0 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.6 N=C(N)C=CC(=N)N CNP0568602.0 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 NC(=O)C#CC(=O)N CNP0111468.0 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.6 NC(=O)N=NC(=O)N CNP0081464.0 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,0|0,0,0]=0 36 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,0|0,0,2]=2 37 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,0|0,0,1]=1 41 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,0|0,0,2]=2 42 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,0|0,0,2]=2 44 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,0|0,0,2]=2 45 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,0|0,0,2]=2 46 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,0|0,0,4]=4 47 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|0,0,1]=2 61 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|0,0,3]=4 62 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|0,0,0]=1 78 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,0|0,0,2]=3 87 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,1,0,0,0,0|0,0,2]=3 88 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|0,0,3]=4 89 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl CNP0326877.0 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.23 C=C(CC(=O)N)C(=O)N CNP0145469.0 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,1,0,0,0,0|0,0,1]=2 92 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl CNP0242939.0 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.23 CC(=CC(=O)N)C(=O)N CNP0275048.0 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,0|0,0,2]=3 109 B8R0.23 C[C@@H](NC(=O)N)C(=O)O CNP0369812.2 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,0|0,0,2]=3 111 B8R0.23 C[C@H](NC(=O)N)C(=O)O CNP0369812.1 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [0,1,0,0,0,0|0,0,1]=2 113 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.23 NC(=O)NC(=O)C(=O)O CNP0197878.0 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.23 NC(=O)N[C@@H](O)C(=O)O CNP0085588.2 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 NC(=O)N[C@H](O)C(=O)O CNP0085588.1 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,1,0,0,0,0|0,0,3]=4 121 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,0|0,0,3]=4 122 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,0|1,0,2]=4 123 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,0|0,0,2]=3 124 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,0|0,0,2]=3 130 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.23 O=C(O)C(=O)CP(=O)=O CNP0343422.0 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.23 O=C(O)C(=O)CS(=O)O CNP0083680.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,1,0,0,0,0|0,0,0]=1 135 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,1,0,0,0,0|0,0,1]=2 136 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,0|0,0,2]=3 137 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,0|0,0,2]=3 138 B8R0.23 O=C(O)CN(O)C(=O)O CNP0547380.0 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,0|0,0,2]=3 140 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.23 O=C(O)[C@H](O)C=C(O)O CNP0478842.1 [0,1,0,0,0,0|0,0,2]=3 143 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,1,0,0,0,0|0,0,3]=4 144 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.29 O=C(O)COP(=O)(O)O CNP0359504.0 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [0,0,0,1,0,0|2,1,0]=4 167 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,0|2,0,1]=4 169 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,1,0|2,0,1]=4 170 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,1,0|1,0,1]=3 171 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,1,0|3,0,0]=4 172 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,1,0|3,0,0]=4 173 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,1,0|2,0,0]=3 174 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,1,0|1,0,0]=2 175 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,1,0|3,0,0]=4 176 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,1,0|3,0,0]=4 177 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,1,0|2,0,1]=4 179 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,1,0|2,0,1]=4 180 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,1,0|1,0,1]=3 181 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,1,0|3,0,0]=4 182 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,1,0|3,0,0]=4 183 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,1,0|3,0,0]=4 184 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,1,0|3,0,0]=4 185 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,1,0|1,0,2]=4 186 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,1,0|1,0,2]=4 187 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,0,0,0,1,0|3,0,0]=4 188 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,1,0|2,0,1]=4 189 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,1,0|1,0,1]=3 190 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,1,0|2,0,0]=3 191 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,0,0,0,1,0|3,0,0]=4 192 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,0,0,0,1,0|3,0,0]=4 193 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,1,0|2,0,1]=4 194 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,1,0|2,0,0]=3 195 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,1,0|2,0,0]=3 196 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,1,0|2,0,0]=3 197 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,1,0|0,0,1]=2 198 B6R0.2 O=S(O)OS(=O)O CNP0441675.0 [0,0,0,0,1,0|3,0,0]=4 199 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,1|3,0,0]=4 200 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,1|1,0,2]=4 201 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,1|1,0,2]=4 202 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,1|2,0,1]=4 203 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,1|1,0,1]=3 204 B8R0.28 N=C(N)SC=CC(=O)O CNP0031971.0 [0,0,0,0,0,1|2,0,0]=3 205 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,0,0,0,0,1|1,0,0]=2 206 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,0,1|1,0,2]=4 207 B8R0.28 NC(=O)NCNC(=O)O CNP0206621.0 [0,0,0,0,0,1|2,0,1]=4 208 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,0,0,0,1|0,0,0]=1 209 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,0,1|0,0,2]=3 210 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,0,1|0,0,2]=3 211 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,0,1|0,0,2]=3 212 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,0,1|0,0,2]=3 213 B5R0.1 C=CC=C(C)C CNP0130651.0 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.1 C=CCC(=O)N CNP0292806.0 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,1]=3 217 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 CC(=O)C=NO CNP0397193.0 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,1]=4 222 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,1]=3 224 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|0,1,1]=4 225 B5R0.1 NC(=O)C=CI CNP0204270.0 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,0]=3 227 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,0]=3 228 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|1,0,0]=3 230 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,0,2]=4 231 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,0,1]=3 234 B5R0.2 C=CC=CC=C CNP0612137.0 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|1,0,0]=3 236 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|0,0,1]=3 240 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|0,0,2]=4 241 B5R0.2 OCC=CCO CNP0296138.0 [2,0,0,0,0,0|0,0,2]=4 242 B5R0.2 ON=CC=NO CNP0213631.0 [2,0,0,0,0,0|2,0,0]=4 243 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|0,0,1]=3 261 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|0,0,2]=4 266 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|0,0,1]=3 269 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [0,1,0,0,1,0|1,0,1]=4 270 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [0,1,0,0,1,0|1,0,1]=4 271 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,1,0|1,0,1]=4 272 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,1,0|1,0,1]=4 273 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,1,0|2,0,0]=4 274 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,1,0|2,0,0]=4 275 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,1,0|1,0,0]=3 276 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,1,0|1,0,1]=4 277 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,1,0|1,0,1]=4 278 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,1,0|1,0,1]=4 279 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,1,0|0,0,1]=3 280 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,1,0|1,0,1]=4 281 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,1,0|1,0,1]=4 282 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,1,0|0,0,1]=3 283 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,1,0,0,1,0|2,0,0]=4 284 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,1,0,0,1,0|2,0,0]=4 285 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,1,0,0,1,0|2,0,0]=4 286 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,1,0|0,0,0]=2 287 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,1,0|0,0,1]=3 288 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,1,0,0,0,1|2,0,0]=4 289 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,1|0,0,2]=4 290 B9R0.1 CO[N+](=CC=CC(=O)O)[O-] CNP0535849.0 [0,1,0,0,0,1|1,0,1]=4 291 B9R0.7 C=C(CCC(=O)O)C(=O)O CNP0610121.0 [0,1,0,0,0,1|0,0,1]=3 292 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,1,0,0,0,1|0,0,0]=2 293 B9R0.7 CC(=O)NN=C(C)C(=O)O CNP0443489.0 [0,1,0,0,0,1|2,0,0]=4 294 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,0,0,0,1|0,0,2]=4 295 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,0,0,0,1|0,0,2]=4 296 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,1,0,0,0,1|1,0,1]=4 297 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,0,1|1,0,1]=4 298 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,1,0,0,0,1|0,0,2]=4 299 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,1,0,0,0,1|0,0,2]=4 300 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,1,0,0,0,1|0,0,2]=4 301 B9R0.7 O=C(O)C(=O)CC[P@@H](=O)O CNP0360014.1 [0,1,0,0,0,1|1,0,1]=4 302 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,0,1|0,0,1]=3 303 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,1,0,0,0,1|0,0,2]=4 304 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,1,0,0,0,1|0,0,2]=4 305 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,0,1|0,0,2]=4 306 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,1,0,0,0,1|0,0,0]=2 307 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,1,0,0,0,1|2,0,0]=4 308 B9R0.53 CC(=O)C=C(O)C=C(O)O CNP0479225.0 [0,1,0,0,0,1|1,0,1]=4 309 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,1,0,0,0,1|0,0,2]=4 310 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,1,0,0,0,1|0,0,2]=4 311 B9R0.53 O=C(O)CC(=O)CC(=O)O CNP0280291.0 [0,1,0,0,0,1|0,0,1]=3 312 B9R0.53 O=C(O)CC(O)CC(=O)O CNP0395942.0 [0,1,0,0,0,1|0,0,2]=4 313 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,2,0,0,0,0|0,0,0]=2 314 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|0,0,2]=4 316 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,2,0,0,0,0|0,0,2]=4 317 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,2,0,0,0,0|0,0,2]=4 318 B9R0.24 COC(=O)C#CC(=O)OC CNP0341643.0 [0,2,0,0,0,0|0,0,2]=4 319 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.24 COC(=O)NNC(=O)OC CNP0145555.0 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.24 O=C(C=CC(=O)OCl)OCl CNP0202607.0 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,2,0,0,0,0|0,0,1]=3 325 B9R0.42 CNC(=O)NC(=O)C(=O)O CNP0105144.0 [0,2,0,0,0,0|2,0,0]=4 326 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,2,0,0,0,0|0,0,2]=4 330 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,0,2]=4 332 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.11 C[C@@](O)(CC(=O)O)C(=O)O CNP0272259.2 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,2,0,0,0,0|0,0,2]=4 336 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O CNP0272259.1 [0,2,0,0,0,0|0,0,2]=4 337 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,2,0,0,0,0|0,0,2]=4 338 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,2,0,0,0,0|0,0,2]=4 339 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,2,0,0,0,0|0,0,0]=2 340 B9R0.39 O=C(O)CC(=NO)C(=O)O CNP0331381.0 [0,2,0,0,0,0|0,0,1]=3 341 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,2,0,0,0,0|0,0,2]=4 342 B9R0.57 C=C(OP(=O)(O)O)C(=O)O CNP0261818.0 [0,2,0,0,0,0|2,0,0]=4 343 B9R0.57 O=C(O)C(=O)CP(=O)(O)O CNP0170314.0 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O CNP0249927.0 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.79 C=C(C(=C)C(=O)O)C(=O)O CNP0156637.0 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.79 CC(=C(C)C(=O)O)C(=O)O CNP0229389.0 [0,2,0,0,0,0|0,0,0]=2 347 B9R0.79 CC(C(=O)O)C(O)C(=O)O CNP0389403.0 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,2,0,0,0,0|0,0,2]=4 350 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,2,0,0,0,0|0,0,2]=4 353 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,2,0,0,0,0|0,0,2]=4 354 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,2,0,0,0,0|0,0,2]=4 355 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,2,0,0,0,0|0,0,2]=4 356 B9R0.79 O=C(O)C(=C(O)C(=O)O)O CNP0237095.0 [0,2,0,0,0,0|0,0,0]=2 357 B9R0.79 O=C(O)C(=O)C(=C(O)O)O CNP0190522.0 [0,2,0,0,0,0|0,0,1]=3 358 B9R0.79 O=C(O)C(O)C(O)C(=O)O CNP0549774.0 [0,2,0,0,0,0|0,0,2]=4 359 B9R0.79 O=C(O)[C@@H](Br)[C@@H](Br)C(=O)O CNP0444588.2 [0,2,0,0,0,0|0,0,2]=4 360 B9R0.79 O=C(O)[C@@H](Br)[C@H](Br)C(=O)O CNP0444588.1 [0,2,0,0,0,0|0,0,2]=4 361 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O CNP0131308.3 [0,2,0,0,0,0|0,0,2]=4 362 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CNP0131308.1 [0,2,0,0,0,0|0,0,2]=4 363 B9R0.79 O=C(O)[C@@H](S)[C@@H](S)C(=O)O CNP0437061.1 [0,2,0,0,0,0|0,0,2]=4 364 B9R0.79 O=C(O)[C@H](Br)[C@@H](Br)C(=O)O CNP0444588.3 [0,2,0,0,0,0|0,0,2]=4 365 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CNP0131308.2 [0,2,0,0,0,0|0,0,2]=4 366 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,1,0,0|0,0,0]=2 373 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|0,0,2]=4 376 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,1,0,0|2,0,0]=4 384 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,1,0,1|2,0,0]=4 385 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,0,0,1,0,1|2,0,0]=4 386 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,1,0,1|2,0,0]=4 387 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,0,0,1,0,1|1,0,0]=3 388 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,1,0,1|2,0,0]=4 389 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,1,0,1|2,0,0]=4 390 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,0,0,1,0,1|2,0,0]=4 391 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,0,0,1,0,1|1,0,1]=4 392 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,0,0,1,0,1|1,0,1]=4 393 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,0,0,1,0,1|2,0,0]=4 394 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,0,0,1,0,1|1,0,0]=3 395 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,0,0,1,0,1|2,0,0]=4 396 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,0,0,1,0,1|0,0,1]=3 397 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,0,1|0,0,2]=4 400 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,0,0,1,0,1|1,0,0]=3 401 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,0,0,1,0,1|0,0,2]=4 402 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O CNP0251636.1 [0,0,0,1,0,1|0,0,2]=4 403 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,0,0,1,0,1|0,0,2]=4 404 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,0,0,1,0,1|0,0,2]=4 405 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,0,1|0,0,2]=4 406 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,0,1|0,0,2]=4 407 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O CNP0251636.3 [0,0,0,1,0,1|0,0,2]=4 408 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O CNP0251636.2 [0,0,0,1,0,1|0,0,2]=4 409 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.69 O=C1C=CN(C(=O)N1)O CNP0212690.0 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.69 O=C1NC=C(C(=O)N1)O CNP0573977.0 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,1,0,1,0,0|1,0,1]=4 433 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,2,0|2,0,0]=4 434 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,2,0|2,0,0]=4 435 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,2,0|2,0,0]=4 436 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,2,0|1,0,0]=3 437 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,2,0|2,0,0]=4 438 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,2,0|2,0,0]=4 439 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,2,0|2,0,0]=4 440 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,2,0|1,0,0]=3 441 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,2,0|1,0,1]=4 442 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,2,0|1,0,1]=4 443 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,2,0|2,0,0]=4 444 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,2,0|1,0,0]=3 445 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,2,0|1,0,1]=4 446 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,2,0|2,0,0]=4 447 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,2,0|0,0,0]=2 448 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,2,0|0,0,2]=4 449 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,0,0,0,2,0|2,0,0]=4 450 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,2,0|0,0,0]=2 451 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,0,0,0,0,2|1,0,0]=3 452 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,0,0,0,2|1,0,1]=4 453 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,0,0,0,0,2|0,0,0]=2 454 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,0,0,0,2|0,0,0]=2 455 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,0,0,0,2|0,0,0]=2 456 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,0,0,0,0,2|0,0,2]=4 457 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,0,0,0,2|0,0,2]=4