0 B11R1.37 C=CC1=NC=C(N=C1CC)C CNP0003041.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.37 CCC1=NC=C(N=C1CC)C CNP0079896.0 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,0,0,0,0,0|0,0,0]=1 17 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.46 COC1=NC=C(N=C1C(C)C)C CNP0379235.0 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.78 CCC1=CC=C(C(=C1)CC)CC CNP0612118.0 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.78 CCC1=CN=C(C(=N1)CC)CC CNP0206056.0 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.448 CCC1=NC(=C(N=C1CC)C)C CNP0002580.0 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.652 CCC1=CC=C(C(=C1CC)C)C CNP0108226.0 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.24 CC1=CC2=C(C=N1)CCCC2 CNP0203215.0 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.24 CC1=CN=C2CCCCC2=N1 CNP0162102.0 [0,0,0,1,0,0|0,0,0]=1 39 B12R2.24 O=C1C=CC2=C(O1)CCCC2 CNP0079762.0 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.132 CC1=CN=C2CC[C@H](C2=N1)C CNP0330919.1 [0,0,0,1,0,0|0,0,0]=1 42 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.612 CC1=CN=C2C(=N1)CC[C@H]2C CNP0338936.1 [0,0,0,1,0,0|0,0,0]=1 46 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.32 CCC1=C(OC(=N1)C)CC CNP0002746.0 [0,0,0,0,1,0|1,0,0]=2 48 B10R1.257 CCC1=NO[N+](=C1CC)[O-] CNP0597187.0 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [2,0,0,0,0,0|0,0,2]=4 50 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [2,0,0,0,0,0|0,0,0]=2 53 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [2,0,0,0,0,0|0,0,2]=4 56 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [2,0,0,0,0,0|0,0,0]=2 61 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [2,0,0,0,0,0|0,0,0]=2 68 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [2,0,0,0,0,0|0,0,2]=4 70 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [2,0,0,0,0,0|0,0,0]=2 74 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [1,1,0,0,0,0|0,0,1]=3 77 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [1,1,0,0,0,0|0,0,1]=3 80 B11R1.81 CC=CC1=NC=C(N=C1C)C CNP0185639.0 [1,1,0,0,0,0|0,0,1]=3 81 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [1,1,0,0,0,0|0,0,0]=2 83 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [1,1,0,0,0,0|0,0,1]=3 84 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.277 CC1=NC(=C(N=C1C)CO)C CNP0075676.0 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.277 CCC1=NC(=C(N=C1C)C)C CNP0342125.0 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.279 CCC1=CN=C(C(=N1)C)CC CNP0165721.0 [1,1,0,0,0,0|0,0,0]=2 90 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.464 CCC1=C(C=C(N=C1Cl)C)Cl CNP0188033.0 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.464 CCN1C(=NC(=CC1=O)C)C CNP0482502.0 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [1,1,0,0,0,0|0,0,1]=3 95 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.182 C=CCC1=NC(=CN=C1C)C CNP0014529.0 [1,1,0,0,0,0|0,0,1]=3 97 B11R1.182 CC=CC1=NC(=CN=C1C)C CNP0002579.0 [1,1,0,0,0,0|0,0,1]=3 98 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.280 CCC1=CN=C(C(=N1)CC)C CNP0421668.0 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.183 CCCC1=C(N=C(O1)C)CC CNP0002744.0 [0,1,0,0,1,0|1,0,0]=3 104 B11R1.183 CCCC1=C(N=C(S1)C)CC CNP0186317.0 [0,1,0,0,1,0|1,0,0]=3 105 B11R1.183 CCCC1=C(OC(=N1)C)CC CNP0201203.0 [0,1,0,0,1,0|1,0,0]=3 106 B11R1.183 CCCC1=C(SC(=N1)C)CC CNP0002542.0 [0,1,0,0,1,0|1,0,0]=3 107 B13R1.2209 CCC(C)C1=NC(=CN=C1OC)C CNP0521502.0 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.356 CCOC1=CC(=CC=C1C(C)C)C CNP0179395.0 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.2200 CCC1=NC(=C(N=C1C)CC)CC CNP0376569.0 [0,2,0,0,0,0|0,0,0]=2 110 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [1,0,0,1,0,0|0,0,2]=4 111 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [1,0,0,1,0,0|0,0,0]=2 112 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [1,0,0,1,0,0|1,0,0]=3 116 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [1,0,0,1,0,0|0,0,0]=2 117 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [1,0,0,1,0,0|1,0,0]=3 119 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [1,0,0,1,0,0|0,0,0]=2 120 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [1,0,0,1,0,0|2,0,0]=4 121 B13R2.5179 CC1=CC=C2C(=N1)CCC[C@H]2C CNP0356797.1 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.3683 CC1=CN=C2CC(COC2=C1)C CNP0407931.0 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.328 CC1=CC(=C2CCCCC2=C1)C CNP0611963.0 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.328 CC1=CC(=C2CCCCC2=N1)C CNP0282817.0 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.328 CC1=CC(=C2CCCCC2=[NH+]1)C CNP0541101.0 [0,1,0,1,0,0|1,0,1]=4 126 B13R2.3742 CC1=CC(=C2CCN(C2=N1)C)N CNP0498720.0 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.155 CC1=CC=C2CCC(CC2=C1)C CNP0609610.0 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.369 CC1=NC2=C(CCCC2)N=C1C CNP0322563.0 [0,1,0,1,0,0|0,0,0]=2 129 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [1,0,0,0,1,0|1,0,0]=3 131 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [1,0,0,0,1,0|1,0,0]=3 132 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [1,0,0,0,1,0|1,0,0]=3 133 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [1,0,0,0,1,0|1,0,0]=3 134 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [1,0,0,0,1,0|1,0,0]=3 136 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [1,0,0,0,1,0|1,0,0]=3