0 B5R0.3 C#CC(O)C#C 8280AB [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C#CC(O)C=C 4300AD [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=C[C@@H](N)CO 3384AB [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC(CO)CBr Z3560 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CC[C@@H](C)CO 1205AL [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CC[SiH](C)CC 8570AJ [0,0,0,0,0,0|3,1,0]=4 6 B5R0.3 CN[C@H](C)CO X7939 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 COC(C)CN 8504AE [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 C[C@@H](CN)CO 1849AF [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 NC(CO)CO V0534 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.3 O=CC(O)CO 7054AF [0,0,0,0,0,0|0,0,2]=2 11 B5R0.3 OC(CI)CI 7596AB [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C=CB(O)O X3458 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|0,2,0]=3 16 B4R0.1 OCC(Cl)Cl X3582 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 CCSCC E138 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CNCCBr 8487AH [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 CNCCF 1721AJ [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CNCCF 8506AH [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 CSCCN 6224AD [1,0,0,0,0,0|3,0,0]=4 23 B4R0.2 C\C=C/CO 5583AB [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 CC(CN)CCN 8800AC [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CCCC(Cl)CC 6028AL [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CCCC(Cl)CCl 7311AF [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CCOC(C)CO 2072AL [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CCOC(Cl)CCl V0733 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CNCC(C)CN 8369AL [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 COCC(N)=NO 6397AC [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 COC[C@H](C)CO 5230AC [0,1,0,0,0,0|1,0,0]=2 34 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|0,0,0]=1 35 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [0,1,0,0,0,0|1,0,2]=4 36 B6R0.3 C[C@H](CN)C(=O)O 0884AB [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 C[C@H](CO)C(=O)O 9932AA [0,1,0,0,0,0|1,0,1]=3 38 B6R0.3 ClCC(Cl)C(Cl)Cl 4332AL [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 NC(CF)C(=O)O 8475AA [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 NCC(F)C(=O)O X2955 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,1,0,0,0,0|2,0,1]=4 43 B6R1.2 BrC1CCNC1 Z2707 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.2 OC1CCSC1 Y1949 [0,0,0,1,0,0|1,1,0]=3 46 B6R1.2 OC1CNOC1 0177AF [0,0,0,1,0,0|1,0,0]=2 47 B6R1.6 ClCC1COC1 2027AJ [0,0,0,1,0,0|2,0,0]=3 48 B6R1.7 CC1(CO)CC1 8973AD [0,0,0,1,0,0|2,0,0]=3 49 B6R1.7 NCC1(N)CC1 9517AH [0,0,0,1,0,0|3,0,0]=4 50 B6R1.7 NCC1(N)CC1 9518AH [0,0,0,1,0,0|3,0,0]=4 51 B6R1.8 CCC1CC1N 1705AJ [0,0,0,1,0,0|3,0,0]=4 52 B3R0.1 FCCF 6901AE [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 NCCN Y1426 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.2 CC(=O)O O309 [2,0,0,0,0,0|0,0,2]=4 55 B3R0.2 O=[Si](O)O 8695AF [2,0,0,0,0,0|0,1,1]=4 56 B5R0.1 CC(C)CNN X2968 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.1 CC(O)CNN 6211AD [1,1,0,0,0,0|1,0,0]=3 58 B5R0.1 C[C@H](N)CC#N 0475AC [1,1,0,0,0,0|2,0,0]=4 59 B5R0.1 C[C@H](O)CC#N 4512AA [1,1,0,0,0,0|1,0,0]=3 60 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.5 C[C@H](O)[C@H](C)O H556 [1,1,0,0,0,0|0,0,0]=2 62 B5R0.2 CCSCCN 4637AB [1,1,0,0,0,0|2,0,0]=4 63 B5R0.2 O=CNCCO 0539AQ [1,1,0,0,0,0|0,0,2]=4 64 B5R0.2 OC\C=C\CCl 9318AA [1,1,0,0,0,0|1,0,1]=4 65 B5R0.2 OC\C=C\CO Z3450 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|2,0,0]=4 67 B7R0.2 CC[C@@H](C)CC(=O)O 8695AA [0,2,0,0,0,0|2,0,0]=4 68 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,2,0,0,0,0|2,0,0]=4 69 B7R0.2 NC[C@@H](N)CC(=O)O 6866AA [0,2,0,0,0,0|2,0,0]=4 70 B7R0.2 NC[C@H](N)CC(=O)O 6865AA [0,2,0,0,0,0|2,0,0]=4 71 B7R0.3 C=CCCC(O)CCl 0700AA [0,2,0,0,0,0|2,0,0]=4 72 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.5 CCOC(O)C(F)F 7426AA [0,2,0,0,0,0|2,0,0]=4 74 B7R0.5 COCC(N)C(C)C 0220AD [0,2,0,0,0,0|2,0,0]=4 75 B7R0.5 COC[C@@H](N)C(C)C 8567AH [0,2,0,0,0,0|2,0,0]=4 76 B7R0.5 COC[C@H](N)C(C)C 8543AH [0,2,0,0,0,0|2,0,0]=4 77 B7R0.7 CCC[C@H](N)CCO 0636AC [0,2,0,0,0,0|2,0,0]=4 78 B7R0.7 CCC[C@H](N)CCO 9828AB [0,2,0,0,0,0|2,0,0]=4 79 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,2,0,0,0,0|1,0,1]=4 80 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|1,0,1]=4 81 B7R0.10 NC[C@H](O)[C@H](O)CN 0205AQ [0,2,0,0,0,0|1,0,0]=3 82 B7R0.10 O=C[C@H](O)[C@@H](O)CO 6454AC [0,2,0,0,0,0|0,0,0]=2 83 B7R0.11 C#CCC(C)(C)CO 1568AA [0,2,0,0,0,0|2,0,0]=4 84 B7R0.14 C[C@@H](CO)C(C)(C)O 8935AE [0,2,0,0,0,0|1,0,0]=3 85 B7R0.14 NC[C@H](O)C(F)(F)F 5138AD [0,2,0,0,0,0|2,0,0]=4 86 B7R0.15 CC(C)C(CO)CO 2103AL [0,2,0,0,0,0|1,0,0]=3 87 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|2,0,0]=4 88 B7R0.15 NC[C@@H](CO)C(=O)O 5747AC [0,2,0,0,0,0|1,0,0]=3 89 B7R0.15 NC[C@H](CO)C(=O)O 4046AA [0,2,0,0,0,0|1,0,0]=3 90 B5R1.2 BrC1CNC1 1820AC [1,0,0,1,0,0|2,0,0]=4 91 B5R1.2 FC1CNC1 W7888 [1,0,0,1,0,0|2,0,0]=4 92 B5R1.2 FC1COC1 8722AD [1,0,0,1,0,0|1,0,0]=3 93 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|1,1,0]=4 94 B5R1.3 ICC1CO1 1811AL [1,0,0,1,0,0|1,0,0]=3 95 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 CCC1OCCO1 8516AD [0,1,0,1,0,0|2,0,0]=4 97 B7R1.1 CNC1CCOC1 2338AF [0,1,0,1,0,0|2,0,0]=4 98 B7R1.1 CN[C@H]1CCOC1 9230AH [0,1,0,1,0,0|2,0,0]=4 99 B7R1.1 NN[C@H]1CCOC1 8686AH [0,1,0,1,0,0|2,0,0]=4 100 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|1,0,0]=3 101 B7R1.2 C[C@@H]1C[C@@H](O)CN1 0634AC [0,1,0,1,0,0|2,0,0]=4 102 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|2,0,0]=4 103 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,1,0,0|2,0,0]=4 104 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [0,1,0,1,0,0|2,0,0]=4 105 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 O[C@H]1COC[C@@H]1O 1117AL [0,1,0,1,0,0|0,0,0]=2 108 B7R1.6 COCC1CNC1 6089AC [0,1,0,1,0,0|2,0,0]=4 109 B7R1.6 NCCC1COC1 4766AA [0,1,0,1,0,0|2,0,0]=4 110 B7R1.10 NCC1CC(O)C1 8510AA [0,1,0,1,0,0|2,0,0]=4 111 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|2,0,0]=4 112 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|2,0,0]=4 113 B7R1.21 CCOC1(O)CC1 6673AA [0,1,0,1,0,0|2,0,0]=4 114 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.19 CC1(C(=O)O)CO1 1809AJ [0,1,0,1,0,0|1,0,1]=4 116 B7R1.29 CCC1(CC)CO1 1848AL [0,1,0,1,0,0|2,0,0]=4 117 B7R1.29 CCC1(CCl)CO1 5040AL [0,1,0,1,0,0|2,0,0]=4 118 B7R2.13 C1=CC2OC2C1 1066AC [0,0,0,2,0,0|2,0,0]=4