0 B6R0.6 C#CCOCCN 4990AL [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CC=C=CCCO 1076AQ [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CCCSCCN 1695AE [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 N#CCCCCS 1133AQ [0,0,0,0,0,0|2,1,1]=4 4 B6R0.6 NNCCCCO 2732AL [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CCC#CCCl 4814AL [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 CCSCCN 4637AB [1,0,0,0,0,0|2,0,0]=3 7 B5R0.2 O=CNCCO 0539AQ [1,0,0,0,0,0|0,0,2]=3 8 B5R0.2 OC\C=C\CCl 9318AA [1,0,0,0,0,0|1,0,2]=4 9 B5R0.2 OC\C=C\CO Z3450 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.1 CCCCCCNC Y1198 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.1 CCCCNCCC 6811AD [0,1,0,0,0,0|2,0,0]=3 12 B7R0.1 COCCCCCBr Y7509 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.3 CCCOC(C)CN 1653AF [0,1,0,0,0,0|3,0,0]=4 14 B7R0.3 COCO[C@@H](C)CO X7350 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.4 CC(O)CCCCO 7560AF [0,1,0,0,0,0|1,0,0]=2 16 B7R0.4 CCCCC[C@@H](C)N Z2122 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.4 NCCNCC(=O)O W4767 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,0,0,0,0|2,0,0]=3 19 B7R0.7 CCC[C@H](N)CCO 9828AB [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 BrCC1CCCN1 X4014 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.1 C#C[C@@H]1CCCN1 1083AL [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 CCC1OCCO1 8516AD [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 ClCC1CCCN1 1675AJ [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 ClC[C@H]1CCCN1 8958AH [0,0,0,1,0,0|2,0,0]=3 25 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,0,0,1,0,0|2,0,0]=3 26 B7R1.1 FC[C@@H]1CCCN1 2327AC [0,0,0,1,0,0|2,0,0]=3 27 B7R1.1 N#CC1CCCN1 3470AA [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 BrC1CCCNC1 7813AB [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 CC1=NCCNC1 3262AJ [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 ClC1CCCNC1 5322AH [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 ClC1CCCNC1 X3740 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 O=C1CNCCO1 W6328 [0,0,0,1,0,0|0,0,2]=3 35 B7R1.3 OC1C=CCNC1 9590AH [0,0,0,1,0,0|1,0,1]=3 36 B7R1.4 BrC1CCCC1Br 1288AQ [0,0,0,1,0,0|3,0,0]=4 37 B7R1.4 CC1CNCC1C 1532AC [0,0,0,1,0,0|2,0,0]=3 38 B7R1.4 CC1CNCC1C 7526AB [0,0,0,1,0,0|2,0,0]=3 39 B7R1.4 NC1CCCC1N 3230AL [0,0,0,1,0,0|3,0,0]=4 40 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 O[C@H]1COC[C@@H]1O 1117AL [0,0,0,1,0,0|1,0,0]=2 42 B7R1.7 COCNC1CC1 X2089 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.7 OCCCC1CC1 8212AB [0,0,0,1,0,0|2,0,0]=3 44 B7R1.24 C1=CCCNCC1 X2002 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.24 C1CCCOCC1 8040AL [0,0,0,1,0,0|2,0,0]=3 46 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 47 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 CNCCBr 8487AH [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 CNCCF 1721AJ [2,0,0,0,0,0|1,0,0]=3 50 B4R0.2 CNCCF 8506AH [2,0,0,0,0,0|1,0,0]=3 51 B4R0.2 CSCCN 6224AD [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 C\C=C/CO 5583AB [2,0,0,0,0,0|0,0,2]=4 53 B6R0.1 CC(CN)CCN 8800AC [1,1,0,0,0,0|2,0,0]=4 54 B6R0.1 CCCC(Cl)CC 6028AL [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 CCCC(Cl)CCl 7311AF [1,1,0,0,0,0|2,0,0]=4 56 B6R0.1 CCNC(C)CO 8218AD [1,1,0,0,0,0|0,0,0]=2 57 B6R0.1 CCOC(C)CO 2072AL [1,1,0,0,0,0|1,0,0]=3 58 B6R0.1 CCOC(Cl)CCl V0733 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 COC[C@H](C)CO 5230AC [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 OCC[C@@H](O)CO W7968 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.4 CC(C)=CCCO 1893AC [1,1,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(N)CCCN U481 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCC[Sn](=O)O 8518AL [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 CCOCC(C)N 0535AD [1,1,0,0,0,0|2,0,0]=4 65 B8R0.1 CCCC[C@H](N)CCO 2562AA [0,2,0,0,0,0|2,0,0]=4 66 B8R0.6 CCCCCC(O)CCl 7654AB [0,2,0,0,0,0|2,0,0]=4 67 B8R0.6 CC[C@H](C)CCCCO 4205AL [0,2,0,0,0,0|2,0,0]=4 68 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,2,0,0,0,0|0,0,1]=3 69 B8R0.21 CC(F)(F)CNCCO 5535AB [0,2,0,0,0,0|1,0,0]=3 70 B8R0.22 CCCN(CC)CCC 8455AL [0,2,0,0,0,0|2,0,0]=4 71 B8R0.30 CC(C)(CCO)CCO 7531AB [0,2,0,0,0,0|1,0,0]=3 72 B6R1.1 C1CSCCS1 U566 [1,0,0,1,0,0|1,1,0]=4 73 B6R1.2 BrC1CCNC1 Z2707 [1,0,0,1,0,0|1,0,0]=3 74 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|1,0,1]=4 75 B6R1.2 ClC1CCOC1 X2032 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.2 OC1CCSC1 Y1949 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.2 OC1CNOC1 0177AF [1,0,0,1,0,0|1,0,0]=3 78 B6R1.8 CCC1CC1N 1705AJ [1,0,0,1,0,0|2,0,0]=4 79 B8R1.2 BrCC1CCCCO1 Z3437 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.2 BrCC1CCCNC1 5702AJ [0,1,0,1,0,0|2,0,0]=4 81 B8R1.2 BrCC1CCCNC1 7322AC [0,1,0,1,0,0|2,0,0]=4 82 B8R1.2 CC[C@@H]1CNCCN1 W6295 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.2 CC[C@@H]1CNCCO1 5802AA [0,1,0,1,0,0|1,0,0]=3 84 B8R1.2 CC[C@H]1CNCCO1 1583AC [0,1,0,1,0,0|1,0,0]=3 85 B8R1.2 ClCC1CCCCO1 9636AA [0,1,0,1,0,0|2,0,0]=4 86 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 N#CC1CNCCN1 9783AA [0,1,0,1,0,0|2,0,0]=4 88 B8R1.2 N#CC1CNCCO1 6389AA [0,1,0,1,0,0|1,0,0]=3 89 B8R1.2 N#CC1COCCN1 6801AC [0,1,0,1,0,0|1,0,1]=4 90 B8R1.2 N#CC1COCCO1 7312AA [0,1,0,1,0,0|2,0,0]=4 91 B8R1.2 N#C[C@H]1CNCCN1 4124AA [0,1,0,1,0,0|2,0,0]=4 92 B8R1.2 NCC1COCCN1 5822AC [0,1,0,1,0,0|1,0,0]=3 93 B8R1.5 CC1CCNCC1O 2894AJ [0,1,0,1,0,0|1,0,0]=3 94 B8R1.5 CC1NCCNC1C 0452AF [0,1,0,1,0,0|2,0,0]=4 95 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,1,0,1,0,0|1,0,0]=3 96 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,1,0,1,0,0|2,0,0]=4 97 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,1,0,1,0,0|2,0,0]=4 98 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,1,0,1,0,0|2,0,0]=4 99 B8R1.5 O=C1NCCC[C@H]1O 1192AB [0,1,0,1,0,0|1,0,1]=4 100 B8R1.5 O[C@H]1CNCC[C@H]1O 5209AB [0,1,0,1,0,0|0,0,0]=2 101 B8R1.8 ClCCC1OCCO1 6026AB [0,1,0,1,0,0|2,0,0]=4 102 B8R1.8 NCCC1CCOC1 0563AC [0,1,0,1,0,0|2,0,0]=4 103 B8R1.8 O=CCC1OCCO1 5104AC [0,1,0,1,0,0|1,0,1]=4 104 B8R1.8 OCCC1CCCN1 1282AJ [0,1,0,1,0,0|1,0,0]=3 105 B8R1.8 OCCC1CCCN1 1283AJ [0,1,0,1,0,0|1,0,0]=3 106 B8R1.10 OCCCC1COC1 1984AB [0,1,0,1,0,0|1,0,0]=3 107 B8R1.11 NCC1CCCC1O 3854AC [0,1,0,1,0,0|2,0,0]=4 108 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [0,1,0,1,0,0|2,0,0]=4 109 B8R1.22 CC1CCCNCC1 2641AE [0,1,0,1,0,0|2,0,0]=4 110 B8R1.22 O=C1COCCCN1 1535AL [0,1,0,1,0,0|1,0,1]=4 111 B8R1.36 CCCCCC1CO1 4463AL [0,1,0,1,0,0|2,0,0]=4 112 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.3 C[C@@H]1CN[C@H](C)CN1 9509AB [0,1,0,1,0,0|2,0,0]=4 114 B8R1.3 C[C@@H]1CO[C@H](C)CN1 2239AA [0,1,0,1,0,0|1,0,0]=3 115 B8R1.3 C[C@H]1CO[C@@H](C)CN1 4899AA [0,1,0,1,0,0|1,0,0]=3 116 B8R1.3 C[C@H]1CO[C@H](C)CN1 2238AA [0,1,0,1,0,0|1,0,0]=3 117 B8R1.4 CN1CCCC(Br)C1 Z2702 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,1,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@H]1CNC[C@H](C)N1 5394AB [0,1,0,1,0,0|2,0,0]=4 120 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [0,1,0,1,0,0|2,0,0]=4 121 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [0,1,0,1,0,0|2,0,0]=4 122 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [0,1,0,1,0,0|2,0,0]=4 123 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [0,1,0,1,0,0|2,0,0]=4 124 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [0,1,0,1,0,0|2,0,0]=4 125 B8R1.34 O=C(O)CN1CCC1 1240AJ [0,1,0,1,0,0|1,0,1]=4 126 B8R1.34 O=C(O)CN1CCC1 9681AH [0,1,0,1,0,0|1,0,1]=4 127 B8R2.34 C1NC2CNC1C2 8401AH [0,0,0,2,0,0|2,0,0]=4 128 B8R2.34 C1OC2CNC1C2 2689AB [0,0,0,2,0,0|1,0,0]=3 129 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 8384AH [0,0,0,2,0,0|2,0,0]=4 130 B8R2.23 C1NCC2CC1C2 2816AB [0,0,0,2,0,0|2,0,0]=4 131 B8R2.23 C1NCC2CC1O2 Y7074 [0,0,0,2,0,0|1,0,0]=3 132 B8R2.25 C1CC2CC2CN1 2159AJ [0,0,0,2,0,0|2,0,0]=4 133 B8R2.25 C1CNC2CC2C1 1556AJ [0,0,0,2,0,0|2,0,0]=4