0 B7R0.5 C=C(C)C(=O)NCO V0404 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CC(=O)C(Cl)CCO X4477 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCCC(O)C(C)=O X3438 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.5 CCOC(=O)N(Cl)Cl P945 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 CCOC(F)=C(F)F 5892AD [0,0,0,0,0,0|4,0,0]=4 8 B7R0.5 CNC[C@H](N)C(=O)O Q369 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 FC(F)=C(F)CCCl 1990AE [0,0,0,0,0,0|4,0,0]=4 11 B7R0.5 NC(CCBr)C(=O)O 0872AA [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 O=C(Br)C(Br)CCBr 7393AB [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 C=CC(=O)COC S897 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CCCC(N)CC 7574AF [1,0,0,0,0,0|1,0,2]=4 16 B6R0.1 CCOC(=O)CF C411 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 COC(=O)CCN 5700AB [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 C=C(C)C(=O)OC P536 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 C=C(C)C(C)CC 7776AF [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 CC[C@H](C)C(=O)O Z9667 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 COC(=O)C(C)N X3707 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 COC(=O)C(N)=O L906 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(C)=CCCBr 1398AB [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(C)=CCON 4432AJ [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,0,0,0,0|0,0,1]=2 26 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.3 CCNC(C)C(=O)OC 4206AJ [0,1,0,0,0,0|2,0,1]=4 28 B8R0.8 C=C(C)C(=O)OCCN 1927AC [0,1,0,0,0,0|2,0,0]=3 29 B8R0.8 CC(=O)C(C)CCC#N 7950AC [0,1,0,0,0,0|1,0,2]=4 30 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,1,0,0,0,0|2,0,1]=4 31 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,1,0,0,0,0|2,0,1]=4 32 B8R0.8 NCCCC(N)C(=O)O U283 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,1,0,0,0,0|2,0,1]=4 34 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,1,0,0,0,0|2,0,1]=4 36 B8R0.12 CCCC(C)(C)C(=O)Cl U535 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.15 CCCC(NC)C(=O)O 0624AP [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 C=C(CN(C)C)C(C)=O 9427AJ [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)CC(=O)C(=O)[O-] 9511AJ [0,1,0,0,0,0|1,0,0]=2 40 B8R1.5 CC1CCNCC1=O 2896AJ [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 O=C1CCOCC1Br 4586AF [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,0,0,1,0,0|2,0,1]=4 43 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,0,0,1,0,0|1,0,1]=3 44 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,0,0,0,0,1|0,0,0]=1 45 B8R0.5 CCCC(C)OC(C)=O 1658AL [0,0,0,0,0,1|1,0,1]=3 46 B8R0.5 CCN\C(C)=C\C(C)=O 8145AJ [0,0,0,0,0,1|2,0,0]=3 47 B8R0.5 CCOC(=O)OC(C)I 9891AH [0,0,0,0,0,1|2,0,1]=4 48 B5R0.1 CC(=O)CCS U742 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 CCCC(=O)[O-] M135 [2,0,0,0,0,0|0,0,1]=3 50 B5R0.1 CCCC(C)I 7327AF [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CCO[PH](C)=O 8330AA [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 C=C\C=C\CC 4582AL [2,0,0,0,0,0|0,0,2]=4 53 B5R0.2 CCO\C=C/Br 7961AD [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 COCCC=O Y8542 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 C\C=C\CC#N 6148AL [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 C\C=C\C[Mg]Cl Z2523 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 C=CC(=O)CBr V2439 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.3 C=CC(=O)CCl 0235AP [2,0,0,0,0,0|1,0,1]=4 59 B5R0.3 CCC(=O)CN 2095AC [2,0,0,0,0,0|1,0,1]=4 60 B5R0.3 COC(=O)C=O Y1686 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.3 COC(=O)CN W7382 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(=O)C(C)Br V0402 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.5 O=C(O)C(=O)O 6148AH [2,0,0,0,0,0|2,0,0]=4 64 B5R0.5 O=C(O)C(=O)O 9022AJ [2,0,0,0,0,0|2,0,0]=4 65 B5R0.5 O=C([O-])C(=O)O 6896AF [2,0,0,0,0,0|2,0,0]=4 66 B5R0.5 O=C([O-])C(=O)O 6897AF [2,0,0,0,0,0|2,0,0]=4 67 B5R0.5 O=C([O-])C(=O)[O-] 6911AF [2,0,0,0,0,0|2,0,0]=4 68 B5R0.5 O=C([O-])C(=O)[O-] 6912AF [2,0,0,0,0,0|2,0,0]=4 69 B5R0.5 O=C([O-])C(=O)[O-] 6914AF [2,0,0,0,0,0|2,0,0]=4 70 B5R0.5 O=C([O-])C(=O)[O-] 9972AL [2,0,0,0,0,0|2,0,0]=4 71 B5R0.5 O=C([O-])C(=O)[O-] L963 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.5 O=C([O-])C(=O)[O-] X6823 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.5 O=C([O-])C(=O)[O-] Z1768 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)CC(=O)CBr Y8593 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.3 CCCOC(=O)CCl U589 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.3 CCCOC(=O)CN 3440AL [1,1,0,0,0,0|1,0,1]=4 77 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.3 COC(=O)CCCO 3568AL [1,1,0,0,0,0|1,0,0]=3 79 B7R0.3 C\C=C(/C)CCCC 6098AL [1,1,0,0,0,0|1,0,0]=3 80 B7R0.7 CCCC(=S)OCC R545 [1,1,0,0,0,0|0,1,1]=4 81 B7R0.7 CCCS(=O)CCC 7566AF [1,1,0,0,0,0|1,0,1]=4 82 B7R0.7 CCNC(=O)OCC 7331AF [1,1,0,0,0,0|1,0,1]=4 83 B7R0.7 CCOC(=O)CCN 5625AC [1,1,0,0,0,0|1,0,1]=4 84 B7R0.7 CCOC(=O)N=C=O X3467 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.7 O=C(CCBr)CCBr 6817AA [1,1,0,0,0,0|1,0,1]=4 86 B7R0.7 O=C(CCCl)CCCl R711 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.7 O=C=NC(=O)CCBr Y8100 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.10 CCC(C)C(=O)SC U625 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.10 COC(=O)C(Br)CF 4787AD [1,1,0,0,0,0|2,0,0]=4 90 B7R0.10 COC(=O)C(C)CN X3684 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.10 COC(=O)C(N)CO 0759AB [1,1,0,0,0,0|2,0,0]=4 92 B7R0.10 COC(=O)C(O)OC 0175AB [1,1,0,0,0,0|2,0,0]=4 93 B7R0.15 CCN(N=O)C(N)=O 9828AF [1,1,0,0,0,0|2,0,0]=4 94 B7R0.4 CC(=O)OCCC=O 9702AA [1,1,0,0,0,0|1,0,1]=4 95 B7R0.4 CCCC=C[N+](=O)[O-] 9974AL [1,1,0,0,0,0|2,0,0]=4 96 B7R0.4 CCC\C=C\C(C)C 7959AF [1,1,0,0,0,0|1,0,1]=4 97 B7R0.4 C\C=C\COC(C)=O 7476AF [1,1,0,0,0,0|1,0,1]=4 98 B9R0.4 CC(=O)CC(=O)OCCCl 7886AB [0,1,0,0,0,1|1,0,0]=3 99 B9R0.35 CCCC(O)C(=O)OCC 7801AF [0,2,0,0,0,0|0,0,2]=4 100 B9R0.35 CCOC(=O)C(C)N=C=O 4062AD [0,2,0,0,0,0|1,0,1]=4 101 B9R0.35 CCOC(=O)C(C)NC=O Z3188 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.7 C=C(C)COC(=O)C(=C)C O816 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.7 CC(C)COC(=O)C(C)O R139 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.7 CC(C)COC(=O)[C@H](C)Cl R141 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] V1642 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [0,2,0,0,0,0|0,0,0]=2 108 B9R0.47 CCCCOC(=O)C(C)=O P531 [0,2,0,0,0,0|0,0,0]=2 109 B9R0.33 CCCC(C(C)=O)C(C)=O 7942AF [0,2,0,0,0,0|0,0,1]=3 110 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,1,0,0|0,0,1]=3 111 B7R1.3 C=C1CCCCC1 3293AA [1,0,0,1,0,0|1,0,1]=4 112 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|1,0,1]=4 113 B7R1.3 O=S1CCCCC1 V2389 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.4 CC1=C(S)CCO1 R544 [1,0,0,1,0,0|1,1,0]=4 115 B7R1.22 COC(=O)[C@@H]1CN1 1314AL [1,0,0,1,0,0|2,0,0]=4 116 B9R1.7 O=C1CC=C(CCO)O1 3979AC [0,0,0,1,0,1|2,0,0]=4 117 B9R1.34 C[C@H]1CC(=O)C[C@H](C)N1 4678AJ [0,0,0,1,0,1|1,0,1]=4 118 B9R1.41 O=C(O)C1CCCC1=O 4522AE [0,0,0,1,0,1|1,0,0]=3 119 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 4755AJ [0,1,0,1,0,0|1,0,1]=4 120 B9R1.5 O=C1CCCCCC1Br 9448AE [0,1,0,1,0,0|1,0,1]=4 121 B9R1.11 COC(=O)C1=NCCC1 8402AB [0,1,0,1,0,0|1,0,0]=3 122 B9R1.11 COC(=O)[C@H]1CCCN1 5950AB [0,1,0,1,0,0|1,0,1]=4 123 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,1,0,1,0,0|2,0,0]=4 124 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,1,0,1,0,0|1,0,0]=3 125 B9R0.48 CC(=O)NNC(=O)CC#N X5065 [0,0,0,0,0,2|1,0,1]=4 126 B9R0.48 CCOC(=O)\C=C\C(=O)Cl V0861 [0,0,0,0,0,2|2,0,0]=4