0 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,0,0,0,0,0|2,0,1]=3 1 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 CN1CCC(Cl)CC1 3H32-5-U2 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.3 CN1CCC(N)CC1 3H32-1-M2 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.3 CN1CCC(O)CC1 4H56-1-XM [0,0,0,0,0,0|1,0,2]=3 5 B8R1.3 CN1CCN(C)CC1 3H32-1-3M [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 C[C@H]1CC[C@H](N)CC1 3230-1-X3 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.3 C[C@H]1CN[C@H](C)CN1 3H31-1-5U [0,0,0,0,0,0|3,0,1]=4 8 B8R1.3 N[C@H]1CC[C@@H](O)CC1 4256-5-15 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.3 N[C@H]1CC[C@H](O)CC1 4256-1-X6 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.3 N[C@H]1CC[C@H](O)CC1 4H56-5-L1 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.3 O=C1CNC(=O)CN1 4H48-1-Q2 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.3 O=C1COC(=O)CO1 2H08-1-X0 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.3 OC1CCC(O)CC1 2204-1-X0 [0,0,0,0,0,0|1,0,2]=3 14 B7R1.3 BrC1CCOCC1 2H10-9-19 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 CC1=CCC=CC1 1200-1-0A [1,0,0,0,0,0|0,0,3]=4 16 B7R1.3 CC1=CCCCC1 1400-1-04 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.3 CC1=CCCNC1 3H31-5-0N [1,0,0,0,0,0|2,0,1]=4 18 B7R1.3 CC1CCCCC1 1200-1-19 [1,0,0,0,0,0|0,0,1]=2 19 B7R1.3 CC1CCCCN1 3H31-1-00 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.3 CC1CCNCC1 3H31-1-Q3 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.3 CC1CNCCO1 4H56-1-9N [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 CC1COCCN1 4H56-1-98 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.3 CN1CCNCC1 3H32-1-L1 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 CN1CCOCC1 4H44-1-03 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [1,0,0,0,0,0|2,0,1]=4 26 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [1,0,0,0,0,0|2,0,1]=4 27 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 FC1CCCCC1 1200-3-02 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 FC1CCNCC1 3H31-7-X9 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 IC1CCOCC1 2H10-H-X0 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 NC1CCCNC1 3H30-5-61 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 NC1CCOCC1 G311-A-59 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 NC1CCOCC1 P911-A-50 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 NC1CCSCC1 7H66-1-Y1 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 NN1CCOCC1 4H56-1-VA [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 O=C1C=CCCC1 2417-1-X1 [1,0,0,0,0,0|0,0,2]=3 38 B7R1.3 O=C1C=CCCO1 2H25-1-78 [1,0,0,0,0,0|1,0,2]=4 39 B7R1.3 O=C1CCCCN1 4H48-1-1L [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 O=C1CCCCO1 2H25-1-X4 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 O=C1CCCNC1 4H56-5-M8 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 O=C1CCCOC1 2H17-1-09 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 O=C1CCCSC1 6H66-1-40 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 O=C1CCNCC1 4H17-1-3B [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1CCNCC1 4H56-5-3R [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 O=C1CCOCC1 P911-A-16 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 O=C1CNCCN1 4H48-1-W4 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 O=C1COCCN1 4H58-1-05 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 O=C1OCCCO1 2H28-1-13 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 OC1CCCNC1 4H56-5-90 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.3 OC1CCCOC1 2H10-1-41 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.3 OC1CCNCC1 4H56-1-UJ [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 OC1CCOCC1 2H10-1-Y4 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [1,0,0,0,0,0|1,0,2]=4 57 B7R1.3 SC1CCCCC1 5261-1-04 [1,0,0,0,0,0|0,1,1]=3 58 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.3 [C@@H]1(N)CCCNC1 3H30-5-R1 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.3 [C@H]1(N)CCCNC1 3H30-5-V8 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [1,0,0,0,0,0|1,0,2]=4 62 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 CCC1CCC(=O)CC1 2217-1-12 [0,1,0,0,0,0|0,0,0]=1 64 B9R1.1 CCC1CCC(C)NC1 3H31-1-1D [0,1,0,0,0,0|2,0,1]=4 65 B9R1.1 CCN1CCC(=O)CC1 4H56-1-K4 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.1 CCN1CCC(N)CC1 3H30-1-64 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.1 CN1CCC(C#N)CC1 3H37-1-23 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.1 CN1CCC(CN)CC1 P911-A-66 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 CN1CCC(CO)CC1 4H56-1-KU [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CN1CCC(NN)CC1 3H39-5-X8 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 CNC1CCN(C)CC1 3H31-1-9C [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 CNC1CCN(C)CC1 3H31-5-16 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 CN[C@H]1CC[C@H](O)CC1 4256-1-71 [0,1,0,0,0,0|0,0,2]=3 74 B9R1.1 N#CC1CCC(N)CC1 3237-5-04 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.10 CC1(C)C=CC(=O)CC1 2417-1-02 [0,1,0,0,0,0|0,0,2]=3 76 B9R1.10 CC1(C)CCC(=O)CC1 G311-A-56 [0,1,0,0,0,0|0,0,0]=1 77 B9R1.10 FC1(F)CCC(Br)CC1 1200-B-02 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.10 NC1CCC(F)(F)CC1 3230-7-X1 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.10 NC1CCS(=O)(=O)CC1 8H63-5-58 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.10 O=C1CCC(F)(F)CC1 2217-3-44 [0,1,0,0,0,0|1,0,0]=2 81 B9R1.10 O=C1CCS(=O)(=O)CC1 6H63-1-16 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.10 OC1CCC(F)(F)CC1 2202-3-44 [0,1,0,0,0,0|1,0,2]=4 83 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 C=CCCC(=O)OC 2323-1-0J [0,0,1,0,0,0|1,0,2]=4 85 B7R0.3 CCC(C)CN=C=S 7168-1-12 [0,0,1,0,0,0|1,1,1]=4 86 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,0,1,0,0,0|1,0,2]=4 87 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,0,1,0,0,0|2,0,0]=3 89 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,0,1,0,0,0|2,0,0]=3 90 B7R0.3 COC(=O)CCCN 4158-5-18 [0,0,1,0,0,0|2,0,0]=3 91 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,0,1,0,0,0|1,0,1]=3 92 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,0,1,0,0,0|0,0,2]=3 94 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,0,1,0,0,0|1,0,0]=2 95 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,0,1,0,0,0|2,0,0]=3 96 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,0,1,0,0,0|2,0,0]=3 97 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,0,1,0,0,0|2,0,0]=3 99 B7R0.6 CN(C)CCN(C)C 3132-1-06 [0,0,1,0,0,0|3,0,0]=4 100 B9R2.49 C1CN2CCN1CC2 3H32-1-14 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,0,0,0,1,0|0,0,2]=3 102 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,0,0,0,1,0|2,0,1]=4 103 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,0,0,0,1,0|1,0,2]=4 104 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,0,0,0,1,0|1,0,2]=4 105 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,0,0,0,1,0|1,0,2]=4 106 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,0,0,0,1,0|1,0,1]=3 107 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,0,0,0,1,0|2,0,1]=4 108 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,0,0,0,1,0|2,0,1]=4 109 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,0,0,0,1,0|2,0,0]=3 111 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,0,0,0,1,0|3,0,0]=4 112 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,0,0,0,1,0|3,0,0]=4 113 B6R0.1 CCCC(=O)NN 4156-1-15 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.1 CCCC(C)CCl 1100-5-0A [1,0,1,0,0,0|1,0,1]=4 115 B6R0.1 CCOC(=O)CCl 2123-5-01 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.1 CCOC(=O)CN 4158-5-25 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.1 CCOC(=O)CS 6161-1-03 [1,0,1,0,0,0|2,0,0]=4 118 B6R0.1 CNC(=O)CCN 4148-1-13 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.1 CNCC(=O)OC 4158-5-X0 [1,0,1,0,0,0|2,0,0]=4 120 B6R0.1 COC(=O)CCN 4158-1-02 [1,0,1,0,0,0|2,0,0]=4 121 B6R0.1 COC(=O)CSC 6166-1-06 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,1,0,0,0|1,0,0]=3 124 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,1,0,0,0|1,0,0]=3 126 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,1,0,0,0|1,0,0]=3 127 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 128 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.6 C=CCCCCO 2301-1-06 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,1,0,0,0|0,0,0]=2 134 B6R0.6 CCCCCCCl 1100-5-29 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.6 CCCCCCF 1100-3-61 [1,0,1,0,0,0|1,0,1]=4 136 B6R1.1 C1=CCOCC1 2H10-1-53 [2,0,0,0,0,0|1,0,1]=4 137 B6R1.1 C1=COCCC1 2H02-1-12 [2,0,0,0,0,0|1,0,1]=4 138 B6R1.1 C1CCCCC1 1200-1-06 [2,0,0,0,0,0|0,0,1]=3 139 B6R1.1 C1CNCCN1 3H31-1-03 [2,0,0,0,0,0|2,0,0]=4 140 B6R1.1 C1COCCN1 4H31-1-01 [2,0,0,0,0,0|2,0,0]=4 141 B6R1.1 C1COCCO1 2H08-1-14 [2,0,0,0,0,0|2,0,0]=4 142 B6R1.1 C1CSCCN1 7H70-1-Z9 [2,0,0,0,0,0|2,0,0]=4 143 B6R1.1 C1CSCSC1 5H66-1-31 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.1 CCOC(=O)CCCBr 2123-9-X0 [0,1,1,0,0,0|1,0,0]=3 145 B8R0.3 COCC(Br)C(=O)OC 2123-9-23 [0,1,1,0,0,0|2,0,0]=4 146 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 2115-1-X0 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,1,1,0,0,0|0,0,2]=4 148 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,1,0,0,0|0,0,0]=2 149 B8R0.6 CCCCCC(O)CC 2102-1-11 [0,1,1,0,0,0|0,0,2]=4 150 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,1,1,0,0,0|1,0,0]=3 151 B8R0.11 CCCCC(CC)CBr 1100-9-18 [0,1,1,0,0,0|1,0,1]=4 152 B8R0.19 CCC(=O)CC(=O)OC 2129-1-X6 [0,1,1,0,0,0|1,0,1]=4 153 B8R0.19 CCC(=O)OC(=O)CC 2126-1-03 [0,1,1,0,0,0|1,0,1]=4 154 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,1,1,0,0,0|1,0,0]=3 155 B8R0.29 CC(=O)CCC(F)(F)F 2117-3-26 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,1,1,0,0,0|2,0,0]=4 157 B8R1.2 BrCC1CCOCC1 P311-A-04 [1,1,0,0,0,0|1,0,0]=3 158 B8R1.2 C#CC1=CCCCC1 1500-1-15 [1,1,0,0,0,0|1,0,1]=4 159 B8R1.2 C#CC1CCOCC1 2H10-1-52 [1,1,0,0,0,0|1,0,1]=4 160 B8R1.2 CCC1CCNCC1 3H31-5-14 [1,1,0,0,0,0|1,0,0]=3 161 B8R1.2 CCN1CCNCC1 3H32-1-3W [1,1,0,0,0,0|2,0,0]=4 162 B8R1.2 CNC1CCCCC1 3231-1-04 [1,1,0,0,0,0|0,0,1]=3 163 B8R1.2 CNC1CCOCC1 P612-A-50 [1,1,0,0,0,0|1,0,0]=3 164 B8R1.2 COC1CCCNC1 4H07-1-80 [1,1,0,0,0,0|1,0,1]=4 165 B8R1.2 COC1CCNCC1 4H56-1-YG [1,1,0,0,0,0|1,0,0]=3 166 B8R1.2 CO[C@H]1CCCNC1 4H01-5-S1 [1,1,0,0,0,0|1,0,1]=4 167 B8R1.2 CSC1CCNCC1 7H66-5-03 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.2 ClCC1CCCCO1 2H10-5-00 [1,1,0,0,0,0|1,0,1]=4 169 B8R1.2 FCC1CCCNC1 3H31-7-1L [1,1,0,0,0,0|1,0,1]=4 170 B8R1.2 ICC1CCOCC1 2H10-H-03 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.2 N#CC1CCCCC1 3237-1-Y9 [1,1,0,0,0,0|0,0,2]=4 172 B8R1.2 N#CC1CCNCC1 3H37-1-4T [1,1,0,0,0,0|1,0,1]=4 173 B8R1.2 N#CC1CCNCC1 3H37-5-19 [1,1,0,0,0,0|1,0,1]=4 174 B8R1.2 N#CC1CCOCC1 4H37-1-0X [1,1,0,0,0,0|1,0,1]=4 175 B8R1.2 NCC1CCCCN1 3H30-1-5K [1,1,0,0,0,0|1,0,1]=4 176 B8R1.2 NCC1CCCCO1 4H56-1-5C [1,1,0,0,0,0|1,0,1]=4 177 B8R1.2 NCC1CCCCO1 4H56-5-G2 [1,1,0,0,0,0|1,0,1]=4 178 B8R1.2 NCC1CCCNC1 3H30-1-LF [1,1,0,0,0,0|1,0,1]=4 179 B8R1.2 NCC1CCOCC1 4H30-5-19 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.2 NCC1CCOCC1 P612-A-48 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.2 NNC1CCCCC1 3239-5-X0 [1,1,0,0,0,0|1,0,1]=4 182 B8R1.2 NNC1CCOCC1 4H39-5-04 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.2 O=CC1CCCOC1 2H15-1-21 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.2 O=CC1CCOCC1 P311-A-93 [1,1,0,0,0,0|1,0,1]=4 186 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.2 OCC1CCCCO1 2H01-1-07 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.2 OCC1CCNCC1 4H56-1-04 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.2 OCC1CCOCC1 2H01-1-X5 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.2 [C-]#[N+]C1CCCCC1 3237-1-00 [1,1,0,0,0,0|0,0,2]=4 191 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.4 CC1CCCC(C)N1 3H31-1-Q2 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [1,1,0,0,0,0|2,0,0]=4 195 B8R1.4 CN1CCCC(N)C1 3H32-5-Q9 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [1,1,0,0,0,0|1,0,1]=4 197 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [1,1,0,0,0,0|2,0,0]=4 198 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [1,1,0,0,0,0|0,0,2]=4 199 B8R1.4 NC1CCCC(O)C1 4256-1-02 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [1,1,0,0,0,0|0,0,1]=3 201 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.4 OC1CCCC(O)C1 2204-1-03 [1,1,0,0,0,0|0,0,2]=4 203 B8R1.5 CC1=CCCCC1=O 2417-1-01 [1,1,0,0,0,0|0,0,2]=4 204 B8R1.5 CC1CCCCC1=O 2217-1-1E [1,1,0,0,0,0|0,0,0]=2 205 B8R1.5 CC1CCCCC1O 2102-1-X1 [1,1,0,0,0,0|0,0,1]=3 206 B8R1.5 CC1CNCCC1O 4H56-5-B5 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.5 CC1CNCCN1C 3H32-1-82 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 CN1CCNCC1=O 4H17-1-16 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 CN1CCNCC1=O 4H48-5-BC [1,1,0,0,0,0|2,0,0]=4 210 B8R1.5 CN1CCOCC1=O 4H48-1-4C [1,1,0,0,0,0|2,0,0]=4 211 B8R1.5 FC1CCCCC1Br 1200-B-12 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.5 NC1CCCCC1O 4256-1-X3 [1,1,0,0,0,0|0,0,2]=4 213 B8R1.5 NC1CCCNC1=O 4H48-1-3C [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-03 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-16 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [1,1,0,0,0,0|0,0,2]=4 217 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [1,1,0,0,0,0|0,0,2]=4 218 B8R1.5 N[C@H]1CCCC[C@@H]1N 3230-1-17 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [1,1,0,0,0,0|0,0,2]=4 220 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [1,1,0,0,0,0|0,0,1]=3 221 B8R1.5 O=C1CCNCC1F 4H56-7-14 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.72 CC1(C)CCNCC1 3H31-1-26 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.72 CC1(O)CCNCC1 4H56-5-0B [1,1,0,0,0,0|1,0,0]=3 224 B8R1.72 C[N+]1([O-])CCOCC1 4H45-1-67 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.72 FC1(F)CCNCC1 3H31-3-0U [1,1,0,0,0,0|2,0,0]=4 226 B8R1.72 FC1(F)CCNCC1 3H33-7-44 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.72 OC1(O)CCNCC1 4H56-5-V1 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,1,0,0,1,0|1,0,1]=4 232 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,1,0,0,1,0|1,0,1]=4 233 B8R1.1 CN1CCC(CN)C1 3H32-1-C0 [0,1,0,0,1,0|2,0,0]=4 234 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,1,0,0,1,0|1,0,0]=3 235 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,1,0,0,1,0|2,0,0]=4 236 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,1,0,0,1,0|2,0,0]=4 237 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,1,0,0,1,0|2,0,0]=4 238 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,1,0,0,1,0|2,0,0]=4 239 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,1,0,0,1,0|1,0,1]=4 240 B8R1.51 NC1CCS(=O)(=O)C1 8H70-5-X9 [0,1,0,0,1,0|2,0,0]=4 241 B10R1.1 CCCC1CCC(=O)CC1 2217-1-X4 [0,2,0,0,0,0|0,0,0]=2 242 B10R1.1 CCOC1CCC(=O)CC1 2217-1-X0 [0,2,0,0,0,0|0,0,0]=2 243 B10R1.1 CNCC1CCN(C)CC1 3H31-1-23 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.1 C[C@H]1CC[C@H](N=C=O)CC1 4249-1-04 [0,2,0,0,0,0|0,0,1]=3 245 B10R1.3 N#CC1CCN(C=O)CC1 4H37-1-15 [0,2,0,0,0,0|1,0,1]=4 246 B10R1.3 NCC1CCC(CN)CC1 3230-1-14 [0,2,0,0,0,0|1,0,1]=4 247 B10R1.3 OCC1CCC(CO)CC1 2204-1-0J [0,2,0,0,0,0|0,0,2]=4 248 B10R1.13 CC(=O)N1CCC(=O)CC1 4H18-1-03 [0,2,0,0,0,0|1,0,0]=3 249 B10R1.13 CC(=O)N1CCC(N)CC1 4H48-1-L5 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.13 CC(=O)N1CCC(O)CC1 4H20-1-07 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,2,0,0,0,0|0,0,1]=3 252 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,2,0,0,0,0|1,0,1]=4 253 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,2,0,0,0,0|1,0,1]=4 254 B10R1.13 CN1CCN(C(=O)Cl)CC1 4H16-5-Z6 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,2,0,0,0,0|1,0,1]=4 257 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,2,0,0,0,0|1,0,1]=4 258 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,2,0,0,0,0|0,0,1]=3 259 B10R1.26 OCC1CCC(F)(F)CC1 2201-3-03 [0,2,0,0,0,0|1,0,1]=4 260 B10R1.63 CC1(C)CCC(=O)CC1=O 2218-1-13 [0,2,0,0,0,0|0,0,1]=3 261 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,1,1,0,0|0,0,0]=2 262 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,1,1,0,0|1,0,0]=3 263 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,1,1,0,0|1,0,0]=3 264 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,1,1,0,0|1,0,0]=3 265 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,1,1,0,0|2,0,0]=4 266 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,1,1,0,0|2,0,0]=4 268 B8R1.22 OC1CCCCCC1 2202-1-X0 [0,0,1,1,0,0|0,0,2]=4 269 B8R1.38 COC(=O)C1CNC1 4H23-5-35 [0,0,1,1,0,0|2,0,0]=4 270 B8R1.40 O=C(CCl)NC1CC1 4248-5-01 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.23 CC(=O)N1CC(N)C1 4H48-5-71 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,1,1,0,0|2,0,0]=4 274 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,1,1,0,0|1,0,0]=3 275 B8R2.38 O=C1CCC2CC12 2217-1-33 [1,0,0,1,0,0|0,0,0]=2 276 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 2H12-1-02 [0,0,0,1,0,1|1,0,0]=3 277 B10R2.62 N[C@H]1CN2CCC1CC2 3230-5-X0 [0,1,0,1,0,0|2,0,0]=4 278 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,0,1,0,1,0|1,0,1]=4 279 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,0,1,0,1,0|0,0,0]=2 280 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,0,1,0,1,0|1,0,0]=3 281 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,0,1,0,1,0|2,0,0]=4 282 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,0,1,0,1,0|2,0,0]=4 283 B6R1.2 BrC1CCCC1 1200-9-01 [1,0,0,0,1,0|1,0,0]=3 284 B6R1.2 CC1CCCC1 1200-1-07 [1,0,0,0,1,0|0,0,0]=2 285 B6R1.2 CC1CCCO1 2H10-1-01 [1,0,0,0,1,0|1,0,0]=3 286 B6R1.2 CC1CCNC1 3H31-5-95 [1,0,0,0,1,0|1,0,0]=3 287 B6R1.2 CC1OCCO1 2H08-1-01 [1,0,0,0,1,0|2,0,0]=4 288 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [1,0,0,0,1,0|1,0,0]=3 289 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [1,0,0,0,1,0|1,0,0]=3 290 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [1,0,0,0,1,0|1,0,0]=3 291 B6R1.2 ClC1CCCC1 1200-5-02 [1,0,0,0,1,0|1,0,0]=3 292 B6R1.2 FC1CCNC1 3H31-3-64 [1,0,0,0,1,0|2,0,0]=4 293 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [1,0,0,0,1,0|2,0,0]=4 294 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [1,0,0,0,1,0|2,0,0]=4 295 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [1,0,0,0,1,0|2,0,0]=4 296 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [1,0,0,0,1,0|2,0,0]=4 297 B6R1.2 NC1CCOC1 4H30-1-07 [1,0,0,0,1,0|2,0,0]=4 298 B6R1.2 NC1CCOC1 4H56-5-2A [1,0,0,0,1,0|2,0,0]=4 299 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [1,0,0,0,1,0|2,0,0]=4 300 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [1,0,0,0,1,0|2,0,0]=4 301 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [1,0,0,0,1,0|2,0,0]=4 302 B6R1.2 O=C1C=CCC1 2417-1-X0 [1,0,0,0,1,0|0,0,2]=4 303 B6R1.2 O=C1CCCC1 2217-1-01 [1,0,0,0,1,0|0,0,0]=2 304 B6R1.2 O=C1CCNC1 4H17-5-04 [1,0,0,0,1,0|1,0,0]=3 305 B6R1.2 O=C1CCOC1 2H17-1-Y1 [1,0,0,0,1,0|1,0,0]=3 306 B6R1.2 O=C1CCSC1 6H66-1-Y6 [1,0,0,0,1,0|1,0,0]=3 307 B6R1.2 O=C1NCCS1 8H70-1-8S [1,0,0,0,1,0|2,0,0]=4 308 B6R1.2 OC1CC=CC1 2402-1-00 [1,0,0,0,1,0|1,0,1]=4 309 B6R1.2 OC1CCNC1 4H01-5-23 [1,0,0,0,1,0|2,0,0]=4 310 B6R1.2 OC1CCNC1 4H56-1-831 [1,0,0,0,1,0|2,0,0]=4 311 B6R1.2 OC1CCOC1 2H10-1-87 [1,0,0,0,1,0|2,0,0]=4 312 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [1,0,0,0,1,0|2,0,0]=4 313 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [1,0,0,0,1,0|2,0,0]=4 314 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [1,0,0,0,1,0|2,0,0]=4 315 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [1,0,0,0,1,0|2,0,0]=4 316 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [1,0,0,0,1,0|2,0,0]=4 317 B6R1.2 O[C@H]1CCOC1 G311-A-08 [1,0,0,0,1,0|2,0,0]=4 318 B6R1.2 S=C1CCCN1 7H67-1-31 [1,0,0,0,1,0|1,1,0]=4