0 B9R0.34 CCOC(=O)CC(=O)NN 3274AB [0,0,0,0,0,0|3,0,1]=4 1 B9R0.34 CCOC(=O)CC(=O)NN 9988AL [0,0,0,0,0,0|3,0,1]=4 2 B9R0.34 CCOC(=O)CC(N)=NO 2279AF [0,0,0,0,0,0|3,0,1]=4 3 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.34 CCOC(=O)\C=C(\C)NC X6618 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.1 C=CCCC(=O)OCC 7864AL [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 C=CCOC(=O)OCC 7327AL [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 CCCCC(O)CCC 7995AF [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 CCCOC(=O)CCC 9026AJ [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCOC(=O)CCC#N 7342AC [1,0,0,0,0,0|1,0,1]=3 10 B8R0.1 CCOC(=O)CCCI 1537AC [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)CCNC 7579AD [1,0,0,0,0,0|1,0,0]=2 12 B8R0.1 CCOC(=O)NCCCl S838 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.5 CC(C)NC(=O)CCCl 7774AD [1,0,0,0,0,0|3,0,0]=4 14 B8R0.5 CC(C)OC(=O)CCS 6074AL [1,0,0,0,0,0|3,0,0]=4 15 B8R0.5 CCOC(=O)CC(=N)N W7089 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.5 CCOC(=O)CC(C)N W6751 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.5 CCOC(=O)CC(N)=S 6448AA [1,0,0,0,0,0|2,0,1]=4 18 B8R0.19 CCC(C)CC(O)CC 7996AF [1,0,0,0,0,0|0,0,2]=3 19 B8R0.19 CCC(C)NC(=O)CCl 0194AE [1,0,0,0,0,0|2,0,0]=3 20 B8R0.19 CCC(C)SC(C)CC 8003AF [1,0,0,0,0,0|2,0,1]=4 21 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,0,0,0,0,0|1,0,0]=2 22 B8R0.19 COC(=O)CN(C)C=O V7303 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.2 CCOC(=N)CC(=N)OCC 0828AA [0,1,0,0,0,0|2,0,1]=4 24 B10R0.26 CCOC(=O)CC(=O)C(C)Br 1634AE [0,1,0,0,0,0|1,0,1]=3 25 B10R0.26 CCOC(=O)CN(C)C(=N)N Z1947 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.35 CCOC(=O)C(=O)N(C)OC 6673AJ [0,1,0,0,0,0|2,0,1]=4 27 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC 6583AJ [0,1,0,0,0,0|0,0,0]=1 28 B10R1.137 CCOC(=O)C=C1CCC1 2660AB [0,0,0,1,0,0|0,0,2]=3 29 B10R1.137 CCOC(=O)C=C1COC1 W9531 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,0,0,1,0,0|0,0,0]=1 31 B8R0.3 CCCC(=O)N(C)OC 1862AA [0,0,0,0,1,0|3,0,0]=4 32 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,0,0,0,1,0|1,0,1]=3 33 B8R0.3 CCOC(=O)C(C)CN X7010 [0,0,0,0,1,0|1,0,0]=2 34 B8R0.3 CCOC(=O)C(Cl)CCl 7382AF [0,0,0,0,1,0|2,0,0]=3 35 B8R0.3 CCOC(=O)C(Cl)CCl X7347 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.3 CCOC(=O)C(N)C#N X3969 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.3 CCOC(=O)C(O)CC 5067AH [0,0,0,0,1,0|1,0,0]=2 38 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|1,0,1]=4 39 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|2,0,0]=4 40 B7R0.3 CCCCC(=O)CC 7786AF [2,0,0,0,0,0|0,0,0]=2 41 B7R0.3 CCCCC(=O)NN X5269 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.3 CCCCC(Br)CC 6006AL [2,0,0,0,0,0|1,0,1]=4 43 B7R0.3 CCCNC(=O)CN V6930 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCOC(=O)CBr U694 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.3 CCCOC(=O)CC 7524AF [2,0,0,0,0,0|1,0,0]=3 46 B7R0.3 CCOCC(O)CCl 5717AB [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 COC(=O)CCCN 3563AL [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCNC(=O)CCCl 3193AE [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 CCOC(=O)OCCl Z4637 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.2 CC(C)NC(=O)CN 6712AE [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)OC(=O)CN Y6052 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.2 CCC(=O)CC(C)C 9385AB [2,0,0,0,0,0|0,0,0]=2 53 B7R0.2 CCC(=O)OC(C)C 7522AF [2,0,0,0,0,0|1,0,0]=3 54 B7R0.2 CCC(C)OC(C)=O 7525AF [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 CCC(N)CC(=O)O W4035 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.2 CCN(C)CC(=O)O 9048AE [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [2,0,0,0,0,0|0,0,0]=2 58 B7R0.2 COC(=O)CC(C)C 8842AJ [2,0,0,0,0,0|0,0,0]=2 59 B7R0.2 COC(=O)CN(C)C X7323 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [2,0,0,0,0,0|2,0,0]=4 63 B9R0.5 C=COC(=O)CCCCC 7945AF [1,1,0,0,0,0|0,0,2]=4 64 B9R0.5 CCOC(=O)COCCCl W3753 [1,1,0,0,0,0|1,0,0]=3 65 B9R0.8 CCCCC(=O)N(C)OC 5475AA [1,1,0,0,0,0|2,0,0]=4 66 B9R0.8 CCCOC(=O)C(C)CC 4721AB [1,1,0,0,0,0|2,0,0]=4 67 B9R0.18 CCCCS(=O)CCCC S178 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.18 CCCOS(=O)OCCC 7736AL [1,1,0,0,0,0|2,0,0]=4 69 B9R0.35 CCCC(=O)C(O)CCC 6732AB [1,1,0,0,0,0|1,0,0]=3 70 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.48 CCOC(=O)CCC(C)C 6706AH [1,1,0,0,0,0|0,0,0]=2 72 B9R0.48 CCOC(=O)CCC(N)=O 3830AL [1,1,0,0,0,0|1,0,1]=4 73 B9R0.6 CCOC(=O)C(=O)C(C)Br 5871AE [1,1,0,0,0,0|1,0,1]=4 74 B9R0.6 CCOC(=O)C(N)C(C)=O W4269 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O 5285AB [1,1,0,0,0,0|1,0,0]=3 76 B9R0.23 COC(=O)C(=O)CC(C)C X2959 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.44 CCNC(=O)OC(C)(C)C V5615 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.44 CCOC(=O)CC(C)(C)C 3423AL [1,1,0,0,0,0|0,0,0]=2 79 B9R0.44 CCOC(=O)CC(C)(C)N W8811 [1,1,0,0,0,0|0,0,0]=2 80 B9R0.53 CC(C)CC(=O)CC(C)C 1756AA [1,1,0,0,0,0|1,0,0]=3 81 B9R0.53 CC(C)NC(=O)NC(C)C 2911AE [1,1,0,0,0,0|2,0,0]=4 82 B9R0.53 CC(C)OS(=O)OC(C)C 6518AB [1,1,0,0,0,0|2,0,0]=4 83 B9R0.1 CCC(C)CCOC(C)=O 6119AL [1,1,0,0,0,0|0,0,2]=4 84 B9R0.20 CCCCCC(C)(C)CC 5877AL [1,1,0,0,0,0|1,0,1]=4 85 B9R0.22 CCC(C)(C)NC(=O)CCl 2332AE [1,1,0,0,0,0|2,0,0]=4 86 B9R0.26 CCN(CC)CC(=O)OC 8433AL [1,1,0,0,0,0|1,0,0]=3 87 B9R0.19 CCOC(=O)C(C)(C)CN 4058AJ [0,1,0,0,1,0|1,0,0]=3 88 B9R0.19 CCOC(=O)C(C)(C)CN V7825 [0,1,0,0,1,0|1,0,0]=3 89 B9R0.19 CCOC(=O)C(C)(C)CO W3060 [0,1,0,0,1,0|1,0,0]=3 90 B9R0.19 CCOC(=O)C(F)(F)CBr X0330 [0,1,0,0,1,0|2,0,0]=4 91 B9R0.37 CCOC(=O)C(C#N)CC 8192AA [0,1,0,0,1,0|0,0,1]=3 92 B9R0.37 CCOC(=O)C(CBr)CBr 8678AB [0,1,0,0,1,0|1,0,0]=3 93 B11R0.9 CCOC(=O)\C=C\C(OC)OC 2427AA [0,1,0,0,0,1|1,0,1]=4 94 B11R0.62 CCOC(=O)CSC(=O)OCC 4982AE [0,1,0,0,0,1|1,0,1]=4 95 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,2,0,0,0,0|1,0,1]=4 96 B11R0.1 CCOC(=O)CC(C)OC(C)=O 7790AL [0,2,0,0,0,0|0,0,1]=3 97 B11R0.54 CCOC(=O)CC(C)C(F)(F)F 4468AF [0,2,0,0,0,0|1,0,0]=3 98 B11R0.54 CCOC(=O)CC(O)C(F)(F)F V5565 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.119 CC(CN)NC(=O)OC(C)(C)C 7463AA [0,2,0,0,0,0|2,0,0]=4 100 B11R0.119 C[C@@H](CN)NC(=O)OC(C)(C)C 6716AC [0,2,0,0,0,0|2,0,0]=4 101 B11R0.119 C[C@H](CN)NC(=O)OC(C)(C)C X8533 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.2 CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|1,0,0]=3 103 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.15 COC1CCCCC1=O 5686AL [1,0,0,1,0,0|2,0,0]=4 105 B9R1.33 O=C1OCCN1CCO 0596AE [1,0,0,1,0,0|2,0,0]=4 106 B9R1.48 O=C1CCCCC(=O)O1 0435AB [1,0,0,1,0,0|1,0,1]=4 107 B9R1.49 CN1CCNC(=O)CC1 3270AC [1,0,0,1,0,0|2,0,0]=4 108 B9R1.49 CN1CCNC(=O)CC1 W6867 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.73 CCOC(=O)C1CCC1 V0726 [1,0,0,1,0,0|0,0,0]=2 110 B9R1.73 CCOC(=O)C1CNC1 W6099 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [1,0,0,1,0,0|2,0,0]=4 112 B9R1.34 CC1CC(=O)OC(=O)C1 6113AL [1,0,0,1,0,0|1,0,1]=4 113 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.66 CC1(O)CCOC(=O)C1 I616 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.118 CC1(CO)CCOCC1 2523AJ [1,0,0,1,0,0|1,0,1]=4 116 B9R1.118 CC[N+]1(C)CCOCC1 0099AC [1,0,0,1,0,0|1,0,1]=4 117 B9R1.23 CN1CC(CO)CC1=O 8923AB [1,0,0,1,0,0|2,0,0]=4 118 B9R1.113 COC(=O)CC1(N)CC1 X6363 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.74 CCOC(=O)C1(C)CC1 W8035 [0,0,0,1,1,0|0,0,0]=2 120 B11R1.15 CCOC(=O)C1CCC(=O)C1 W6832 [0,0,0,1,0,1|1,0,1]=4 121 B11R1.15 CCOC(=O)C1CCN(C)C1 4346AD [0,0,0,1,0,1|1,0,0]=3 122 B11R1.15 CCOC(=O)N1CCC(=O)C1 3645AH [0,0,0,1,0,1|1,0,1]=4 123 B11R1.30 CCOC(=O)CC1CCCC1 9596AA [0,1,0,1,0,0|0,0,0]=2 124 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|0,0,0]=2 125 B11R1.30 CCOC(=O)CN1CCCC1 7520AD [0,1,0,1,0,0|1,0,0]=3 126 B11R1.187 CCN1CC(CNC)CC1=O X2048 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.199 CCOC(=O)C1CCNC1=O Z1996 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.199 CCOC(=O)C1COCC1=O 4919AC [0,1,0,1,0,0|1,0,1]=4 129 B11R1.199 CCOC(=O)C1CSCC1=O 2316AC [0,1,0,1,0,0|1,0,1]=4 130 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,1,0,1,0,0|1,0,0]=3 131 B11R1.840 CCOC(=O)CC1(N)COC1 3610AA [0,1,0,1,0,0|1,0,0]=3 132 B11R1.222 CCC(C)C1CCCCC1=O 7346AA [0,1,0,1,0,0|1,0,0]=3 133 B11R1.166 CC1CCC(C(C)C)C(=O)C1 5752AF [0,1,0,1,0,0|1,0,0]=3 134 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [1,0,0,0,1,0|2,0,0]=4 135 B7R0.5 CCOC(=O)C(F)Cl 2611AE [1,0,0,0,1,0|2,0,0]=4 136 B7R0.5 CCOC(=O)C(F)I 2612AE [1,0,0,0,1,0|2,0,0]=4 137 B7R0.10 CCC(C)C(=O)NN 8409AE [1,0,0,0,1,0|2,0,0]=4 138 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,0,0,0,1,0|1,0,0]=3 139 B7R0.10 CNC(C)C(=O)OC 4207AJ [1,0,0,0,1,0|1,0,0]=3 140 B7R0.10 CN[C@@H](C)C(=O)OC V5398 [1,0,0,0,1,0|1,0,0]=3 141 B7R0.10 COC(=O)C(C)OC X3976 [1,0,0,0,1,0|1,0,0]=3 142 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,0,0,0,1,0|1,0,0]=3 143 B7R0.10 COC(=O)[C@@H](O)CO X8639 [1,0,0,0,1,0|2,0,0]=4 144 B7R0.10 COC(=O)[C@H](C)CBr 4182AL [1,0,0,0,1,0|1,0,0]=3 145 B7R0.10 COC(=O)[C@H](C)CO X3275 [1,0,0,0,1,0|1,0,0]=3 146 B7R0.10 COC(=O)[C@H](N)CCl 2170AA [1,0,0,0,1,0|2,0,0]=4 147 B7R0.10 COC(=O)[C@H](N)CS 8434AE [1,0,0,0,1,0|2,0,0]=4 148 B7R0.10 COC(=O)[C@H](O)CO 9042AH [1,0,0,0,1,0|2,0,0]=4 149 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [1,0,0,0,1,0|0,0,2]=4