0 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCC(C)N=C=S 7168-1-02 [1,0,0,0,0,0|1,1,1]=4 6 B6R0.1 CCCC(C)CCl 1100-5-0A [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 OCC[C@H](O)CO 2104-1-S1 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.2 CC(C)CB(O)O 6160-1-X3 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.2 CC(C)NC(N)=S 7167-1-18 [1,0,0,0,0,0|2,1,0]=4 14 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.2 CC(O)CC(C)O 2104-1-X3 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 CN(C)CC(N)=S 7167-5-01 [1,0,0,0,0,0|2,1,0]=4 19 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 CCCCB(O)O 6160-1-06 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,0,0,0,0|0,0,0]=1 28 B6R0.4 CCCNC(N)=S 7167-1-23 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 NC(=O)NCCO 4153-1-02 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 NCCNC(N)=O 4153-5-07 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,1,0,0,0,0|0,0,0]=1 38 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.5 CCOC(=O)CC(=O)O 2123-1-84 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.5 CCOC(=O)CC(=O)[O-] 2123-1-02 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.5 CCOC(=O)CC(N)=O 4148-1-28 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.19 CCC(=O)CC(=O)OC 2129-1-X6 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.19 COC(=O)CC(=O)CCl 2129-5-X1 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.19 COC(=O)CC(=O)OC 2123-1-X5 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.24 CCC(C)CC(F)(F)F 1100-3-87 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,0,0,1,0,0|3,0,0]=4 50 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,0,0,1,0,0|3,0,0]=4 51 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,0,1,0,0|2,0,1]=4 55 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [0,0,0,1,0,0|2,0,1]=4 56 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 NC1CCCC(O)C1 4256-1-02 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 OC1CCCC(O)C1 2204-1-03 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.18 O=C1OC(Cl)C(Cl)O1 2H28-5-01 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.18 O=C1O[C@H](F)[C@@H](F)O1 2H28-3-E0 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.34 CC(=O)NC1CNC1 4H48-5-5Z [0,0,0,1,0,0|3,0,0]=4 66 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [0,0,0,1,0,0|0,0,2]=3 67 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.51 NC1CCS(=O)(=O)C1 8H70-5-X9 [0,0,0,1,0,0|2,0,1]=4 69 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [0,0,0,0,1,0|1,0,1]=3 70 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,0,0,0,1,0|1,0,0]=2 71 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,0,0,0,1,0|2,0,0]=3 72 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,0,0,0,1,0|1,0,0]=2 73 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [0,0,0,0,1,0|2,0,1]=4 74 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,0,0,0,1,0|1,0,0]=2 75 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,0,0,0,1,0|3,0,0]=4 76 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [0,0,0,0,1,0|0,0,2]=3 77 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [0,0,0,0,1,0|0,0,2]=3 78 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,0,0,0,1,0|1,0,2]=4 79 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,0,0,0,1,0|2,0,0]=3 80 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,0,0,0,1,0|2,0,0]=3 81 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [0,0,0,0,1,0|2,0,1]=4 82 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,0,0,0,1,0|1,0,0]=2 83 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,0,0,0,1,0|1,0,0]=2 84 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,0,0,0,0,1|3,0,0]=4 85 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,0,0,0,0,1|2,0,1]=4 86 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,0,0,0,0,1|2,0,1]=4 87 B5R0.1 C=CCC(C)O 2302-1-00 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 CC#CC(=O)O 2521-1-13 [2,0,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(C)CCI 1100-H-X4 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(C)CCN 3130-1-X4 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|0,0,1]=3 92 B5R0.1 CC(C)CNN 3139-5-X0 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 CC(N)CCO 4156-1-4D [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 CCCB(O)O 6160-1-X5 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|0,0,1]=3 97 B5R0.1 CCCC(C)C 1100-1-04 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 CCCC(C)O 2102-1-52 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 CCNC(N)=O 4153-1-X1 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.1 C[C@@H](N)CCO 4156-1-RB [2,0,0,0,0,0|1,0,1]=4 103 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 NC(=O)CCBr 4148-9-00 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.1 NC(=O)CCCl 4148-5-02 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.2 C#CCCCC 1500-1-X2 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.2 C=CCCCBr 1300-9-13 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.2 C=CCCCC 1300-1-48 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.2 CCCCC=O 2115-1-00 [2,0,0,0,0,0|0,0,0]=2 111 B5R0.2 CCCCCC 1100-1-18 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.2 CCCCCF 1100-3-65 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.2 CCCCCN 3130-1-X6 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.2 OCCCCF 2101-3-1V [2,0,0,0,0,0|1,0,1]=4 115 B5R0.3 CCC(C)C=O 2115-1-0C [2,0,0,0,0,0|0,0,0]=2 116 B5R0.3 CCC(C)CN 3130-1-X5 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.3 CCC(N)CC 3130-1-14 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.3 CCC(N)CO 4156-1-38 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.3 CCC(O)CN 4156-1-Z4 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.3 CC[C@H](N)CO 4156-1-W2 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.3 NC(CO)CO 4104-1-X0 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 NCC(O)CO 4156-1-Z8 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 OCC(O)CBr 2104-9-01 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 OCC(O)CS 6161-1-X4 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.3 CCC(C)CN=C=S 7168-1-12 [1,1,0,0,0,0|0,1,1]=4 127 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [1,1,0,0,0,0|0,0,0]=2 128 B7R0.9 CC(C)(C)OC(N)=O 4156-1-65 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [1,1,0,0,0,0|0,0,0]=2 130 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.4 CCCCCB(O)O 6160-1-07 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,1,0,0,0,0|1,0,0]=3 139 B7R0.4 CCCCNC(N)=S 7167-1-03 [1,1,0,0,0,0|1,1,0]=4 140 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,1,0,0,0,0|0,0,1]=3 141 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,1,0,0,0,0|0,0,0]=2 143 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,1,0,0,0,0|1,0,0]=3 148 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,1,0,0,0,0|2,0,0]=4 149 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.8 CCCCS(=O)(=O)Cl 6162-5-09 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.13 CC(C)(CF)C(=O)O 2121-3-0B [0,1,0,0,1,0|1,0,0]=3 154 B7R0.13 CC(C)(CN)C(N)=O 4148-1-38 [0,1,0,0,1,0|2,0,0]=4 155 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,1,0,0,1,0|0,0,0]=2 156 B7R0.13 CCC(F)(F)C(=O)O 2121-3-53 [0,1,0,0,1,0|1,0,0]=3 157 B7R0.13 CCC(F)(F)C(=O)[O-] 2122-3-53 [0,1,0,0,1,0|1,0,1]=4 158 B7R0.14 CCC(C)S(C)(=O)=O 6163-1-01 [0,1,0,0,1,0|1,0,1]=4 159 B7R0.15 COC(OC)C(C)=O 2117-1-16 [0,1,0,0,1,0|2,0,0]=4 160 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,1,0,0,0,1|1,0,1]=4 161 B9R0.34 CCCC(=O)OC(C)CC 2123-1-0S [0,2,0,0,0,0|2,0,0]=4 162 B9R0.34 CCOC(=O)CC(=O)CC 2129-1-08 [0,2,0,0,0,0|1,0,1]=4 163 B9R0.34 CCOC(=O)C[C@@H](O)CCl 2129-5-R1 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.34 COCC(=O)CC(=O)OC 2123-1-34 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.26 COC(=O)CC(OC)OC 2123-1-X7 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.10 CC(CC(=O)O)C(F)(F)F 2121-3-12 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.10 NC(CC(=O)O)C(F)(F)F 4157-3-04 [0,2,0,0,0,0|2,0,0]=4 168 B9R0.10 NC(CC(=O)O)C(F)(F)F 4157-7-01 [0,2,0,0,0,0|2,0,0]=4 169 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F 4157-7-R1 [0,2,0,0,0,0|2,0,0]=4 170 B9R0.10 O=C(O)CC(O)C(F)(F)F 2129-3-34 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,2,0,0,0,0|1,0,1]=4 172 B7R1.1 NCC1CCOC1 4H56-1-Q2 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.1 NCC1CCOC1 4H56-5-60 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.1 OCC1CC=CC1 2401-1-06 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.1 OCC1CCOC1 2H10-1-34 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|0,0,2]=4 177 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,1,0,0|1,0,1]=4 181 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 BrC1CCOCC1 2H10-9-19 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.3 CC1CCCCC1 1200-1-19 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.3 CC1CCNCC1 3H31-1-Q3 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.3 CN1CCOCC1 4H44-1-03 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.3 IC1CCOCC1 2H10-H-X0 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.3 NC1CCOCC1 G311-A-59 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.3 NC1CCOCC1 P911-A-50 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.3 OC1CCOCC1 2H10-1-Y4 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.12 O=C(O)C1CC1F 2221-3-0B [1,0,0,1,0,0|1,0,0]=3 192 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|0,0,0]=2 194 B7R1.14 CC1(O)CCCC1 2201-1-01 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [1,0,0,1,0,0|1,0,1]=4 197 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,0,0,1,1,0|0,0,0]=2 202 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,0,0,1,1,0|1,0,0]=3 203 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,0,0,1,1,0|1,0,0]=3 204 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,0,0,1,1,0|1,0,0]=3 205 B9R1.1 CCC1CCC(=O)CC1 2217-1-12 [0,0,0,1,0,1|1,0,0]=3 206 B9R1.1 CCN1CCC(=O)CC1 4H56-1-K4 [0,0,0,1,0,1|2,0,0]=4 207 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,1|1,0,0]=3 208 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,1,0,1|2,0,0]=4 209 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,1,0,1|2,0,0]=4 210 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,1,0,1|2,0,0]=4 211 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,1,0,1|2,0,0]=4 212 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,1,0,1|1,0,1]=4 213 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,1,0,1|1,0,1]=4 214 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,1,0,1|1,0,1]=4 215 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [0,1,0,1,0,0|1,0,0]=3 216 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,1,0,1,0,0|0,0,0]=2 217 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [0,1,0,1,0,0|0,0,0]=2 219 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.34 CC1CC(=O)CC(=O)C1 P612-A-64 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.38 CC1(C)CC(=O)OC1=O 2H26-1-08 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.2 CCN1CCCC(=O)C1 4H56-5-N3 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.128 O=C(O)CC1(CS)CC1 6261-1-X0 [0,1,0,1,0,0|0,0,0]=2 224 B9R1.79 COC(=O)CC1COC1 2H23-1-52 [0,1,0,1,0,0|1,0,0]=3 225 B9R2.25 O=C1OC(=O)C2CC12 2H26-1-X0 [0,0,0,2,0,0|1,0,1]=4 226 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,0,0,0,1,0|2,0,0]=4 227 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,0,0,0,1,0|1,0,1]=4 228 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,0,0,0,1,0|1,0,0]=3 229 B5R0.5 CC(=O)C(C)F 2117-3-11 [1,0,0,0,1,0|2,0,0]=4 230 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,0,0,0,1,0|2,0,0]=4 231 B5R0.5 CC(Br)C(N)=O 4157-9-X1 [1,0,0,0,1,0|2,0,0]=4 232 B5R0.5 CC(C)B(O)O 6160-1-X0 [1,0,0,0,1,0|1,0,1]=4 233 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,0,0,0,1,0|2,0,0]=4 234 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,0,0,0,1,0|1,0,0]=3 235 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,0,0,0,1,0|1,0,0]=3 236 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,0,0,0,1,0|2,0,0]=4 237 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,0,0,0,1,0|1,0,0]=3 238 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,0,0,0,1,0|2,0,0]=4 239 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,0,0,0,1,0|1,0,0]=3 240 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,0,0,0,1,0|2,0,0]=4 241 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,0,0,0,1,0|1,0,0]=3 242 B5R0.5 O=C(O)C(F)Br 2121-B-03 [1,0,0,0,1,0|2,0,0]=4 243 B5R0.5 O=C(O)C(F)Cl 2121-7-03 [1,0,0,0,1,0|2,0,0]=4 244 B5R0.5 O=C(O)C(F)F 2121-3-05 [1,0,0,0,1,0|2,0,0]=4 245 B5R0.5 O=C(O)C(F)I 2121-K-01 [1,0,0,0,1,0|2,0,0]=4 246 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,0,0,0,1,0|1,0,0]=3