,0,0]=3 75 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,0,0,0,0,1|3,0,0]=4 76 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,0,0,0,0,1|2,0,0]=3 77 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,0,0,0,0,1|1,0,0]=2 78 B8R0.5 CCOC(=O)CN(C)C 3848AB [0,0,0,0,0,1|2,0,0]=3 79 B8R0.5 CNCC(=O)NC(C)C 1017AD [0,0,0,0,0,1|3,0,0]=4 80 B8R0.5 CNCC(=O)NC(C)C 4697AE [0,0,0,0,0,1|3,0,0]=4 81 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 CCOC(C)C 7879AL [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 CCSC(C)C 7880AL [2,0,0,0,0,0|1,1,0]=4 84 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|1,0,1]=4 87 B5R0.1 COC[C@H](C)O W4988 [2,0,0,0,0,0|0,1,1]=4 88 B5R0.1 C\C=C\C(C)C 7501AF [2,0,0,0,0,0|1,0,1]=4 89 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,1]=4 90 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|0,0,1]=3 91 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|1,0,1]=4 92 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|0,1,1]=4 93 B5R0.2 CCOCCCl 7903AJ [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|1,0,1]=4 95 B5R0.2 CC[Se][Se]CC 7651AL [2,0,0,0,0,0|1,1,0]=4 96 B5R0.3 CCC(=O)CN X8894 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.3 CCC(=O)CO X5132 [2,0,0,0,0,0|0,1,0]=3 98 B5R0.3 CCC(=S)OC R571 [2,0,0,0,0,0|0,1,0]=3 99 B5R0.3 CCC(C)CS U578 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.3 CCC(S)CS 4441AL [2,0,0,0,0,0|0,1,1]=4 101 B5R0.3 C\C=C(/C)CC 0241AQ [2,0,0,0,0,0|1,0,1]=4 102 B5R0.3 C\C=C(/C)CC 9220AL [2,0,0,0,0,0|1,0,1]=4 103 B5R0.3 C\C=C(\C)CC 7440AL [2,0,0,0,0,0|1,0,1]=4 104 B5R0.5 C=C(C)C(C)C 5230AL [2,0,0,0,0,0|2,0,0]=4 105 B5R0.5 CC(=O)C(C)F 0085AF [2,0,0,0,0,0|1,0,0]=3 106 B5R0.5 CC(S)C(C)S 9352AJ [2,0,0,0,0,0|0,1,1]=4 107 B5R0.5 C[C@H](N)C(N)=O 7048AH [2,0,0,0,0,0|2,0,0]=4 108 B5R0.5 O=C(O)C(Cl)Br 8168AB [2,0,0,0,0,0|2,0,0]=4 109 B5R0.5 O=C(O)C(F)Br 8446AJ [2,0,0,0,0,0|2,0,0]=4 110 B5R0.5 O=C(O)C(F)Cl 4068AE [2,0,0,0,0,0|2,0,0]=4 111 B7R0.2 CC(C)NC(=O)CBr 1764AC [1,1,0,0,0,0|2,0,0]=4 112 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 113 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|2,0,0]=4 114 B7R0.3 C=C(CCl)OCOC 1799AL [1,1,0,0,0,0|2,0,0]=4 115 B7R0.3 CCC(=O)NCCN 3366AF [1,1,0,0,0,0|1,0,0]=3 116 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|2,0,0]=4 118 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|2,0,0]=4 119 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|2,0,0]=4 120 B7R0.3 CCOCC(=O)NN 2388AE [1,1,0,0,0,0|2,0,0]=4 121 B7R0.3 CCOCC(N)CC 8270AE [1,1,0,0,0,0|1,0,1]=4 122 B7R0.3 CNCCC(=O)NC 5845AE [1,1,0,0,0,0|2,0,0]=4 123 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.3 NCC(=O)NCCO 0947AF [1,1,0,0,0,0|2,0,0]=4 125 B7R0.7 C=C=CC(=O)OCC 4330AD [1,1,0,0,0,0|0,0,2]=4 126 B7R0.7 CCNC(=O)CCN 1836AD [1,1,0,0,0,0|1,0,0]=3 127 B7R0.7 CCNC(=O)CNC 2852AF [1,1,0,0,0,0|1,0,0]=3 128 B7R0.7 CCOC(=O)CNC 5920AA [1,1,0,0,0,0|0,0,0]=2 129 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|0,0,2]=4 130 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|0,0,2]=4 131 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|0,0,2]=4 132 B7R0.7 CCOS(=O)OCC 7113AF [1,1,0,0,0,0|1,0,0]=3 133 B7R0.7 CCSC(=O)SCC 7782AL [1,1,0,0,0,0|0,1,0]=3 134 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|2,0,0]=4 135 B7R0.10 CCC(=O)C(O)CC 8871AL [1,1,0,0,0,0|1,0,0]=3 136 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [1,1,0,0,0,0|2,0,0]=4 137 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|2,0,0]=4 138 B7R0.11 CCOC(C)(C)CC 9029AL [1,1,0,0,0,0|1,0,1]=4 139 B7R0.11 CCSS(=O)(=O)CC S198 [1,1,0,0,0,0|1,1,0]=4 140 B7R0.14 CC(C)(C)C(=O)CN 2819AC [1,1,0,0,0,0|2,0,0]=4 141 B7R0.14 CNC(=O)C(C)(C)N 0533AF [1,1,0,0,0,0|2,0,0]=4 142 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [1,1,0,0,0,0|0,1,1]=4 143 B7R0.16 CC(Cl)C(=O)N(C)C 7847AC [1,1,0,0,0,0|2,0,0]=4 144 B7R0.4 CC(C)COCCN 0042AD [1,1,0,0,0,0|1,0,1]=4 145 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [0,1,0,0,0,1|1,0,1]=4 146 B9R0.6 C=C(C)C(=O)C(=O)OCC 6740AJ [0,1,0,0,0,1|1,0,1]=4 147 B9R0.6 CCNC(=O)C(N)C(C)C 2776AD [0,1,0,0,0,1|2,0,0]=4 148 B9R0.6 CCOC(=O)C(Br)C(C)Br 7846AL [0,1,0,0,0,1|1,0,0]=3 149 B9R0.23 CCC(Br)C(=O)NC(C)C 2965AE [0,1,0,0,0,1|2,0,0]=4 150 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,1,0,0,0,1|2,0,0]=4 151 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,1,0,0,0,1|0,1,1]=4 152 B9R0.34 CCOC(=O)CC(C)NC 8105AE [0,1,0,0,0,1|1,0,0]=3 153 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,1,0,0,0,1|0,1,0]=3 154 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [0,1,0,0,0,1|0,1,0]=3 155 B9R0.34 CCOC(=O)\C=C(/C)C=O 0167AQ [0,1,0,0,0,1|0,1,1]=4 156 B9R0.44 CCOC(=O)CC(C)(C)N 4059AJ [0,1,0,0,0,1|1,0,0]=3 157 B9R0.41 CCN(CC)C(=O)C(C)N 0838AF [0,2,0,0,0,0|2,0,0]=4 158 B9R0.35 CCOC(=O)C(C)CNC 8720AC [0,2,0,0,0,0|1,0,0]=3 159 B9R0.3 CC(C)(N)C(=O)NCCO 2218AD [0,2,0,0,0,0|2,0,0]=4 160 B9R0.3 CCCNC(=O)C(C)(C)N 1458AD [0,2,0,0,0,0|2,0,0]=4 161 B9R0.42 CCC(C)NC(=O)C(C)N 3093AD [0,2,0,0,0,0|2,0,0]=4 162 B9R0.47 CC(N)C(=O)NCCCO 2760AD [0,2,0,0,0,0|2,0,0]=4 163 B9R0.47 CCCCNC(=O)C(C)N 7164AE [0,2,0,0,0,0|2,0,0]=4 164 B9R0.47 COCCNC(=O)C(C)N 2847AD [0,2,0,0,0,0|2,0,0]=4 165 B9R0.10 CC(C)NC(=O)C(C)(C)N 1989AD [0,2,0,0,0,0|2,0,0]=4 166 B9R0.57 CC(N)C(=O)NC(C)(C)C 1117AD [0,2,0,0,0,0|2,0,0]=4 167 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C 2830AH [0,2,0,0,0,0|0,1,0]=3 168 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.2 O=C1CCC(I)C1 3588AC [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 O=C1CCC(O)N1 W1140 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 ClC1=CCCCC1 5746AC [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|0,0,2]=4 175 B7R1.3 O=C1NCCCO1 V6397 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,1,0,0|0,0,2]=4 177 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 179 B7R1.4 N[C@@H]1CCNC1=O X9462 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.4 N[C@H]1CCSC1=O S502 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.4 O=C1CCCC1Br X5623 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.4 O=C1CCCC1Cl W7923 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|0,1,0]=3 184 B7R1.7 CCOCC1CO1 7875AL [1,0,0,1,0,0|0,1,1]=4 185 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,0,0,1,0,1|2,0,0]=4 186 B9R1.34 CC1CC(=O)CC(C)N1 7189AC [0,0,0,1,0,1|2,0,0]=4 187 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,0,0,1,0,1|1,1,0]=4 188 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3929AJ [0,0,0,1,0,1|2,0,0]=4 189 B9R1.48 CC1CC(=O)NCCN1 Y4643 [0,0,0,1,0,1|2,0,0]=4 190 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,0,0,1,0,1|1,0,0]=3 191 B9R1.3 CC1NCCN(C)C1=O 9620AH [0,1,0,1,0,0|2,0,0]=4 192 B9R1.3 CN1CCCC(N)C1=O 2118AJ [0,1,0,1,0,0|2,0,0]=4 193 B9R1.15 O=CC1CCCCC1=O 0719AD [0,1,0,1,0,0|1,1,0]=4 194 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,1,0,1,0,0|2,0,0]=4 195 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,1,0,1,0,0|1,0,0]=3 196 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,1,0,1,0,0|1,0,0]=3 197 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,1,0,1,0,0|1,0,0]=3 198 B9R1.40 CC1(C)CNCCC1=O 2067AJ [0,1,0,1,0,0|2,0,0]=4 199 B9R1.40 CC1(C)COCCC1=O 9422AB [0,1,0,1,0,0|2,0,0]=4 200 B9R1.106 C[C@]1(O)C(=O)OC[C@H]1O 9656AA [0,1,0,1,0,0|0,1,0]=3 201 B9R1.112 CC(N)C(=O)NC1CC1 Z7308 [0,1,0,1,0,0|2,0,0]=4 202 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,2,0,0|2,0,0]=4 203 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [0,0,0,2,0,0|1,0,0]=3 204 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,2,0,0|2,0,0]=4