0 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [0,0,0,0,0,0|0,0,4]=4 7 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 O=C(O)C1=CN=CN1 P612-A-11 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.7 O=C(O)C1=NC=CN1 P612-A-10 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.7 O=C(O)C1=NN=CN1 4H56-1-6N [0,0,0,0,0,0|2,0,2]=4 12 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,0,0,0,0,0|0,0,0]=0 19 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.7 OB(O)C1=CCCC1 6460-1-X1 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.1 BrCC1CCCC1 1200-9-X1 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 CNC1CCCC1 3231-1-03 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 COC1CCCC1 2207-1-01 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 ICC1CCCC1 1200-H-X0 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.1 N#CC1CCCN1 4H37-3-17 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.1 N#C[C@@H]1CCCN1 3H37-5-0J [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 NNC1CCCC1 P911-A-67 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 O=CC1CCOC1 2H15-1-1K [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 OCC1CCCC1 2301-1-X3 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 OCC1CCCN1 4H01-1-95 [1,0,0,0,0,0|0,0,1]=2 33 B7R1.1 OCC1CCNC1 4H56-5-0C [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 OCC1CCOC1 2H10-1-34 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [1,0,0,0,0,0|0,0,1]=2 36 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [1,0,0,0,0,0|0,0,1]=2 39 B9R1.11 COC(=O)C1=CCCC1 2423-1-04 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.11 COC(=O)C1CC=CC1 2423-1-X0 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.11 COC(=O)C1CCCC1 2223-1-48 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.11 COC(=O)C1CCCN1 4H23-5-03 [0,1,0,0,0,0|0,0,0]=1 43 B9R1.11 COC(=O)C1CCNC1 4H58-5-4A [0,1,0,0,0,0|2,0,0]=3 44 B9R1.11 COC(=O)C1NCCS1 8H23-5-05 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.11 COC(=O)[C@@H]1CCCN1 4H58-5-X8 [0,1,0,0,0,0|0,0,0]=1 46 B9R1.11 COC(=O)[C@H]1CCCN1 4H56-5-R5 [0,1,0,0,0,0|0,0,0]=1 47 B9R1.11 NCC(=O)N1CCCC1 4H58-5-22 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.11 O=C(CCl)N1CCCC1 4H48-5-35 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.19 FC(F)(F)C1CCCN1 3H31-3-Y5 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.19 FC(F)(F)[C@@H]1CCCN1 3H31-3-Y2 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.19 FC(F)(F)[C@@H]1CCCN1 3H31-7-S7 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.19 O=S(=O)(Cl)C1CCCC1 P311-A-17 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 4248-7-01 [0,1,0,0,0,0|1,0,0]=2 55 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,1,0,0,0,0|0,0,0]=1 56 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,1,0,0,0,0|0,0,0]=1 57 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,1,0,0,0,0|0,0,0]=1 58 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,1,0,0,0,0|0,0,0]=1 59 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,1,0,0,0,0|0,0,1]=2 61 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,1,0,0,0,0|0,0,1]=2 63 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [0,1,0,0,0,0|0,0,0]=1 64 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [0,1,0,0,0,0|0,0,0]=1 65 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [0,1,0,0,0,0|0,0,0]=1 66 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,0,1,0,0,0|1,0,1]=3 67 B7R0.4 CCCCCB(O)O 6160-1-07 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,0,1,0,0,0|2,0,0]=3 69 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,0,1,0,0,0|1,0,1]=3 70 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,0,1,0,0,0|2,0,1]=4 71 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,0,1,0,0,0|0,0,0]=1 72 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,0,1,0,0,0|1,0,0]=2 73 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,0,1,0,0,0|1,0,0]=2 74 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,0,1,0,0,0|1,0,0]=2 75 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [0,0,1,0,0,0|0,0,2]=3 76 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [0,0,1,0,0,0|0,0,0]=1 77 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,0,1,0,0,0|1,0,0]=2 80 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.15 COC(OC)C(C)=O 2117-1-16 [0,0,1,0,0,0|3,0,0]=4 82 B9R2.39 O=C1NC2C=CC1C2 4H48-1-62 [0,0,0,1,0,0|2,0,1]=4 83 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 4H48-1-S8 [0,0,0,1,0,0|2,0,1]=4 84 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 4H48-1-R8 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [0,0,0,0,1,0|2,0,0]=3 86 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [0,0,0,0,1,0|1,0,0]=2 87 B7R1.18 O=C(O)C1CNC1 P911-A-52 [0,0,0,0,1,0|1,0,0]=2 88 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,0,0,0,1,0|0,0,0]=1 89 B9R1.6 CC(=O)C1CCOCC1 2H17-1-Y6 [0,0,0,0,0,1|2,0,0]=3 90 B9R1.6 CC(=O)N1CCNCC1 4H48-1-V8 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.6 CC(O)C1CCCCC1 2202-1-1H [0,0,0,0,0,1|2,0,1]=4 92 B9R1.6 CN(C)C1CCCNC1 3H32-1-N4 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.6 NC(=O)C1CCNCC1 4H48-1-D8 [0,0,0,0,0,1|2,0,0]=3 94 B9R1.6 NC(=O)C1CCOCC1 4H48-1-H1 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.6 NC(=O)N1CCNCC1 4H53-5-03 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.6 O=C(Cl)C1CCCCC1 2216-5-06 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.6 O=C(Cl)C1CCOCC1 P311-A-24 [0,0,0,0,0,1|2,0,0]=3 98 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [0,0,0,0,0,1|1,0,1]=3 99 B9R1.6 O=C(O)C1=COCCC1 2H21-1-36 [0,0,0,0,0,1|1,0,1]=3 100 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [0,0,0,0,0,1|1,0,1]=3 101 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,0,0,0,1|0,0,0]=1 102 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,0,0,0,1|0,0,0]=1 103 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [0,0,0,0,0,1|1,0,0]=2 104 B9R1.6 O=C(O)C1CCNCC1 4257-1-14 [0,0,0,0,0,1|1,0,0]=2 105 B9R1.6 O=C(O)C1CCOCC1 P911-A-47 [0,0,0,0,0,1|1,0,0]=2 106 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [0,0,0,0,0,1|1,0,0]=2 107 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,0,0,0,0,1|0,0,0]=1 108 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [0,0,0,0,0,1|1,0,1]=3 109 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [0,0,0,0,0,1|0,0,0]=1 110 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,0,0,0,0,1|0,0,0]=1 111 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,0,0,0,0,1|0,0,0]=1 112 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [0,0,0,0,0,1|1,0,1]=3 113 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,0,0,0,1|0,0,0]=1 114 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,0,0,0,0,1|0,0,0]=1 115 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [0,0,0,0,0,1|1,0,0]=2 116 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,0,0,0,0,1|0,0,0]=1 117 B9R1.6 OB(O)C1CCCCC1 6260-1-01 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.13 CC(C)CC1CCCN1 3H31-1-U0 [0,0,0,0,0,1|2,0,1]=4 119 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [0,0,0,0,0,1|1,0,0]=2 121 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [0,0,0,0,0,1|2,0,0]=3 122 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,1,0,0,0|0,0,2]=4 123 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,1,0,0,0|0,0,2]=4 126 B6R0.4 CCCCB(O)O 6160-1-06 [1,0,1,0,0,0|1,0,1]=4 127 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,1,0,0,0|0,0,0]=2 128 B6R0.4 CCCNC(N)=S 7167-1-23 [1,0,1,0,0,0|1,1,0]=4 129 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 131 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.4 NC(=O)NCCO 4153-1-02 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,1,0,0,0|0,0,0]=2 134 B6R0.4 NCCNC(N)=O 4153-5-07 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.6 C=CCCCCO 2301-1-06 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.6 NCCCCCN 3130-1-20 [1,0,1,0,0,0|1,0,1]=4 140 B6R0.6 NCCCCCO 4156-1-0AT [1,0,1,0,0,0|0,0,1]=3 141 B6R0.6 NCCCCCO 4156-1-Z9 [1,0,1,0,0,0|0,0,1]=3 142 B6R0.6 OCCCCCBr 2101-9-0A [1,0,1,0,0,0|1,0,1]=4 143 B6R0.6 OCCCCCCl 2101-5-04 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.6 OCCNCCO 4156-1-62 [1,0,1,0,0,0|1,0,1]=4 145 B6R0.1 CCCC(O)CO 2104-1-0A [1,0,1,0,0,0|1,0,1]=4 146 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [1,0,1,0,0,0|1,0,1]=4 147 B6R0.3 CCC(N)C(=O)O 4157-1-16 [1,0,1,0,0,0|0,0,0]=2 148 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [1,0,1,0,0,0|1,0,0]=3 150 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [1,0,1,0,0,0|1,0,1]=4 151 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [1,0,1,0,0,0|0,0,0]=2 152 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [1,0,1,0,0,0|0,0,2]=4 153 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [1,0,1,0,0,0|0,0,2]=4 154 B6R0.3 NCC(F)C(=O)O 4157-3-02 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [1,0,1,0,0,0|1,0,0]=3 156 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [1,0,1,0,0,0|0,0,0]=2 157 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [1,0,1,0,0,0|0,0,0]=2 158 B6R0.9 CCC(CC)NC 3131-5-01 [1,0,1,0,0,0|1,0,1]=4 159 B6R0.9 COC(C=O)OC 2115-1-X1 [1,0,1,0,0,0|2,0,0]=4 160 B6R1.2 BrC1CCCC1 1200-9-01 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 CC1CCCC1 1200-1-07 [2,0,0,0,0,0|1,0,1]=4 162 B6R1.2 CC1CCCO1 2H10-1-01 [2,0,0,0,0,0|1,0,1]=4 163 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [2,0,0,0,0,0|0,0,1]=3 164 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [2,0,0,0,0,0|0,0,1]=3 165 B6R1.2 ClC1CCCC1 1200-5-02 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.2 O=C1CCCC1 2217-1-01 [2,0,0,0,0,0|1,0,1]=4 167 B6R1.2 O=C1NCCS1 8H70-1-8S [2,0,0,0,0,0|1,0,1]=4 168 B6R1.2 OC1CCNC1 4H01-5-23 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 OC1CCNC1 4H56-1-831 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 OC1CCOC1 2H10-1-87 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [2,0,0,0,0,0|2,0,0]=4 175 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.2 O[C@H]1CCOC1 G311-A-08 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 S=C1CCCN1 7H67-1-31 [2,0,0,0,0,0|0,1,1]=4 178 B8R0.5 CCOC(=O)CC(=O)O 2123-1-84 [0,1,1,0,0,0|2,0,0]=4 179 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.7 CCCCCCC(=O)O 2121-1-14 [0,1,1,0,0,0|1,0,0]=3 181 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [0,1,1,0,0,0|1,0,0]=3 183 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,1,1,0,0,0|0,0,1]=3 184 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,1,1,0,0,0|1,0,1]=4 185 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,1,1,0,0,0|1,0,1]=4 186 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,1,1,0,0,0|0,0,0]=2 187 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,1,1,0,0,0|0,0,0]=2 188 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,1,1,0,0,0|1,0,0]=3 189 B8R0.3 COCC(Br)C(=O)OC 2123-9-23 [0,1,1,0,0,0|2,0,0]=4 190 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,1,1,0,0,0|0,0,1]=3 191 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,1,1,0,0,0|0,0,1]=3 192 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,1,1,0,0,0|1,0,0]=3 193 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [1,1,0,0,0,0|0,0,2]=4 196 B8R1.8 COC[C@@H]1CCCN1 4H56-1-S7 [1,1,0,0,0,0|0,0,1]=3 197 B8R1.11 CN1CCC[C@@H]1CO 4H56-1-RG [1,1,0,0,0,0|0,0,1]=3 198 B8R1.11 CN1CCC[C@H]1CN 3H32-1-S0 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,1,0,0,1,0|0,0,1]=3 200 B8R1.23 CC(=O)N1CC(N)C1 4H48-5-71 [0,1,0,0,1,0|2,0,0]=4 201 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,1,0,0,1,0|1,0,0]=3 202 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,1,0,0,1,0|0,0,0]=2 203 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,1,0,0,1,0|0,0,1]=3 204 B8R1.38 COC(=O)C1CNC1 4H23-5-35 [0,1,0,0,1,0|1,0,0]=3 205 B8R1.78 CC1(C(=O)O)COC1 2H21-1-42 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,1,0,0,0,1|1,0,0]=3 207 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,1,0,0,0,1|1,0,0]=3 208 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,1,0,0,0,1|1,0,0]=3 209 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,1,0,0,0,1|1,0,0]=3 210 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,1,0,0,0,1|1,0,0]=3 211 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,1,0,0,0,1|1,0,0]=3 212 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,1,0,0,0,1|1,0,0]=3 213 B10R1.15 CNC(=O)C1CCNCC1 4H48-1-007 [0,1,0,0,0,1|2,0,0]=4 214 B10R1.15 COC(=O)C1=CCCCC1 2423-1-00 [0,1,0,0,0,1|1,0,1]=4 215 B10R1.15 COC(=O)C1CC=CCC1 2423-1-07 [0,1,0,0,0,1|1,0,1]=4 216 B10R1.15 COC(=O)C1CCNCC1 4H58-1-0B [0,1,0,0,0,1|1,0,0]=3 217 B10R1.15 COC(=O)C1CCOCC1 2H23-1-X3 [0,1,0,0,0,1|1,0,0]=3 218 B10R1.15 COC(=O)[C@H]1CCCNC1 4H23-5-S2 [0,1,0,0,0,1|0,0,0]=2 219 B10R1.15 O=C(CBr)C1CCOCC1 2H17-9-0B [0,1,0,0,0,1|2,0,0]=4 220 B10R1.61 CN1CCCCC1C(=O)O 4H21-5-Z2 [0,1,0,0,0,1|0,0,0]=2 221 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,1,0,0,0,1|0,0,0]=2 222 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,1,0,0,0,1|1,0,0]=3 223 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,1,0,0,0,1|0,0,0]=2 224 B10R1.363 CC1(C(=O)O)CCCCC1 2221-1-X0 [0,1,0,0,0,1|1,0,0]=3 225 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-1-BF [0,1,0,0,0,1|0,0,0]=2 226 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-5-94 [0,1,0,0,0,1|0,0,0]=2 227 B10R1.363 NC1(C(=O)O)CCCCC1 4257-1-17 [0,1,0,0,0,1|1,0,0]=3 228 B10R1.363 O=C(O)C1(O)CCCCC1 2229-1-0U [0,1,0,0,0,1|1,0,0]=3 229 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,1,0,0,0,1|1,0,0]=3 230 B10R1.27 NCC(=O)NC1CCCC1 4H58-5-21 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.27 O=C(CCl)NC1CCCC1 4248-5-02 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.11 CCOC(=O)[C@@H]1CCCN1 4H58-5-SF [0,2,0,0,0,0|0,0,0]=2 233 B10R1.14 COC(=O)C1CCC(=O)C1 2229-1-X4 [0,2,0,0,0,0|1,0,1]=4 234 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 4H58-1-BE [0,2,0,0,0,0|0,0,1]=3 235 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-30 [0,2,0,0,0,0|1,0,0]=3 236 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 4H29-5-X3 [0,2,0,0,0,0|0,0,0]=2 237 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 4H58-1-FM [0,2,0,0,0,0|0,0,1]=3 238 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-5-X1 [0,2,0,0,0,0|0,0,0]=2 239 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 4H29-5-X2 [0,2,0,0,0,0|0,0,0]=2 240 B10R1.149 COC(=O)C1CCCC1=O 2229-1-14 [0,2,0,0,0,0|1,0,0]=3 241 B10R1.149 COC(=O)C1CSCC1=O 6H66-1-Y1 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.411 COC(=O)C1(C)CCCO1 2H23-1-47 [0,2,0,0,0,0|1,0,0]=3 243 B10R1.411 COC(=O)[C@]1(C)CCCN1 4H58-5-S0 [0,2,0,0,0,0|0,0,0]=2 244 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 4H48-7-S0 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.4 C[C@H]1CNC[C@@H](C)O1 4H31-1-X0 [0,0,1,1,0,0|1,0,1]=4 246 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [0,0,1,1,0,0|1,0,1]=4 247 B8R1.4 NC1CCCC(O)C1 4256-1-02 [0,0,1,1,0,0|1,0,1]=4 248 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,1,1,0,0|2,0,0]=4 249 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,1,1,0,0|2,0,0]=4 250 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,1,1,0,0|1,0,0]=3 251 B8R1.34 O=C(O)C=C1CCC1 2421-1-08 [0,0,1,1,0,0|1,0,1]=4 252 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,0,1,1,0,0|2,0,0]=4 253 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [0,0,1,1,0,0|1,0,1]=4 254 B8R1.5 CC1CCCCC1=O 2217-1-1E [0,0,1,1,0,0|2,0,0]=4 255 B8R1.5 NC1CCCCC1O 4256-1-X3 [0,0,1,1,0,0|1,0,1]=4 256 B8R1.5 NC1CCCNC1=O 4H48-1-3C [0,0,1,1,0,0|1,0,0]=3 257 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [0,0,1,1,0,0|1,0,1]=4 258 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [0,0,1,1,0,0|1,0,1]=4 259 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [0,0,1,1,0,0|1,0,1]=4 260 B8R1.63 N#CC1(C(=O)O)CC1 4237-1-10 [0,0,1,1,0,0|2,0,0]=4 261 B8R2.34 C1OC2CNC1C2 4H56-5-2E [1,0,0,1,0,0|0,0,1]=3 262 B10R2.71 O=C1CC2CCC(C1)N2 4H56-5-M6 [0,0,0,1,0,1|1,0,0]=3 263 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)N2 4H56-1-KZ [0,0,0,1,0,1|1,0,1]=4 264 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 4H56-5-61 [0,0,0,1,0,1|1,0,1]=4 265 B6R1.6 BrCC1CCC1 1200-9-21 [1,0,0,0,1,0|1,0,1]=4 266 B6R1.6 N#CC1CCC1 3237-1-05 [1,0,0,0,1,0|1,0,1]=4 267 B6R1.6 NCC1CCC1 3230-5-03 [1,0,0,0,1,0|1,0,1]=4 268 B6R1.6 O=CC1CCC1 2215-1-03 [1,0,0,0,1,0|0,0,0]=2 269 B6R1.6 OCC1COC1 2H10-1-44 [1,0,0,0,1,0|1,0,1]=4 270 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,0,0,2,0|1,0,0]=3 271 B6R1.11 CC(O)C1CC1 2202-1-14 [0,0,0,0,2,0|1,0,1]=4 272 B6R1.11 N=C(N)C1CC1 3241-5-X2 [0,0,0,0,2,0|2,0,0]=4 273 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,0,0,2,0|1,0,0]=3 274 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,0,0,2,0|0,0,0]=2 275 B6R1.11 OB(O)C1CC1 P911-A-22 [0,0,0,0,2,0|1,0,1]=4 276 B8R1.2 COC1CCCNC1 4H07-1-80 [1,0,0,0,0,1|2,0,0]=4 277 B8R1.2 CO[C@H]1CCCNC1 4H01-5-S1 [1,0,0,0,0,1|2,0,0]=4 278 B8R1.2 FCC1CCCNC1 3H31-7-1L [1,0,0,0,0,1|1,0,1]=4 279 B8R1.2 N#CC1CCCCN1 4H22-1-09 [1,0,0,0,0,1|1,0,1]=4 280 B8R1.2 N#CC1CCCNC1 3H37-1-24 [1,0,0,0,0,1|1,0,1]=4 281 B8R1.2 NCC1CCCCN1 3H30-1-5K [1,0,0,0,0,1|1,0,1]=4 282 B8R1.2 NCC1CCCNC1 3H30-1-LF [1,0,0,0,0,1|1,0,1]=4 283 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [1,0,0,0,0,1|1,0,1]=4 284 B8R1.2 O=CC1CCC=CO1 2H15-1-1G [1,0,0,0,0,1|1,0,1]=4 285 B8R1.2 O=CC1CCCOC1 2H15-1-21 [1,0,0,0,0,1|1,0,0]=3 286 B8R1.2 O=CC1CCOCC1 P311-A-93 [1,0,0,0,0,1|1,0,0]=3 287 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [1,0,0,0,0,1|2,0,0]=4 288 B8R1.2 OCC1CCCCO1 2H01-1-07 [1,0,0,0,0,1|1,0,1]=4 289 B8R1.2 OCC1CCNCC1 4H56-1-04 [1,0,0,0,0,1|1,0,1]=4 290 B8R1.2 OCC1CCOCC1 2H01-1-X5 [1,0,0,0,0,1|1,0,1]=4 291 B8R1.2 OC[C@H]1CNCCN1 4H33-5-R0 [1,0,0,0,0,1|0,0,1]=3 292 B8R1.2 OC[C@H]1COCCN1 4H56-5-SE [1,0,0,0,0,1|0,0,1]=3 293 B10R1.18 CC(=O)NC1CCNCC1 4H48-1-5B [0,0,0,0,0,2|2,0,0]=4 294 B10R1.18 NC(=O)NC1CCNCC1 4H53-5-01 [0,0,0,0,0,2|2,0,0]=4 295 B10R1.18 O=C(Cl)CC1CCOCC1 2H16-5-X5 [0,0,0,0,0,2|2,0,0]=4 296 B10R1.18 O=C(O)CC1CCCCC1 2221-1-18 [0,0,0,0,0,2|1,0,0]=3 297 B10R1.18 O=C(O)CC1CCNCC1 4H21-1-92 [0,0,0,0,0,2|1,0,0]=3 298 B10R1.18 O=C(O)CC1CCOCC1 2H21-1-Z2 [0,0,0,0,0,2|1,0,0]=3 299 B10R1.18 O=C(O)CN1CCCCC1 4H56-5-Y4 [0,0,0,0,0,2|2,0,0]=4 300 B10R1.18 O=C(O)CN1CCNCC1 4H57-1-W4 [0,0,0,0,0,2|2,0,0]=4 301 B10R1.18 O=C(O)CN1CCOCC1 4H21-5-Z7 [0,0,0,0,0,2|2,0,0]=4 302 B10R1.348 O=C(O)C1CCCCCC1 2221-1-X8 [0,0,0,0,0,2|1,0,0]=3 303 B10R1.66 O=C(O)CCC1CCCC1 2221-1-53 [0,0,0,0,0,2|1,0,0]=3 304 B10R1.66 O=C(O)CCN1CCCC1 4H57-5-02 [0,0,0,0,0,2|2,0,0]=4