0 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.16 NC(C(=O)O)C(F)F 4157-3-38 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 O=C(O)C(O)C(F)F 2129-3-44 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,0,0,0,0,0|0,0,0]=0 14 B6R0.2 C=C(Br)CC(C)C 1300-9-16 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.2 CC(=O)OC(C)Br 2123-9-25 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.2 CC(C)CC(=O)O 2121-1-18 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.2 CC(C)NC(N)=O 4153-1-10 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.2 CC(C)OC(N)=O 4156-1-2S [1,0,0,0,0,0|3,0,0]=4 19 B6R0.2 CC(C)SC(=O)Cl 6166-5-00 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CC(Cl)CC(=O)O 2121-5-09 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 CN(C)CC(=O)O 4158-1-41 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.2 C[C@@H](N)CC(=O)O 4157-1-12 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.2 C[C@H](N)CC(=O)O 4157-5-06 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 C[C@H](O)C[C@H](C)O 2104-1-29 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.3 C=C(Br)C(C)CC 1300-9-17 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.3 CC(CBr)C(=O)O 2121-9-0A [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 CC(CS)C(=O)O 6261-1-00 [1,0,0,0,0,0|1,1,0]=3 29 B6R0.3 CCC(Br)C(=O)Br 2116-9-09 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 CCC(Br)C(=O)Cl 2116-D-02 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 CCC(Br)C(=O)O 2121-9-15 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.3 CCC(C)B(O)O 6160-1-05 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(O)C(=O)O 2129-1-1J [1,0,0,0,0,0|1,0,0]=2 34 B6R0.3 CCC(S)C(C)=O 6161-1-00 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 CC[C@@H](Cl)C(=O)O 2121-5-R0 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [1,0,0,0,0,0|1,0,0]=2 37 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.3 CC[C@H](Cl)C(=O)O 2121-5-S0 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CC[C@H](N)C(N)=O 4148-5-S0 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CNC(C)C(=O)O 4157-1-0A [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 NC(=O)C(Cl)CCl 4148-5-0K [1,0,0,0,0,0|3,0,0]=4 44 B6R0.3 NC(CS)C(=O)O 8161-5-00 [1,0,0,0,0,0|0,1,0]=2 45 B6R0.3 NCC(N)C(=O)O 4157-1-27 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.3 NCC(N)C(=O)O 4157-5-02 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 NCC(O)C(=O)O 4157-1-47 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.3 NC[C@@H](N)C(=O)O 4157-5-R5 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 NC[C@H](N)C(=O)O 4157-5-S5 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 NC[C@H](O)C(=O)O 4156-1-SR [1,0,0,0,0,0|2,0,0]=3 51 B6R0.3 N[C@@H](CCl)C(=O)O 4157-5-R3 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 N[C@@H](CS)C(=O)O 8161-5-R2 [1,0,0,0,0,0|0,1,0]=2 53 B6R0.3 N[C@H](CS)C(=O)O 8161-5-S2 [1,0,0,0,0,0|0,1,0]=2 54 B6R0.3 O=C(O)C(=O)CBr 2129-9-X1 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 O=C(O)C(Br)CBr 2121-9-06 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 O=C(O)C(F)CF 2121-3-1P [1,0,0,0,0,0|2,0,0]=3 57 B8R0.2 CCC(C)C(=O)C(=O)O 2129-1-1A [0,1,0,0,0,0|2,0,1]=4 58 B8R0.2 CCC(O)C(Cl)C(=O)O 2129-5-03 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 2121-5-0B [0,1,0,0,0,0|2,0,0]=3 60 B8R0.2 COC(=O)C(=O)C(C)Br 2129-9-03 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.2 COC(=O)C(=O)C(C)C 2129-1-0P [0,1,0,0,0,0|2,0,1]=4 62 B8R0.2 COC(=O)C(Br)C(C)C 2123-9-0M [0,1,0,0,0,0|2,0,0]=3 63 B8R0.2 COC(=O)C(Cl)C(C)=O 2129-5-0J [0,1,0,0,0,0|1,0,2]=4 64 B8R0.2 COC(=O)C(O)C(F)F 2129-3-49 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.2 COC(=O)[C@@H](N)C(C)C 4158-5-S4 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.2 COC(=O)[C@@H](O)C(C)C 2129-1-S2 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.2 COC(=O)[C@H](N)C(C)C 4158-5-R4 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.2 COC(=O)[C@H](O)C(C)C 2129-1-R2 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.27 CC(C(=O)O)C(C)(C)C 2121-1-44 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.27 CC(C)(C)C(=O)C(=O)O 2129-1-26 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.27 CC(C)(C)C(N)C(=O)O 4157-1-0V [0,1,0,0,0,0|1,0,0]=2 72 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 2129-1-S5 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.27 CC(C)(F)C(N)C(=O)O 4157-3-X1 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.27 CC(C)(O)C(N)C(=O)O 4157-1-0R [0,1,0,0,0,0|0,0,0]=1 75 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 4157-1-SJ [0,1,0,0,0,0|0,0,0]=1 76 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F 2129-3-R1 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.37 CC(=O)C(C)(C)C(=O)O 2129-1-1Q [0,1,0,0,0,0|1,0,2]=4 78 B8R0.37 CC(C)(C(=O)O)C(=O)O 2121-1-0L [0,1,0,0,0,0|2,0,1]=4 79 B8R0.37 CC(C)[C@](C)(N)C(=O)O 4157-1-SH [0,1,0,0,0,0|1,0,0]=2 80 B8R0.37 CC(O)[C@@](C)(N)C(=O)O 4157-1-24 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.37 O=C(O)C(F)(F)C(F)Br 2121-B-X1 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.50 CC1C(=O)COC1=O 2225-1-00 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 2H29-1-65 [0,0,0,1,0,0|1,0,0]=2 84 B8R1.54 N[C@@H](C(=O)O)C1CC1 4257-1-R8 [0,0,0,1,0,0|1,0,0]=2 85 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [0,0,0,1,0,0|2,0,0]=3 86 B8R1.77 CC1(C)CC1C(N)=O 4248-1-07 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.77 O=C(O)C1CC1(Cl)Cl 2221-5-02 [0,0,0,1,0,0|3,0,0]=4 89 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,0,0,0,1|1,0,2]=4 90 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,0,0,0,0,1|1,0,2]=4 91 B8R0.23 CC(C)C(N)CC(=O)O 4157-1-40 [0,0,0,0,0,1|1,0,0]=2 92 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,0,0,0,0,1|2,0,0]=3 93 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,0,0,0,0,1|2,0,0]=3 94 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,0,0,0,0,1|2,0,0]=3 95 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,0,0,0,0,1|2,0,0]=3 96 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,0,0,0,0,1|2,0,0]=3 97 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,0,0,0,0,1|2,0,0]=3 98 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,0,0,0,0,1|1,0,0]=2 99 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,0,0,0,0,1|1,0,0]=2 100 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,0,0,0,1|2,0,1]=4 101 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,0,0,0,0,1|1,0,1]=3 102 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,0,0,0,1|2,0,1]=4 103 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,0,0,0,1|1,0,2]=4 105 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,0,0,0,1|1,0,2]=4 106 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,0,0,0,1|1,0,1]=3 107 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,0,0,0,0,1|2,0,0]=3 108 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,0,0,0,1|2,0,1]=4 109 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,0,0,0,1|2,0,1]=4 110 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,0,0,0,1|2,0,1]=4 111 B5R0.1 C=C(Br)CCC 1300-9-18 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 C=C(Br)CCO 2301-9-00 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 C=CC[C@H](C)O 2302-1-S0 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 CC(=O)NCO 4148-1-29 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 CC(O)CC#N 4137-1-X8 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CCNC(C)=O 4148-1-22 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 CCOC(=O)Cl 2123-5-02 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 CCSC(C)=O 6166-1-0D [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 COC[C@H](C)O 2607-1-20 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 C[C@H](O)CCO 2104-1-S0 [2,0,0,0,0,0|0,0,1]=3 121 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|0,0,0]=2 126 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|0,1,0]=3 127 B5R0.1 O=[N+]([O-])CCO 4154-1-02 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.3 C=CC(O)CO 2304-1-01 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.3 CC[C@@H](O)CO 2104-1-X1 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.3 O=C[C@@H](O)CO 2115-1-S0 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.5 C=C(C)C(=O)O 2321-1-02 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.5 CC(=O)C(C)Br 2117-9-04 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.5 CC(Br)C(=O)Br 2116-9-02 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.5 CC(Br)C(=O)Cl 2116-D-X1 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.5 CC(Br)C(=O)O 2121-9-13 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.5 CC(C)C(=O)Br 2116-9-0B [2,0,0,0,0,0|2,0,0]=4 137 B5R0.5 CC(C)C(C)N 3130-1-06 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.5 C[C@@H](Br)C(=O)O 2121-9-R0 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.5 C[C@@H](O)C(F)F 2102-3-R2 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.5 C[C@H](O)C(F)F 2102-3-S2 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.5 NC(=O)C(=O)O 4157-1-60 [2,0,0,0,0,0|0,0,2]=4 143 B5R0.5 O=C(O)C(=O)O 2122-1-10 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.5 O=C(O)C(=O)O 4H30-1-7V [2,0,0,0,0,0|1,0,1]=4 145 B5R0.5 O=C(O)C(Cl)Cl 2121-5-07 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.2 CC(C)OC(=O)CO 2129-1-0W [1,1,0,0,0,0|2,0,0]=4 147 B7R0.2 CC(CN)CC(=O)O 4157-5-12 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [1,1,0,0,0,0|0,0,2]=4 149 B7R0.2 CCC(=O)CC(C)C 2117-1-0D [1,1,0,0,0,0|2,0,0]=4 150 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.2 CCC(N)CC(=O)O 4157-1-20 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.2 CC[C@@H](N)CC(=O)O 4156-5-R2 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.2 COC(=O)CC(=O)O 2123-1-85 [1,1,0,0,0,0|0,0,2]=4 155 B7R0.2 COC(=O)CN(C)C 4158-5-0L [1,1,0,0,0,0|2,0,0]=4 156 B7R0.2 COC(=O)C[C@@H](C)N 4158-5-R2 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.2 COC(=O)C[C@H](C)N 4158-5-S2 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.2 COC(=O)C[C@H](C)O 2129-1-62 [1,1,0,0,0,0|0,0,0]=2 159 B7R0.2 NCC(O)CC(=O)O 4157-1-14 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.9 CC(=O)CC(C)(C)C 2117-1-02 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.9 CC(=O)CC(C)(C)O 2120-1-07 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.9 CC(C)(C)CC(=O)Cl 2116-5-0D [1,1,0,0,0,0|2,0,0]=4 163 B7R0.9 C[C@@H](O)CC(C)(C)O 2103-1-R0 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.9 C[C@H](O)CC(C)(C)O 2103-1-S0 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.9 C[N+](C)(C)CC(=O)O 4158-5-20 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.9 O=C(O)CP(=O)(O)O 6177-1-27 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,1,0,0,0,0|0,0,1]=3 169 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,1,0,0,0,0|0,0,1]=3 170 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,1,0,0,0,0|0,0,1]=3 171 B7R0.5 CC(C)C(N)CCO 4156-1-86 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,1,0,0,0,0|1,0,0]=3 173 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,1,0,0,0,0|0,0,0]=2 175 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,1,0,0,0,0|1,0,1]=4 176 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,1,0,0,0,0|0,0,0]=2 178 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,1,0,0,0,0|0,0,0]=2 179 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,1,0,0,0,0|0,0,0]=2 181 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,1,0,0,0,0|0,0,0]=2 182 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,1,0,0,0,0|0,0,0]=2 186 B7R0.5 O=C(Br)C(Br)CCBr 2116-9-00 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.10 CCC(=O)C(=O)OC 2129-1-61 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.10 CCC(N)C(=O)OC 4158-5-48 [1,1,0,0,0,0|0,0,0]=2 189 B7R0.10 CC[C@@H](O)C(=O)OC 2129-1-R6 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.10 CC[C@H](N)C(=O)OC 4258-1-S7 [1,1,0,0,0,0|0,0,0]=2 191 B7R0.10 CN[C@@H](C)C(=O)OC 4158-5-SJ [1,1,0,0,0,0|2,0,0]=4 192 B7R0.10 COC(=O)C(Cl)CCl 2123-5-1E [1,1,0,0,0,0|2,0,0]=4 193 B7R0.10 COC(=O)C(F)CCl 2123-7-23 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 COC(=O)C(F)CO 2129-3-43 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.10 COC(=O)C(N)CO 4158-5-27 [1,1,0,0,0,0|0,0,0]=2 196 B7R0.10 COC(=O)C(N)CS 8161-5-X0 [1,1,0,0,0,0|0,1,0]=3 197 B7R0.10 COC(=O)[C@@H](C)CBr 2123-9-R0 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.10 COC(=O)[C@@H](N)CCl 4158-5-RN [1,1,0,0,0,0|1,0,0]=3 199 B7R0.10 COC(=O)[C@H](C)CBr 2123-9-S0 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.10 COC(=O)[C@H](N)CCl 4158-5-SN [1,1,0,0,0,0|1,0,0]=3 201 B7R0.10 COC(=O)[C@H](N)CO 4158-5-R3 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.10 NNC(=O)C(N)CO 4156-5-0R [1,1,0,0,0,0|1,0,0]=3 203 B7R0.10 O=C[C@H](O)[C@H](O)CO 2112-1-06 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.10 OC[C@@H](O)[C@H](O)CO 2105-1-09 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.10 OC[C@H](O)[C@H](O)CO 2105-1-00 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.13 CC(C)(CBr)C(=O)O 2121-9-0B [1,1,0,0,0,0|2,0,0]=4 207 B7R0.13 CC(C)(CCl)C(=O)O 2121-5-0A [1,1,0,0,0,0|2,0,0]=4 208 B7R0.13 CC(C)(CO)C(=O)O 2129-1-63 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.13 CC(N)(CO)C(=O)O 4157-1-23 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.13 CCC(C)(C)C(=O)Cl 2116-5-0E [1,1,0,0,0,0|2,0,0]=4 211 B7R0.13 CCC(C)(C)C(=O)O 2121-1-0J [1,1,0,0,0,0|1,0,0]=3 212 B7R0.13 CCC(C)(N)C(=O)O 4157-1-0J [1,1,0,0,0,0|0,0,0]=2 213 B7R0.13 CC[C@@](C)(N)C(=O)O 4157-5-R6 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.13 COC(C)(C)C(=O)O 2121-1-0G [1,1,0,0,0,0|2,0,0]=4 215 B7R0.13 C[C@@](N)(CS)C(=O)O 8161-5-S0 [1,1,0,0,0,0|0,1,0]=3 216 B7R0.13 C[C@](N)(CS)C(=O)O 8161-5-R0 [1,1,0,0,0,0|0,1,0]=3 217 B7R0.13 C[C@](O)(CBr)C(=O)O 2129-9-R0 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.13 NCC(F)(F)C(=O)O 4157-3-32 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.14 CC(C)(C)[C@H](N)CO 4156-1-X0 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.14 CCC(C)S(=O)(=O)O 6164-1-09 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.15 CNC(CS)C(=O)O 8161-5-02 [1,1,0,0,0,0|0,1,0]=3 222 B7R0.15 CN[C@@H](CO)C(=O)O 4157-1-59 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.15 N#CC(CN)C(=O)O 4158-1-37 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.15 O=C(O)C(CBr)CBr 2121-9-X9 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O 4157-1-R1 [0,1,0,0,0,1|1,0,0]=3 226 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F 4157-3-R2 [0,1,0,0,0,1|2,0,0]=4 227 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,1,0,0,0,1|1,0,0]=3 228 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,1,0,0,0,1|0,0,2]=4 229 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,1,0,0,0,1|1,0,0]=3 230 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,1,0,0,0,1|1,0,0]=3 231 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,1,0,0,0,1|1,0,0]=3 232 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-7-X0 [0,1,0,0,0,1|2,0,0]=4 233 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,1,0,0,0,1|2,0,0]=4 234 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,1,0,0,0,1|2,0,0]=4 235 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,1,0,0,0,1|1,0,0]=3 236 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,1,0,0,0,1|0,0,0]=2 237 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,1,0,0,0,1|0,0,0]=2 238 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,1,0,0,0,1|1,0,1]=4 239 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,1,0,0,0,1|1,0,1]=4 240 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,1,0,0,0,1|1,0,1]=4 241 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.6 CCOC(=O)C(Br)C(C)C 2123-9-55 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.6 CCOC(=O)C(C)C(C)C 2123-1-45 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.6 CCOC(=O)[C@H](N)C(C)C 4158-5-RT [0,2,0,0,0,0|1,0,0]=3 245 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C 4148-1-S0 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.25 COC(=O)[C@H](N)C(C)(C)C 4158-5-RU [0,2,0,0,0,0|1,0,0]=3 247 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 4158-5-0J [0,2,0,0,0,0|1,0,0]=3 248 B9R0.27 COC(=O)C(N)C(=O)OC 4158-1-18 [0,2,0,0,0,0|0,0,2]=4 249 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO 2112-1-04 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.29 CN[C@H](C(=O)OC)C(C)C 4158-5-SL [0,2,0,0,0,0|1,0,0]=3 251 B9R0.32 COC(C)(C)C(Br)C(=O)O 2121-9-02 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.32 COC(C)(C)C(N)C(=O)O 4157-1-Y2 [0,2,0,0,0,0|0,0,0]=2 253 B9R0.54 CC(C)C(C(=O)O)C(=O)O 2121-1-0N [0,2,0,0,0,0|2,0,0]=4 254 B9R0.54 CC(C)C(C(=O)O)N(C)C 4157-1-0C [0,2,0,0,0,0|1,0,0]=3 255 B9R0.72 NCC(C(=O)O)C(F)(F)F 4157-3-19 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.80 CC(N)(C(=O)O)C(F)(F)F 4157-3-30 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.80 CC(N)(C(=O)O)C(F)(F)F 4157-7-00 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.80 C[C@@](N)(C(=O)O)C(F)(F)F 4157-3-R1 [0,2,0,0,0,0|2,0,0]=4 259 B7R1.2 CC1CC(=O)CN1 4H17-5-3T [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 CC1CNC(=O)C1 4H48-1-HT [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 CC1COC(=O)O1 2H28-1-01 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 C[C@@H]1COC(=O)N1 4H48-1-RL [1,0,0,1,0,0|2,0,0]=4 263 B7R1.2 C[C@@H]1COC(=O)O1 2H26-1-R1 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.2 C[C@H]1COC(=O)N1 4H48-1-SL [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 C[C@H]1COC(=O)O1 2H28-1-S1 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.2 NC1CNC(=O)C1 4H48-5-BD [1,0,0,1,0,0|2,0,0]=4 267 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [1,0,0,1,0,0|0,0,2]=4 268 B7R1.2 O=C1C=CC(O)C1 2420-1-07 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.2 O=C1C[C@@H](O)CN1 4H48-1-59 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.2 O=C1C[C@@H](O)CO1 2H25-1-R1 [1,0,0,1,0,0|0,0,0]=2 271 B7R1.2 O=C1OCC(Br)O1 2H28-9-02 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.2 O=C1OCC(Cl)O1 2H28-1-00 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.4 C=C1CCOC1=O 2H25-1-2M [1,0,0,1,0,0|1,0,1]=4 281 B7R1.4 CC1CCOC1=O 2H25-1-2B [1,0,0,1,0,0|1,0,0]=3 282 B7R1.4 CN1CCOC1=O 4H48-1-05F [1,0,0,1,0,0|2,0,0]=4 283 B7R1.4 NC1=CCOC1=O 4H56-1-HN [1,0,0,1,0,0|0,0,2]=4 284 B7R1.4 NC1CCNC1=O 4H48-1-7A [1,0,0,1,0,0|1,0,0]=3 285 B7R1.4 NC1CCOC1=O 4H30-9-02 [1,0,0,1,0,0|0,0,0]=2 286 B7R1.4 NN1CCOC1=O 4H30-5-32 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-1-46 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-24 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.4 N[C@@H]1CCC[C@H]1O 4256-5-41 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.4 N[C@@H]1CCNC1=O 4H48-5-61 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.4 N[C@@H]1CCOC1=O 4H58-5-4W [1,0,0,1,0,0|0,0,0]=2 292 B7R1.4 N[C@@H]1COC[C@@H]1N 4H56-1-107 [1,0,0,1,0,0|1,0,1]=4 293 B7R1.4 N[C@H]1CCC[C@@H]1O 4H56-5-E1 [1,0,0,1,0,0|1,0,1]=4 294 B7R1.4 N[C@H]1CCC[C@@H]1O 4H56-5-S6 [1,0,0,1,0,0|1,0,1]=4 295 B7R1.4 N[C@H]1CCC[C@H]1O 4256-5-23 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.4 N[C@H]1CCNC1=O 4H30-1-S1 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.4 N[C@H]1CCOC1=O 4H58-5-SB [1,0,0,1,0,0|0,0,0]=2 298 B7R1.4 N[C@H]1COC[C@@H]1N 4H56-1-115 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.4 O=C1NCCC1Br 4H48-9-0N [1,0,0,1,0,0|2,0,0]=4 300 B7R1.4 O=C1NCC[C@@H]1O 4H20-1-03 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 O=C1NCC[C@H]1O 4H48-1-R2 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.4 O=C1OCC[C@H]1O 2H29-1-R0 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.4 O[C@H]1COC[C@H]1O 2H10-1-80 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,1,0,0|2,0,0]=4 305 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,1,0,0|2,0,0]=4 306 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|0,0,0]=2 308 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|0,0,0]=2 310 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,1,0,1|1,1,0]=4 311 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,1|1,0,0]=3 312 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,1|1,0,0]=3 313 B9R1.35 NC(=O)C1CC(O)CN1 4H48-1-NP [0,0,0,1,0,1|1,0,0]=3 314 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,1,0,1|2,0,0]=4 315 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,1,0,1|1,0,0]=3 316 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,1,0,1|1,0,0]=3 317 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,1,0,1|2,0,0]=4 318 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,1,0,1|1,0,0]=3 319 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,1,0,1|1,0,0]=3 320 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,1,0,1|1,0,0]=3 321 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,1,0,1|0,0,0]=2 322 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,1,0,1|1,0,0]=3 323 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,1,0,1|0,0,0]=2 324 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,1,0,1|0,0,2]=4 325 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,0,1,0,1|2,0,0]=4 326 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,0,0,1,0,1|1,0,0]=3 327 B9R1.37 CC1OC(=O)C(=O)C1C 2H29-1-0B [0,1,0,1,0,0|1,0,1]=4 328 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 4258-1-11 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.93 C=CC1CC1(N)C(=O)O 4357-1-03 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [0,1,0,1,0,0|0,0,0]=2 335 B9R1.101 COC(=O)C(N)C1CC1 4258-5-34 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.101 COC(=O)[C@@H](N)C1CC1 4H58-1-S2A [0,1,0,1,0,0|1,0,0]=3 337 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [0,1,0,1,0,0|0,0,0]=2 338 B9R1.138 CC1(C)COC(=O)[C@@H]1O 2H25-1-R0 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.138 CC1(C)COC(=O)[C@H]1O 2H25-1-S0 [0,1,0,1,0,0|2,0,0]=4 340 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,0,0,0,0,1|1,0,1]=4 341 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,0,0,0,0,1|2,0,0]=4 342 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [1,0,0,0,0,1|2,0,0]=4 343 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,0,0,0,0,1|1,0,0]=3 344 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [1,0,0,0,0,1|2,0,0]=4 345 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [1,0,0,0,0,1|2,0,0]=4 346 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,0,0,0,0,1|1,0,0]=3 347 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,0,0,0,0,1|1,0,1]=4 348 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,0,0,0,0,1|1,0,1]=4 349 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,0,0,0,0,1|1,0,1]=4 350 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [1,0,0,0,0,1|2,0,0]=4 351 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,0,0,0,0,2|0,0,2]=4 352 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,0,0,0,0,2|2,0,0]=4 353 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,0,0,0,0,2|2,0,0]=4 354 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,0,0,0,0,2|1,0,1]=4 355 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,0,0,0,0,2|1,0,1]=4 356 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,0,0,0,0,2|1,0,1]=4 357 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,0,0,0,0,2|1,0,1]=4