0 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,0|1,0,3]=4 10 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,0|0,0,4]=4 12 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,0|1,0,1]=2 17 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,0|0,0,2]=2 18 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,0,0,0|0,0,4]=4 19 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,0|1,0,3]=4 22 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,0,0,0|0,0,2]=2 24 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,0|0,0,4]=4 25 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,0,0,0|0,0,2]=2 28 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,0,0,0|1,0,1]=2 29 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,0,0,0|1,0,3]=4 30 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,0,0,0|0,0,4]=4 31 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,0,0,0|1,0,3]=4 33 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,0,0,0|0,0,4]=4 34 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,0|1,0,3]=4 36 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,0,0,0|0,0,2]=2 37 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,0,0,0|1,0,1]=2 38 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,0,0,0|0,0,4]=4 39 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,0,0,0|0,0,4]=4 40 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,0,0,0|2,1,1]=4 41 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,0,0,0|1,0,0]=1 42 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.4 OC1=NC(=NCC1)O CNP0488616.0 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,0,0,0|0,0,3]=4 47 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|0,0,3]=4 48 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,2]=4 49 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,1]=2 50 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,3]=4 54 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,0,0,0|0,0,1]=2 55 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,0,0,0|0,0,3]=4 56 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,0,0,0|1,0,2]=4 58 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,0,0,0|0,0,3]=4 59 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|0,0,2]=3 63 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|1,0,2]=4 65 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,0,0,0|0,0,0]=1 67 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|1,0,2]=4 69 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|1,0,2]=4 70 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,0,0,0|0,0,2]=3 71 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,0,0,0|1,0,1]=3 72 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,0,0,0|0,0,2]=3 74 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,0,0,0|0,0,2]=3 80 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,0,0,0|1,0,2]=4 82 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,0,0,0|0,0,2]=3 83 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,0,0,0|0,0,2]=3 84 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [0,1,0,0,0,0|0,0,1]=2 85 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,0|0,0,3]=4 86 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,0|1,0,2]=4 90 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,0|0,0,3]=4 97 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,0,0,0|1,0,1]=3 98 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,0,0,0|1,0,2]=4 99 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,0,0,0|0,0,1]=2 101 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.34 CC1=CC(=O)NC(=S)N1 CNP0527451.0 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,0|1,0,2]=4 105 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,0,0,0|0,0,2]=3 110 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,0|1,0,2]=4 114 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,0|0,0,3]=4 115 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.69 CC1=CNC(C(=O)N1)C CNP0609428.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,0,0,0|1,0,1]=3 124 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,1,0,0,0|1,0,2]=4 127 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,1,0,0,0|1,0,2]=4 128 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,1,0,0,0|0,0,0]=1 129 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,1,0,0,0|1,0,0]=2 130 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,1,0,0,0|0,0,0]=1 131 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,1,0,0,0|0,0,2]=3 133 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,1,0,0,0|1,0,1]=3 135 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,1,0,0,0|0,0,2]=3 136 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,1,0,0,0|1,0,2]=4 137 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,1,0,0,0|1,0,1]=3 138 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,1,0,0,0|1,0,2]=4 139 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,1,0,0,0|1,0,2]=4 140 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,1,0,0,0|1,0,2]=4 141 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,1,0,0,0|1,0,1]=3 142 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,0,0|1,0,0]=2 144 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,1,0,0,0|1,0,0]=2 145 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,1,0,0,0|2,0,1]=4 146 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,1,0,0,0|1,0,2]=4 147 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,1,0,0,0|1,0,2]=4 151 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,1,0,0,0|1,0,1]=3 153 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [0,0,1,0,0,0|1,1,1]=4 154 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,1,0,0,0|0,0,2]=3 155 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,1,0,0,0|1,0,1]=3 156 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,0,1,0,0,0|1,0,2]=4 157 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,0,1,0,0,0|1,0,2]=4 159 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,1,0,0,0|1,0,0]=2 160 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,1,0,0,0|2,0,0]=3 161 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,0,1,0,0,0|1,0,2]=4 162 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,0,1,0,0,0|1,0,2]=4 163 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,1,0,0,0|1,0,1]=3 164 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,1,0,0,0|0,0,2]=3 165 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,1,0,0,0|1,0,1]=3 166 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,1,0,0,0|1,0,1]=3 167 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,1,0,0,0|1,0,2]=4 168 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,1,0,0,0|1,0,1]=3 169 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,1,0,0,0|1,0,2]=4 170 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,1,0,0,0|1,0,2]=4 171 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,1,0,0,0|2,0,0]=3 173 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,1,0,0,0|1,0,1]=3 174 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,0,1,0,0,0|2,0,1]=4 176 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,1,0,0,0|2,0,1]=4 180 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,1,0,0,0|2,0,0]=3 181 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,0,1,0,0,0|1,0,2]=4 182 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,1,0,0,0|1,0,2]=4 183 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,1,0,0,0|1,0,2]=4 184 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,0,1,0,0,0|1,0,0]=2 185 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,0,1,0,0,0|0,0,2]=3 186 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,1,0,0,0|0,0,0]=1 187 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,1,0,0,0|1,0,0]=2 189 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,0,1,0,0,0|1,0,1]=3 190 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,0,1,0,0,0|0,0,2]=3 191 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,0,1,0,0,0|1,0,1]=3 192 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,0,1,0,0,0|0,0,2]=3 193 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,0,1,0,0,0|1,0,1]=3 194 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,0,1,0,0,0|1,1,1]=4 195 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,0,1,0,0,0|0,0,2]=3 196 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,0,1,0,0,0|2,0,0]=3 197 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,0,1,0,0,0|2,0,0]=3 199 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,0,1,0,0,0|2,0,1]=4 200 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,0,1,0,0,0|2,0,1]=4 203 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,0,1,0,0,0|3,0,0]=4 204 B9R2.25 NC1=NC(=O)N2C1C2 CNP0517914.0 [0,0,0,1,0,0|3,0,0]=4 205 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,0,0|0,0,2]=3 206 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,0|1,0,2]=4 207 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,0,1,0|1,1,1]=4 209 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,0,1,0|1,1,1]=4 210 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,0,1,0|2,0,1]=4 211 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,1,0|0,0,0]=1 212 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,1,0|1,0,0]=2 213 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,1,0|1,0,0]=2 214 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,1,0|0,1,0]=2 215 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,0,1,0|1,1,1]=4 216 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,1,0|1,0,1]=3 217 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,0,1,0|2,0,1]=4 218 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,0,1,0|2,0,1]=4 219 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,0,1,0|3,0,0]=4 220 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,0,1,0|0,0,2]=3 221 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,0,1,0|0,0,2]=3 222 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,0,1,0|1,0,1]=3 223 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,0,1,0|1,0,2]=4 224 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,0,1,0|2,0,1]=4 225 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,0,1,0|1,0,1]=3 226 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,0,1,0|1,0,2]=4 227 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,0,1,0|1,0,1]=3 228 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,0,1,0|1,0,2]=4 229 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,0,1,0|3,0,0]=4 230 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,0,1,0|2,0,0]=3 231 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,0,1,0|2,0,0]=3 232 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,0,1,0|1,0,1]=3 233 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,1,0|2,0,0]=3 234 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,0,1,0|2,0,0]=3 235 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,0,1,0|2,0,1]=4 236 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,0,1,0|2,0,1]=4 237 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,0,1,0|3,0,0]=4 238 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,0,1,0|3,0,0]=4 239 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,0,1,0|3,0,0]=4 240 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,0,1,0|1,0,1]=3 241 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,1,0|1,0,0]=2 242 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,1,0|1,1,0]=3 243 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,1,0|1,1,0]=3 244 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|0,0,1]=2 245 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|1,0,1]=3 246 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,1,0|2,0,0]=3 247 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,0,1,0|1,0,1]=3 248 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,0,1,0|1,0,1]=3 249 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|1,0,2]=4 250 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,0,1,0|1,0,0]=2 251 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,0,1,0|2,1,0]=4 252 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,0,1,0|0,0,1]=2 253 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,0,1,0|1,0,2]=4 254 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,0,1,0|1,0,2]=4 255 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,0,1,0|0,0,3]=4 256 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,0,1,0|1,0,1]=3 257 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,0,1,0|1,0,1]=3 258 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,0,1,0|0,0,1]=2 259 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,0,1,0|1,0,2]=4 260 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,0,1,0|1,0,1]=3 261 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,0,1,0|1,0,1]=3 262 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,0,1,0|2,0,1]=4 263 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,0,1,0|2,0,1]=4 264 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,0,1,0|2,0,1]=4 265 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,1,0|1,0,2]=4 266 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,1,0|1,0,1]=3 267 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,0,1,0|1,0,0]=2 268 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,0,1,0|2,0,1]=4 269 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,0,1,0|2,0,1]=4 270 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,0,0,1|0,0,0]=1 272 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,0,0,1|0,0,2]=3 273 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,0,0,1|1,0,1]=3 274 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,0,0,1|1,0,1]=3 275 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,0,0,1|1,0,2]=4 278 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|0,0,0]=2 279 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,1,0,0,0|1,0,0]=3 280 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 282 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,0,1,0,0,0|0,0,2]=4 283 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,0,1,0,0,0|1,0,0]=3 284 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|0,0,1]=3 286 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,0]=2 287 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,1,0,0,0|1,0,0]=3 288 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,1]=4 289 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,0,1,0,0,0|0,0,2]=4 290 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,0,1,0,0,0|1,0,1]=4 291 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,1,0,0,0|0,0,1]=3 293 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,1,0,0,0|1,0,1]=4 294 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,0,1,0,0,0|1,0,1]=4 295 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 296 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|1,0,0]=3 297 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,1]=3 298 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|1,0,1]=4 299 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,0]=3 300 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,0]=3 301 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,0,1,0,0,0|0,0,1]=3 302 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|1,0,1]=4 303 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|1,0,1]=4 306 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|1,0,1]=4 308 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,1,0,0,0|0,0,2]=4 315 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,0,1,0,0,0|1,0,0]=3 316 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,0,1,0,0,0|1,0,0]=3 317 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,1,0,0,0|1,0,0]=3 318 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|0,0,0]=2 321 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|0,0,0]=2 323 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,1,0,0,0|1,0,0]=3 324 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,1,0,0,0|0,0,2]=4 326 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,1,0,0,0|2,0,0]=4 328 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,0,1,0,0,0|2,0,0]=4 330 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|0,0,2]=4 332 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,1,0,0,0|1,0,1]=4 333 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,1,0,0,0|1,0,1]=4 334 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,1,0,0,0|0,0,2]=4 335 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,1,0,0,0|1,0,1]=4 336 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,1,0,0,0|1,0,1]=4 337 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|1,0,0]=3 338 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,1,0,0,0|0,0,2]=4 339 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|0,0,1]=3 340 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|0,0,0]=2 342 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,1,0,0,0|1,0,0]=3 343 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|0,0,2]=4 344 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|0,0,1]=3 345 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|1,0,0]=3 346 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|1,0,0]=3 347 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|1,0,0]=3 348 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|1,0,1]=4 349 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|1,0,1]=4 351 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|2,0,0]=4 353 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,1,0,0,0|1,0,1]=4 363 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|2,0,0]=4 369 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|0,0,1]=3 371 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,1,0,0,0|0,0,1]=3 372 B6R0.6 C=CCCCC#N CNP0287374.0 [1,0,1,0,0,0|1,0,1]=4 373 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,1,0,0,0|0,0,1]=3 374 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|0,0,1]=3 375 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,1,0,0,0|0,0,2]=4 376 B6R0.6 C=CCNCC=C CNP0443858.0 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.6 C=CCSCC=C CNP0303954.0 [1,0,1,0,0,0|1,0,1]=4 378 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|1,0,1]=4 380 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,0,2]=4 381 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|0,0,1]=3 382 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,1]=3 384 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|0,0,1]=3 385 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|1,0,0]=3 388 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,1,0,0,0|2,0,0]=4 389 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,1,0,0,0|0,0,2]=4 390 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 391 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,1,0,0,0|0,0,1]=3 392 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,0]=2 394 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|0,0,2]=4 395 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,2]=4 397 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,1]=3 398 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|1,0,1]=4 399 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,1]=4 400 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,0]=3 401 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|1,0,1]=4 402 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|1,0,0]=3 403 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|0,0,1]=3 404 B6R1.1 C1=CCCCC1 CNP0275665.0 [2,0,0,0,0,0|0,0,1]=3 405 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|1,0,1]=4 406 B6R1.1 C1=CCNCC1 CNP0086452.0 [2,0,0,0,0,0|1,0,1]=4 407 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 408 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 409 B6R1.1 C1=CNCCC1 CNP0200592.0 [2,0,0,0,0,0|1,0,0]=3 410 B6R1.1 C1=CNCN=C1 CNP0472134.0 [2,0,0,0,0,0|2,0,0]=4 411 B6R1.1 C1=COCCC1 CNP0583467.0 [2,0,0,0,0,0|1,0,0]=3 412 B6R1.1 C1=CSSCC1 CNP0530429.0 [2,0,0,0,0,0|2,0,0]=4 413 B6R1.1 C1=NCCCC1 CNP0139263.0 [2,0,0,0,0,0|1,0,1]=4 414 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [2,0,0,0,0,0|0,0,1]=3 415 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,1,1,0,0,0|1,0,1]=4 416 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,1,1,0,0,0|0,0,2]=4 417 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,1,0,0,0|0,0,0]=2 418 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,1,0,0,0|1,0,1]=4 420 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,1,0,0,0|1,0,1]=4 422 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,1,0,0,0|1,0,0]=3 423 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,1,0,0,0|0,0,0]=2 424 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,1,0,0,0|1,0,0]=3 425 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,1,0,0,0|0,0,0]=2 426 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,1,0,0,0|1,0,1]=4 427 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,1,0,0,0|0,0,2]=4 428 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,1,0,0,0|0,0,2]=4 430 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,1,0,0,0|1,0,1]=4 431 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,1,0,0,0|0,0,0]=2 433 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,1,0,0,0|1,0,1]=4 435 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,1,0,0,0|0,0,2]=4 436 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,1,0,0,0|1,0,1]=4 437 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,1,0,0,0|1,0,1]=4 438 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,1,0,0,0|1,0,1]=4 439 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,1,1,0,0,0|2,0,0]=4 440 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|0,0,1]=3 441 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,1,1,0,0,0|0,0,2]=4 442 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,1,0,0,0|0,0,2]=4 443 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,1,0,0,0|0,0,0]=2 444 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,1,0,0,0|0,0,0]=2 445 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|0,0,2]=4 446 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|0,0,2]=4 447 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,1,0,0,0|2,0,0]=4 448 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|0,0,2]=4 450 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,1,0,0,0|1,0,0]=3 451 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,1,0,0,0|1,0,0]=3 452 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,1,0,0,0|1,0,0]=3 453 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,1,0,0,0|0,0,0]=2 454 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,1,0,0,0|0,0,2]=4 456 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,1,0,0,0|1,0,1]=4 457 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,1,1,0,0,0|1,0,1]=4 458 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,1,1,0,0,0|1,0,1]=4 459 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,1,0,0,0|0,0,1]=3 460 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|1,0,1]=4 461 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,1,0,0,0|0,0,2]=4 463 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,1,0,0,0|0,0,2]=4 464 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,1,0,0,0|0,0,2]=4 465 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,1,0,0,0|0,0,2]=4 466 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,1,0,0,0|0,0,2]=4 467 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,1,0,0,0|1,0,1]=4 468 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,1,0,0,0|1,0,1]=4 469 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,1,0,0,0|0,0,2]=4 470 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,1,0,0,0|0,0,2]=4 471 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,1,0,0,0|0,0,2]=4 472 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,1,0,0,0|0,0,1]=3 473 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,1,0,0,0|1,0,0]=3 474 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,1,0,0,0|0,0,2]=4 475 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,1,0,0,0|0,0,1]=3 476 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,1,0,0,0|1,0,0]=3 477 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,1,0,0,0|0,0,2]=4 478 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,1,0,0,0|1,0,1]=4 479 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,1,0,0,0|0,0,2]=4 481 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,1,0,0,0|1,0,1]=4 482 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,1,0,0,0|1,0,1]=4 483 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,1,0,0,0|1,0,1]=4 484 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,1,0,0,0|0,0,2]=4 485 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,1,0,0,0|1,0,1]=4 486 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,1,0,0,0|0,0,2]=4 487 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,1,0,0,0|1,0,1]=4 488 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,1,0,0,0|1,0,1]=4 489 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,1,0,0,0|1,0,1]=4 490 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,1,0,0,0|1,0,1]=4 491 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,1,1,0,0,0|1,0,1]=4 493 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,1,0,0,0|0,0,2]=4 494 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,1,1,0,0,0|1,0,1]=4 495 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,1,0,0,0|1,0,1]=4 496 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,1,0,0,0|1,0,1]=4 497 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,1,0,0,0|1,0,1]=4 499 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,1,0,0,0|1,0,1]=4 501 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,1,1,0,0,0|2,0,0]=4 503 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,1,1,0,0,0|2,0,0]=4 504 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,1,1,0,0,0|1,0,1]=4 505 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,1,1,0,0,0|2,0,0]=4 506 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,1,1,0,0,0|2,0,0]=4 507 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,1,0,0,0|0,0,2]=4 509 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,1,0,0,0|1,0,1]=4 510 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,1,0,0,0|1,0,1]=4 511 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,1,0,0,0|0,0,2]=4 512 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,1,0,0,0|1,0,1]=4 513 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,1,0,0,0|0,0,2]=4 514 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,1,0,0,0|1,0,1]=4 515 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,1,0,0,0|1,0,1]=4 516 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,1,0,0,0|2,0,0]=4 517 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [0,1,1,0,0,0|1,0,1]=4 518 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,1,1,0,0,0|1,0,1]=4 519 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,1,0,0,0|0,0,0]=2 520 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,1,0,0,0|0,0,2]=4 521 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,1,0,0,0|1,0,0]=3 522 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,1,0,0,0|0,0,2]=4 523 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,1,0,0,0|0,0,1]=3 524 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,1,0,0,0|1,0,0]=3 525 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,1,0,0,0|0,0,2]=4 526 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,1,0,0,0|1,0,1]=4 527 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,1,0,0,0|2,0,0]=4 528 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,1,0,0,0|0,0,2]=4 529 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,1,0,0,0|0,0,2]=4 530 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,1,0,0,0|0,0,2]=4 531 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,1,1,0,0,0|2,0,0]=4 534 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.1 C/C=C/S[S@@+]([O-])CCC CNP0575690.1 [0,1,1,0,0,0|1,0,1]=4 536 B8R0.1 C/C=C/S[S@@H+]([O-])CCC CNP0552206.2 [0,1,1,0,0,0|1,0,1]=4 537 B8R0.1 C/C=C\S[S@@+]([O-])CCC CNP0575690.2 [0,1,1,0,0,0|1,0,1]=4 538 B8R0.1 C/C=C\S[S@@H+]([O-])CCC CNP0552206.1 [0,1,1,0,0,0|1,0,1]=4 539 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,1,1,0,0,0|0,0,2]=4 540 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,1,0,0,0|0,0,2]=4 541 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,1,0,0,0|0,0,0]=2 542 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,1,0,0,0|0,0,2]=4 543 B8R0.1 CC=C[S+]([O-])SCCC CNP0526768.0 [0,1,1,0,0,0|1,0,1]=4 544 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,1,0,0,0|1,0,1]=4 545 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,1,0,0,0|0,0,2]=4 546 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,1,0,0,0|1,0,1]=4 547 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,1,0,0,0|0,0,2]=4 548 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,1,0,0,0|1,0,1]=4 549 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,1,0,0,0|1,0,1]=4 550 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,1,1,0,0,0|0,0,0]=2 551 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,1,1,0,0,0|0,0,0]=2 552 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,1,0,0,0|1,0,1]=4 553 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,1,1,0,0,0|1,0,0]=3 554 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,1,0,0,0|0,0,1]=3 555 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,1,0,0,0|0,0,2]=4 556 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,1,1,0,0,0|2,0,0]=4 557 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,1,1,0,0,0|2,0,0]=4 558 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,1,1,0,0,0|0,0,1]=3 562 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,1,1,0,0,0|0,0,2]=4 563 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,1,0,0,0,0|0,0,1]=3 564 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,1,0,0,0,0|0,0,2]=4 565 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,1,0,0,0,0|0,0,1]=3 566 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,1,0,0,0,0|0,0,1]=3 567 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,1,0,0,0,0|0,0,1]=3 568 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,1,0,0,0,0|0,0,1]=3 569 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,1,0,0,0,0|0,0,1]=3 570 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,1,0,0,0,0|0,0,1]=3 571 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,1,0,0,0,0|0,0,1]=3 572 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,1,0,0,0,0|0,0,1]=3 573 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,1,0,0,0,0|0,0,2]=4 574 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,1,0,0,0,0|0,0,2]=4 575 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,1,0,0,0,0|1,0,1]=4 576 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,1,0,0,0,0|0,0,1]=3 577 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,1,0,0,0,0|1,0,1]=4 578 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,1,0,0,0,0|1,0,0]=3 579 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,1,0,0,0,0|1,0,0]=3 580 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,1,0,0,0,0|0,0,2]=4 581 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,1,0,0,0,0|0,0,1]=3 582 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,1,0,0,0,0|0,0,1]=3 583 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,1,0,0,0,0|0,0,2]=4 584 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,1,0,0,0,0|1,0,1]=4 585 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,1,0,0,0,0|1,0,1]=4 586 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,1,0,0,0,0|0,0,2]=4 587 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,1,0,0,0,0|0,0,0]=2 588 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,1,0,0,0,0|0,0,0]=2 589 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,1,0,0,0,0|0,0,1]=3 590 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,1,0,0,0,0|0,0,2]=4 591 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [1,1,0,0,0,0|2,0,0]=4 592 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,1,0,0,0,0|0,0,1]=3 593 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,1,0,0,0,0|0,0,1]=3 594 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,0,1,0|2,0,0]=4 595 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,1,0|1,0,0]=3 596 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,1,0|0,0,0]=2 597 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,1,0|1,0,1]=4 598 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,0,1,0|1,0,1]=4 599 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,0,1,0|1,0,1]=4 600 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,0,1,0|1,0,0]=3 601 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,0,1,0|1,0,0]=3 602 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,0,1,0|1,0,1]=4 603 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,0,1,0|2,0,0]=4 604 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,0,1,0|1,0,1]=4 605 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,0,1,0|1,0,0]=3 606 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,0,1,0|2,0,0]=4 607 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,1,0,0,1,0|2,0,0]=4 608 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,0,1,0|0,0,2]=4 609 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,0,1,0|1,0,1]=4 610 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,0,1,0|1,0,1]=4 611 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,0,1,0|1,0,1]=4 612 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,0,1,0|1,0,1]=4 613 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,1,0|0,0,0]=2 614 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,1,0|1,0,1]=4 615 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,0,1,0|1,0,0]=3 616 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,1,0|1,0,1]=4 617 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,0,1,0|2,0,0]=4 618 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,0,1,0|1,0,1]=4 619 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,0,1,0|2,0,0]=4 620 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,0,1,0|1,0,1]=4 621 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,0,1,0|1,0,1]=4 622 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,0,1,0|1,0,1]=4 623 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,0,1,0|2,0,0]=4 624 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,0,1,0|1,0,1]=4 625 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,0,1,0|2,0,0]=4 626 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,1,0,0,1,0|2,0,0]=4 627 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,0,1,0|1,0,0]=3 628 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,1,0|0,0,0]=2 629 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,1,0|0,0,0]=2 630 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,0,1,0|1,0,0]=3 631 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,1,0|1,0,0]=3 632 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,1,0|1,0,0]=3 633 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,1,0|1,0,1]=4 634 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,1,0|1,0,1]=4 635 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,0,1,0|1,0,1]=4 636 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,0,1,0|0,0,1]=3 637 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,0,1,0|1,0,0]=3 638 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,0,1,0|2,0,0]=4 639 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,0,1,0|2,0,0]=4 640 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,0,1,0|1,0,1]=4 641 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,0,1,0|1,0,0]=3 642 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,1,0|1,0,0]=3 643 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,0,1,0|0,0,1]=3 644 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,0,1,0|0,0,1]=3 645 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,0,1,0|1,0,1]=4 646 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,0,1,0|1,0,1]=4 647 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,0,1,0|1,0,1]=4 648 B8R1.11 N#CC1=C(CCC1)N CNP0263562.0 [0,1,0,0,1,0|1,0,1]=4 649 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,0,1,0|0,0,2]=4 650 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,0,1,0|1,0,1]=4 651 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,0,1,0|0,0,1]=3 652 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,0,1,0|1,0,1]=4 653 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,0,0,1|0,0,2]=4 655 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,0,0,1|0,0,2]=4 656 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,0,0,1|0,0,2]=4 657 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,1,0,0,0,1|0,0,2]=4 658 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,0,0,1|0,0,1]=3 659 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,2,0,0,0,0|0,0,2]=4 660 B10R1.8 CC1=CC(=O)C[C@@H](O1)CO CNP0212942.1 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.8 C[C@H]1CC(=O)C=C(O1)CO CNP0111565.1 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,2,0,0,0,0|0,0,0]=2 669 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,2,0,0,0,0|0,0,0]=2 670 B10R1.30 COC1=CC(=O)OC[C@@H]1O CNP0353859.2 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.30 COC1=CC(=O)OC[C@H]1O CNP0353859.1 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.113 C=C(C)[C@@H]1C=C(CCC1)C CNP0351688.1 [0,2,0,0,0,0|1,0,1]=4 674 B10R1.113 C=C(C)[C@H]1C=C(CCC1)C CNP0351688.2 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.113 CC1=CC(=C(C)C)CCC1 CNP0149803.0 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.113 CN(C)C1=CC(=O)CCC1 CNP0055939.0 [0,2,0,0,0,0|0,0,0]=2 678 B10R1.113 NC(=O)C1=CC(=O)OCC1 CNP0294513.0 [0,2,0,0,0,0|1,0,1]=4 679 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,2,0,0,0,0|0,0,0]=2 681 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.22 CC1=CC(=O)C[C@@H]([C@H]1O)O CNP0177543.1 [0,2,0,0,0,0|0,0,0]=2 683 B10R1.22 C[C@H]1OC(=CC(=O)[C@@H]1O)O CNP0109001.1 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.245 N=CC1=C(CCOC1=O)O CNP0578096.0 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.245 NC=C1C(=O)CCOC1=O CNP0214644.0 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.245 O=CC1=C(CCNC1=O)O CNP0352698.0 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.329 C=C1C=C(CC(C1)(C)C)C CNP0130960.0 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.329 CC1(CC(=O)C=C(C1)O)C CNP0462432.0 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.329 CC1(CC(=O)CC(=O)C1)C CNP0566053.0 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.329 CC1=CC(=NC(C1)(C)C)O CNP0497194.0 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.329 CC1=CC(=O)CC(C1)(C)C CNP0196251.0 [0,2,0,0,0,0|0,0,0]=2 695 B10R1.329 CC1=CC(=O)OC(C1)(C)C CNP0077000.0 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.329 CC1=CC(CC(=C1)C)(C)C CNP0076041.0 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.329 CC1=CC(CC(=O)C1)(C)C CNP0135841.0 [0,2,0,0,0,0|0,0,2]=4 698 B10R1.329 CC1=C[C@@H](CC(C1)(C)C)O CNP0077291.2 [0,2,0,0,0,0|0,0,2]=4 699 B10R1.329 CC1=C[C@H](CC(C1)(C)C)O CNP0077291.1 [0,2,0,0,0,0|0,0,2]=4 700 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,2,0,0,0,0|0,0,2]=4 701 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,2,0,0,0,0|0,0,0]=2 703 B10R1.63 CC1=C[C@H](C(CC1)(C)C)O CNP0097325.1 [0,2,0,0,0,0|0,0,2]=4 704 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,2,0,0,0,0|1,0,1]=4 705 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,1,1,0,0|1,0,1]=4 706 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,1,1,0,0|1,0,1]=4 707 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,1,1,0,0|2,0,0]=4 708 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,1,1,0,0|2,0,0]=4 709 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,1,1,0,0|2,0,0]=4 710 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,1,1,0,0|0,0,2]=4 711 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,1,1,0,0|0,0,2]=4 712 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,1,1,0,0|1,0,1]=4 713 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,1,1,0,0|1,0,1]=4 714 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,1,1,0,0|1,0,1]=4 715 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,1,1,0,0|0,0,2]=4 716 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,1,1,0,0|0,1,1]=4 717 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [1,0,0,1,0,0|0,0,1]=3 718 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,0,0,1,0,1|0,0,2]=4 719 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,1,0,1|0,0,2]=4 720 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,1,0,1,0,0|1,0,1]=4 721 B10R2.43 CC1=CC(C2CC1C2)O CNP0570010.0 [0,1,0,1,0,0|0,0,2]=4 722 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,1,0,1,0|1,0,1]=4 723 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,1,0,1,0|1,0,1]=4 724 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,1,0,1,0|1,0,1]=4 725 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,1,0,1,0|2,0,0]=4 726 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,1,0|0,0,1]=3 727 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,1,0,1,0|1,0,1]=4 728 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,1,0,1,0|1,0,1]=4 729 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,1,0|1,0,0]=3 730 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,1,0,1,0|1,0,0]=3 731 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,1,0,1,0|2,0,0]=4 732 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,1,0,1,0|0,0,1]=3 733 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,1,0,1,0|1,0,1]=4 734 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,1,0,1,0|1,0,0]=3 735 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,1,0,1,0|1,0,1]=4 736 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,1,0,1,0|1,0,1]=4 737 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,1,0,1,0|1,0,1]=4 738 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,1,0,1,0|1,0,1]=4 739 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,1,0,1,0|0,0,1]=3 740 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,1,0,1,0|1,0,1]=4 741 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,1,0,1,0|1,0,1]=4 742 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,1,0,1,0|1,0,1]=4 743 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,1,0,1,0|1,0,1]=4 744 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,1,0,1,0|0,0,1]=3 745 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,1,0,1,0|1,0,1]=4 746 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,1,0,1,0|1,0,1]=4 747 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,1,0,1,0|1,0,1]=4 748 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,1,0,1,0|2,0,0]=4 749 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,1,0,1,0|2,0,0]=4 750 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,1,0,1,0|1,0,1]=4 751 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,1,0,1,0|1,0,1]=4 752 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,1,0,1,0|1,0,1]=4 753 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,1,0|0,0,1]=3 754 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,0,1,0|0,0,2]=4 755 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|1,0,1]=4 756 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,1]=4 757 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,1]=4 758 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,1,0|0,0,0]=2 759 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,1,0|1,0,0]=3 760 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,1,0|1,0,0]=3 761 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,1,0|2,0,0]=4 762 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|1,0,1]=4 763 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,1]=4 764 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,1,0|1,0,0]=3 765 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,1]=4 766 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,1,0|2,0,0]=4 767 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,1,0|2,0,0]=4 768 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,0,1,0|2,0,0]=4 769 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,1,0|2,0,0]=4 770 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,1,0|1,0,1]=4 771 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,0,1,0|0,0,2]=4 772 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,0,1,0|1,0,1]=4 773 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,0,1,0|1,0,1]=4 774 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,1,0|1,0,1]=4 775 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,0,1,0|1,0,1]=4 776 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,0,1,0|1,0,0]=3 777 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,1,0|0,0,0]=2 778 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,1,0|1,0,0]=3 779 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|2,0,0]=4 780 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,1,0|2,0,0]=4 781 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,1,0|2,0,0]=4 782 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,1,0|1,0,1]=4 783 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,0,1,0|0,0,1]=3 784 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,0,1,0|1,0,0]=3 785 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,1,0|1,0,0]=3 786 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,0,1,0|1,0,0]=3 787 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,0,1,0|2,0,0]=4 788 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,0,1,0|1,0,1]=4 789 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,0,1,0|2,0,0]=4 790 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,0,1,0|1,0,1]=4 791 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,1,0|2,0,0]=4 792 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,1,0|2,0,0]=4 793 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,0,1,0|1,0,1]=4 794 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,0,1,0|1,0,1]=4 795 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,0,2,0|0,0,1]=3 796 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,0,2,0|1,0,1]=4 797 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,0,0,2|1,0,1]=4 798 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,0,0,2|1,0,1]=4 799 B10R1.79 CC1=CCCC(=CCC1)C CNP0612141.0 [0,0,0,0,0,2|1,0,1]=4