0 B11R1.266 C=C(C)C1=CC=NC(=C1)CC CNP0500796.0 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.266 CCC1=CC(=CC=N1)C(=N)S CNP0342182.0 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.266 CCC1=CC(=CC=N1)C(=S)N CNP0521759.0 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.266 O=CC1=CC=CC(=C1)[N+](=O)[O-] CNP0576459.0 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,0,0,0,0,0|0,0,0]=1 59 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [1,0,0,0,0,0|0,1,2]=4 60 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,0,0,0,0,0|0,0,0]=1 69 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,0,0,0,0,0|0,0,1]=2 70 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [1,0,0,0,0,0|2,0,0]=3 73 B12R1.11 CCC1=CC(=O)OC(=C1)C(=O)O CNP0216144.0 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)C CNP0589100.0 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)O CNP0247560.0 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.11 COC1=CC(=O)OC(=C1)C(=O)C CNP0295805.0 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.11 COC1=CC(=O)OC(=C1)[C@H](C)O CNP0267166.1 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,1,0,0,0,0|0,0,1]=2 90 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.56 O=NC1=CC(=CC=C1[O-])C(=O)[O-] CNP0591454.0 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.258 C=C(C)C1=CC(=CC=N1)C(=O)C CNP0572722.0 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.258 C=C(C)C1=CC=CC(=C1)C(C)C CNP0084858.0 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.258 C=C(C)C1=CC=NC(=C1)C(=O)C CNP0485943.0 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.258 CC(=O)C1=CC(=CC=N1)C(C)C CNP0485147.0 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)N CNP0209482.0 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O CNP0441014.0 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)C CNP0044968.0 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.258 CC(C)C1=CC=CC(=C1)C(O)O CNP0344908.0 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.258 O=C(Cl)C1=CC=CC(=C1)C(=O)Cl CNP0043234.0 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O CNP0265672.0 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.258 O=C(O)C1=CC=CC(=N1)C(=O)O CNP0266365.0 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.279 CC(=O)C1=CC=CC(=C1)N=C=S CNP0391445.0 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.279 O=C(O)C1=CN(CC=C1)CCO CNP0610893.0 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.279 O=C(O)C1=CN([CH]C=C1)CCO CNP0549619.0 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.279 O=C([O-])C1=CC=C[N+](=C1)CCO CNP0600719.0 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.435 CCC1=CC(=CC=N1)C(=S=O)N CNP0135338.0 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.435 CCC1=CC=CC(=C1)[C@H](O)CO CNP0170656.1 [0,1,0,0,0,0|1,0,2]=4 116 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CNP0244459.0 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.440 C=C(C)C1=CC=CC(=C1C)OC CNP0162218.0 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.440 COC1=CC=CC(=C1C)[N+](=O)[O-] CNP0575943.0 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.440 COC1=CC=CC(=C1N)C(=O)O CNP0141530.0 [0,1,0,0,0,0|0,0,0]=1 122 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,1,0,0,0,0|0,0,0]=1 126 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [0,1,0,0,0,0|2,0,0]=3 127 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,0,1,0,0,0|1,0,2]=4 128 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [0,0,1,0,0,0|2,0,0]=3 129 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [0,0,1,0,0,0|1,0,0]=2 130 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,0,0,1,0,0|1,0,0]=2 131 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,0,0,0,1,0|2,0,0]=3 132 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,0,0,0,1,0|3,0,0]=4 136 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,0,0,0,1,0|2,0,0]=3 137 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,0,0,0,1,0|2,0,0]=3 138 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,0,0,0,0,1|2,0,0]=3 139 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [0,0,0,0,0,1|0,0,0]=1 140 B12R1.438 COC1=CC=CC(=C1)CC(C)N CNP0080010.0 [0,0,0,0,0,1|2,0,1]=4 141 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [1,0,1,0,0,0|1,0,1]=4 142 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|1,0,0]=3 143 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [1,0,1,0,0,0|1,0,1]=4 144 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [1,0,1,0,0,0|1,0,0]=3 145 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [1,0,1,0,0,0|1,0,1]=4 146 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [2,0,0,0,0,0|0,0,0]=2 148 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [2,0,0,0,0,0|0,0,1]=3 155 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [2,0,0,0,0,0|0,0,0]=2 158 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [2,0,0,0,0,0|1,0,1]=4 159 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [2,0,0,0,0,0|1,0,1]=4 160 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [2,0,0,0,0,0|0,0,0]=2 162 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [2,0,0,0,0,0|0,0,1]=3 164 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|0,0,0]=2 180 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|0,1,0]=3 185 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|0,0,1]=3 186 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|0,0,1]=3 187 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|0,0,1]=3 188 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|1,0,1]=4 189 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [2,0,0,0,0,0|1,0,1]=4 196 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|0,0,0]=2 204 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|0,0,0]=2 206 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [1,1,0,0,0,0|0,0,2]=4 220 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [1,1,0,0,0,0|0,0,0]=2 227 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Cl CNP0611630.0 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)O)O CNP0561927.0 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)O CNP0197644.0 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.155 O=P(O)(O)C1=CC=CC(=C1)O CNP0441003.0 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.155 O=S(=O)(O)C1=CC=CC(=C1)O CNP0166325.0 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [1,1,0,0,0,0|0,0,0]=2 256 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [1,1,0,0,0,0|0,0,0]=2 257 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.159 N[C@@H]1C(=CC=C[C@H]1O)C(=O)O CNP0161245.1 [1,1,0,0,0,0|0,0,2]=4 264 B11R1.159 N[C@H]1C(=CC=C[C@@H]1O)C(=O)O CNP0161245.2 [1,1,0,0,0,0|0,0,2]=4 265 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [1,1,0,0,0,0|0,0,1]=3 268 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [1,1,0,0,0,0|0,0,2]=4 269 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [1,1,0,0,0,0|0,0,1]=3 271 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [1,1,0,0,0,0|0,0,0]=2 285 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.9 COC1=CC(=CC(=C1)C=O)O CNP0302868.0 [1,1,0,0,0,0|0,0,0]=2 289 B11R1.9 COC1=CC(=CC(=C1)CO)O CNP0348183.0 [1,1,0,0,0,0|0,0,1]=3 290 B11R1.9 COC1=CC(=CC(=C1)OC)C CNP0159302.0 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.9 COC1=CC(=CC(=C1)OC)O CNP0317816.0 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.9 COC1=CC(=O)OC(=C1)CO CNP0378907.0 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.189 COC1=CC=CC(=C1)CC#N CNP0143135.0 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [1,1,0,0,0,0|0,0,1]=3 295 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.267 COC1=CC=CC(=C1C)OC CNP0500612.0 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.267 O=CC1=CC=CC(=C1O)C=O CNP0062742.0 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [1,1,0,0,0,0|0,0,0]=2 306 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [1,1,0,0,0,0|0,0,1]=3 310 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0482903.0 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0565531.0 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.124 CC#CC1=CC=C(S1)C(=O)O CNP0562114.0 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.193 COCC1=CNC=C1C(=O)C CNP0591296.0 [0,1,0,0,1,0|2,0,0]=4 320 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,1,0,0,0,1|0,0,0]=2 321 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,1,0,0,0,1|1,0,0]=3 322 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,1,0,0,0,1|0,0,0]=2 323 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,1,0,0,0,1|1,0,1]=4 324 B13R1.56 COC1=CC(=CC(=C1)OC(=O)C)O CNP0122023.0 [0,1,0,0,0,1|1,0,0]=3 325 B13R1.80 CCC1=CC=CC(=C1)OS(=O)(=O)O CNP0497875.0 [0,1,0,0,0,1|2,0,0]=4 326 B13R1.97 COC1=CC=C(C(=C1)CC(=O)N)O CNP0120802.0 [0,1,0,0,0,1|1,0,0]=3 327 B13R1.97 COC1=CC=C(C(=C1)CC(=O)O)O CNP0528791.0 [0,1,0,0,0,1|0,0,0]=2 328 B13R1.587 CC(=O)OC1=CC=CC(=C1)C(=O)C CNP0301141.0 [0,1,0,0,0,1|2,0,0]=4 329 B13R1.587 O=C(O)CC1=CC=CC(=C1)C(=O)O CNP0086934.0 [0,1,0,0,0,1|2,0,0]=4 330 B13R1.587 O=C(O)CC1=CC=CC(=C1)[N+](=O)[O-] CNP0479749.0 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.642 COC1=CC=CC(=C1)[C@@H](N)C(=O)O CNP0481401.2 [0,1,0,0,0,1|0,0,0]=2 332 B13R1.642 COC1=CC=CC(=C1)[C@H](N)C(=O)O CNP0481401.1 [0,1,0,0,0,1|0,0,0]=2 333 B13R1.126 CC1=CC(=CC(=N1)[C@H](C)O)C(=O)O CNP0546504.1 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.126 O=C(O)C1=CC(=CC(=C1)C(=O)O)O CNP0210028.0 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.126 O=C(O)C1=CC(=CC(=C1)[N+](=O)[O-])I CNP0569323.0 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.298 COC1=C(C(=O)OC(=C1)C(=O)C)C CNP0105230.0 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CNP0383759.0 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.299 COC1=CC(=CC(=C1O)C(=O)C)O CNP0597001.0 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.313 COC1=CC(=CC(=C1)C(=O)C)OC CNP0366856.0 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.313 COC1=CC(=CC(=C1)C(=O)O)OC CNP0121798.0 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.314 CCC1=CC(=O)OC(=C1)C(=O)OC CNP0404021.0 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.314 COC(=O)C1=CC(=CC(=C1)OC)O CNP0330541.0 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.437 COC1=CC(=C(C(=C1)C(=O)O)N)O CNP0265407.0 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O CNP0076310.0 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)C)O CNP0162097.0 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)O)O CNP0528188.0 [0,2,0,0,0,0|1,0,0]=3 347 B13R1.13 CC1=CC=C(C=C1[N+](=O)[O-])C(=O)O CNP0530373.0 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.13 NC1=CC=C(C=C1C(=O)O)[N+](=O)[O-] CNP0492601.0 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.13 O=C(O)C1=CC=C(C(=C1)C(=O)O)O CNP0159995.0 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.13 O=C(O)C1=CC=C(C(=C1)[N+](=O)[O-])O CNP0525330.0 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.49 CCC(=O)C1=CC=C(C(=C1)OC)O CNP0146838.0 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.49 CC[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.2 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.49 CC[C@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.1 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)N CNP0017903.0 [0,2,0,0,0,0|0,0,0]=2 355 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)O CNP0205762.0 [0,2,0,0,0,0|0,0,0]=2 356 B13R1.49 COC1=CC(=CC=C1O)C(=NO)C CNP0173953.0 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.49 COC1=CC(=CC=C1O)C(=O)CO CNP0379786.0 [0,2,0,0,0,0|0,0,0]=2 358 B13R1.49 COC1=CC(=CC=C1O)C(O)C=O CNP0022427.0 [0,2,0,0,0,0|0,0,1]=3 359 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CN CNP0113388.2 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CO CNP0116546.1 [0,2,0,0,0,0|0,0,2]=4 361 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CN CNP0113388.1 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CO CNP0116546.2 [0,2,0,0,0,0|0,0,2]=4 363 B13R1.50 COC1=CC(=CC=C1C)C(C)(C)O CNP0405242.0 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.354 CC(=O)C1=CC=C(C(=C1)CCO)O CNP0348573.0 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.354 CC=CC1=CC(=CC=C1O)C(=O)O CNP0289208.0 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.354 CCOC1=CC(=CC=C1O)C(=O)O CNP0076092.0 [0,2,0,0,0,0|0,0,0]=2 367 B13R1.2403 COC1C=C(C=CC1(C)O)C(=O)O CNP0570531.0 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.3091 C=C(C)C1=CC=C(C(=C1)OC)OC CNP0310060.0 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)C CNP0212163.0 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N CNP0186366.0 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)O CNP0328859.0 [0,2,0,0,0,0|0,0,0]=2 372 B13R1.3091 COC1=CC=C(C=C1OC)C(C)O CNP0521065.0 [0,2,0,0,0,0|1,0,1]=4 373 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)C)O CNP0578194.0 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)N)O CNP0315935.0 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.6806 COC1(CC(=CC=C1O)C(=O)O)O CNP0600103.0 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.345 O=C(O)C1=CC=CC(=C1)S(=O)(=O)O CNP0463838.0 [0,2,0,0,0,0|1,1,0]=4 377 B13R1.543 CC(=O)C1=CC=CC(=C1)[C@@H](O)CO CNP0125692.1 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.543 COC(=O)C1=CC=CC(=N1)C(=O)O CNP0298121.0 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.543 COC(=O)C1=CN=CC(=C1)C(=O)C CNP0272127.0 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.543 COC(=O)C1=CN=CC(=C1)[C@@H](C)O CNP0289284.1 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.543 COC(=O)C1=CN=CC(=C1)[C@H](C)N CNP0167444.1 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.377 CCOC1=CC=CC(=C1O)C(=O)O CNP0600415.0 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.377 O=C(O)C1=CC=CC(=C1O)C=NO CNP0493096.0 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.377 O=CNC1=CC=CC(=C1O)C(=O)O CNP0190891.0 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.387 CCOC1=CC=C(C(=C1)C(=O)C)N CNP0066031.0 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.387 COCC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0550578.0 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.568 CCCOC1=CC=CC(=C1)C(=O)O CNP0501093.0 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.82 CCC1=CN=CC(=C1C)C(=O)OC CNP0163500.0 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.82 COC(=O)C1=CC=CC(=C1O)OC CNP0242237.0 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC CNP0127250.0 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.2431 COC(=O)C1=CC(=CC=C1O)OC CNP0150124.0 [0,2,0,0,0,0|0,0,0]=2 392 B13R1.2137 CNC1=C(C=CC=C1C(=O)O)OC CNP0237553.0 [0,2,0,0,0,0|0,0,0]=2 393 B13R1.2137 COC1=CC=CC(=C1C=O)C(=O)O CNP0254141.0 [0,2,0,0,0,0|0,0,0]=2 394 B13R1.2430 COC1=CC=C(C(=C1)C(=O)C)OC CNP0220465.0 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.2430 COC1=CC=C(C(=C1)[N+](=O)[O-])OC CNP0022924.0 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,0,1,1,0,0|2,0,0]=4 397 B11R1.75 O=C(O)C=CC1=CC(=O)CC1 CNP0224386.0 [0,0,1,1,0,0|2,0,0]=4 398 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,1,1,0,0|1,0,1]=4 399 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,1,1,0,0|2,0,0]=4 400 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [1,0,0,1,0,0|1,0,0]=3 401 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [1,0,0,1,0,0|1,0,0]=3 402 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|1,0,1]=4 403 B13R2.1629 COC1=CC=CC2=C1[C@@](C2)(C)O CNP0052910.1 [0,0,0,1,0,1|1,0,1]=4 404 B13R2.1629 COC1=CC=CC2=C1[C@](C2)(C)O CNP0052910.2 [0,0,0,1,0,1|1,0,1]=4 405 B13R2.2121 COC1=CC=C2N=C(OC2=C1)O CNP0603780.0 [0,0,0,1,0,1|1,0,0]=3 406 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,0,0,1,0,1|1,0,0]=3 407 B13R2.2121 COC1=CC=C2NC(=O)SC2=C1 CNP0406672.0 [0,0,0,1,0,1|1,0,0]=3 408 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,0,0,1,0,1|1,0,0]=3 409 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,1,0,0|1,0,0]=3 411 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,1,0,1,0,0|1,0,0]=3 413 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CNP0083028.0 [0,1,0,1,0,0|1,0,1]=4 414 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CNP0314403.0 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,1,0,1,0,0|1,0,0]=3 416 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,1,0,1,0,0|0,0,0]=2 417 B13R2.5569 O=C(O)C1=CC=CC2=C1NC=C2 CNP0363798.0 [0,1,0,1,0,0|1,0,1]=4 418 B13R2.5569 O=C(O)C1=CC=CC2=C1OCO2 CNP0260547.0 [0,1,0,1,0,0|0,0,0]=2 419 B13R2.12973 O=C(O)C1=CC=CC2=C1C(=O)C2 CNP0458917.0 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.573 COC1=CC=CC2=C1COC2=O CNP0351140.0 [0,1,0,1,0,0|0,0,0]=2 421 B13R2.1628 COC1=CC=CC2=C1C(=O)C2=O CNP0189584.0 [0,1,0,1,0,0|0,0,1]=3 422 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 CNP0418435.0 [0,1,0,1,0,0|0,0,1]=3 423 B9R0.1 CO[N+](=CC=CC(=O)O)[O-] CNP0535849.0 [0,0,1,0,1,0|2,0,0]=4 424 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,1,0|2,0,0]=4 425 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,1,0|2,0,0]=4 426 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,1,0|2,0,0]=4 427 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,1,0|2,0,0]=4 428 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,1,0|1,0,0]=3 429 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [1,0,0,0,1,0|2,0,0]=4 430 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,1,0|1,0,0]=3 431 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [1,0,0,0,1,0|2,0,0]=4 432 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,1,0|1,0,0]=3 433 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,1,0|1,0,0]=3 434 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [1,0,0,0,1,0|2,0,0]=4 435 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [1,0,0,0,1,0|2,0,0]=4 436 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [1,0,0,0,1,0|1,0,0]=3 437 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [1,0,0,0,1,0|2,0,0]=4 438 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [1,0,0,0,1,0|1,0,0]=3 439 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,1,0|0,0,1]=3 440 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,1,0|2,0,0]=4 441 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,1,0|2,0,0]=4 442 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,1,0|2,0,0]=4 443 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,1,0|2,0,0]=4 444 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,1,0|2,0,0]=4 445 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,1,0|1,0,0]=3 446 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,1,0|1,0,0]=3 447 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [1,0,0,0,1,0|2,0,0]=4 448 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,1,0|1,0,0]=3 449 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,1,0|1,0,0]=3 450 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [1,0,0,0,1,0|2,0,0]=4 451 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [1,0,0,0,1,0|2,0,0]=4 452 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [1,0,0,0,1,0|2,0,0]=4 453 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [1,0,0,0,1,0|2,0,0]=4 454 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [1,0,0,0,1,0|2,0,0]=4 455 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [1,0,0,0,1,0|2,0,0]=4 456 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,0,1,0|1,0,0]=3 457 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [1,0,0,0,0,1|1,0,0]=3 458 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [1,0,0,0,0,1|2,0,0]=4 459 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [1,0,0,0,0,1|2,0,0]=4 460 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [1,0,0,0,0,1|1,0,0]=3 461 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [1,0,0,0,0,1|2,0,0]=4 462 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [1,0,0,0,0,1|1,0,0]=3 463 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [1,0,0,0,0,1|1,0,0]=3 464 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [1,0,0,0,0,1|0,0,0]=2 465 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [1,0,0,0,0,1|0,0,0]=2 466 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,0,0,0,1,1|1,0,1]=4 467 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,0,0,0,1,1|2,0,0]=4 468 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,0,0,0,1,1|2,0,0]=4 469 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,0,0,0,1,1|1,0,0]=3 470 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,0,0,0,1,1|2,0,0]=4 471 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,0,0,0,1,1|1,0,0]=3 472 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,0,0,0,1,1|1,0,0]=3 473 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,0,0,0,1,1|1,0,0]=3 474 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,0,0,0,1,1|1,0,0]=3 475 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,0,0,0,1,1|0,0,0]=2 476 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,0,0,0,1,1|1,0,1]=4 477 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,0,0,0,1,1|1,0,1]=4 478 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,0,0,0,1,1|1,0,1]=4 479 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,0,0,0,1,1|1,0,1]=4 480 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,0,0,0,1,1|0,0,0]=2 481 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,0,0,0,1,1|2,0,0]=4 482 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,0,0,0,1,1|2,0,0]=4 483 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,0,0,0,1,1|2,0,0]=4 484 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,0,0,0,1,1|2,0,0]=4 485 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,0,0,0,1,1|2,0,0]=4 486 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,0,0,0,1,1|2,0,0]=4 487 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,0,0,0,1,1|1,0,0]=3 488 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [0,0,0,0,0,2|0,0,0]=2 489 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] CNP0478941.0 [0,0,0,0,0,2|1,0,1]=4 490 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,0,0,0,0,2|0,0,0]=2 491 B13R1.643 COC1=CC=CC(=C1)NNC(=S)N CNP0049349.0 [0,0,0,0,0,2|1,1,0]=4