0 B8R1.4 CC1CC(=O)CCO1 2H17-1-89 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.4 CC1CC(O)CCO1 2H10-1-83 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.4 CC1CCCC(C)N1 3H31-1-Q2 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.4 CC1CCOC(C)O1 2H10-1-1D [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 CN1CCCC(N)C1 3H32-5-Q9 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 CN1CCCC(O)C1 4H56-1-XP [0,0,0,0,0,0|1,0,2]=3 6 B8R1.4 CN1CCNC(=O)C1 4H48-1-YY [0,0,0,0,0,0|2,0,0]=2 7 B8R1.4 C[C@H]1CNC[C@@H](C)N1 3H31-1-P7 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.4 C[C@H]1CNC[C@@H](C)O1 4H31-1-X0 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.4 NC1=CC(=O)CCC1 4456-1-X0 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.4 NC1CCCC(O)C1 4256-1-02 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.4 O=C1CCCC(=O)C1 2218-1-X3 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.4 O=C1CCNC(=O)C1 4H48-1-67 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.4 O=C1CSCC(=O)O1 6H66-1-00 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 OC1CCCC(O)C1 2204-1-03 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.3 BrC1CCOCC1 2H10-9-19 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.3 CC1=CCC=CC1 1200-1-0A [1,0,0,0,0,0|0,0,3]=4 17 B7R1.3 CC1=CCCCC1 1400-1-04 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.3 CC1=CCCNC1 3H31-5-0N [1,0,0,0,0,0|1,0,2]=4 19 B7R1.3 CC1CCCCC1 1200-1-19 [1,0,0,0,0,0|0,0,1]=2 20 B7R1.3 CC1CCCCN1 3H31-1-00 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.3 CC1CCNCC1 3H31-1-Q3 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 CC1CNCCO1 4H56-1-9N [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 CC1COCCN1 4H56-1-98 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 CN1CCNCC1 3H32-1-L1 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.3 CN1CCOCC1 4H44-1-03 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 FC1CCCCC1 1200-3-02 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.3 FC1CCNCC1 3H31-7-X9 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 IC1CCOCC1 2H10-H-X0 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 NC1CCCNC1 3H30-5-61 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 NC1CCOCC1 G311-A-59 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 NC1CCOCC1 P911-A-50 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 NC1CCSCC1 7H66-1-Y1 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 NN1CCOCC1 4H56-1-VA [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 O=C1C=CCCC1 2417-1-X1 [1,0,0,0,0,0|0,0,2]=3 39 B7R1.3 O=C1C=CCCO1 2H25-1-78 [1,0,0,0,0,0|1,0,2]=4 40 B7R1.3 O=C1CCCCN1 4H48-1-1L [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 O=C1CCCCO1 2H25-1-X4 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 O=C1CCCNC1 4H56-5-M8 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 O=C1CCCOC1 2H17-1-09 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 O=C1CCCSC1 6H66-1-40 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.3 O=C1CCNCC1 4H17-1-3B [1,0,0,0,0,0|1,0,0]=2 46 B7R1.3 O=C1CCNCC1 4H56-5-3R [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 O=C1CCOCC1 P911-A-16 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 O=C1CNCCN1 4H48-1-W4 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 O=C1COCCN1 4H58-1-05 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 O=C1OCCCO1 2H28-1-13 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 OC1CCCNC1 4H56-5-90 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 OC1CCCOC1 2H10-1-41 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 OC1CCNCC1 4H56-1-UJ [1,0,0,0,0,0|1,0,2]=4 55 B7R1.3 OC1CCOCC1 2H10-1-Y4 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 SC1CCCCC1 5261-1-04 [1,0,0,0,0,0|0,1,1]=3 59 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 [C@@H]1(N)CCCNC1 3H30-5-R1 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 [C@H]1(N)CCCNC1 3H30-5-V8 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.3 [NH3+]C1CCOCC1 4H30-1-Y9 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.2 CCN1CCCC(=O)C1 4H56-5-N3 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.2 CN1CCCC(CBr)C1 3H32-9-BB [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 CN1CCCC(CN)C1 3H32-1-M3 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CN1CCCC(CO)C1 4H56-1-XN [0,1,0,0,0,0|2,0,0]=3 68 B9R1.3 O=C1CCCC(=O)C1Br 2218-9-01 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.34 CC1CC(=O)CC(=O)C1 P612-A-64 [0,1,0,0,0,0|0,0,1]=2 70 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,1,0,0,0,0|2,0,1]=4 71 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,0,1,0,0,0|1,0,1]=3 72 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,0,1,0,0,0|2,0,1]=4 73 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,0,1,0,0,0|2,0,1]=4 74 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,0,1,0,0,0|2,0,0]=3 75 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,0,1,0,0,0|1,0,2]=4 76 B7R0.4 CC(C)CCN=C=S 7168-1-13 [0,0,1,0,0,0|1,1,1]=4 77 B7R0.4 CCCCCB(O)O 6160-1-07 [0,0,1,0,0,0|2,0,1]=4 78 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.4 CCCCNC(N)=S 7167-1-03 [0,0,1,0,0,0|2,1,0]=4 80 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,0,1,0,0,0|1,0,2]=4 81 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,0,1,0,0,0|2,0,0]=3 82 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,0,1,0,0,0|3,0,0]=4 83 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,0,1,0,0,0|2,0,0]=3 85 B7R0.7 C=COC(=O)CCC 2324-1-10 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.7 CC#CC(=O)OCC 2524-1-01 [0,0,1,0,0,0|1,0,2]=4 87 B7R0.7 CCCC(=O)CCC 2117-1-15 [0,0,1,0,0,0|0,0,0]=1 88 B7R0.7 CCCC(Br)CCC 1100-9-23 [0,0,1,0,0,0|1,0,1]=3 89 B7R0.7 CCCC(Br)CCC 1100-9-23T [0,0,1,0,0,0|1,0,1]=3 90 B7R0.7 CCCC(C)N=C=S 7168-1-23 [0,0,1,0,0,0|1,1,1]=4 91 B7R0.7 CCNC(=O)CC#N 4148-1-X5 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.7 CCOC(=O)CC#N 4137-1-01 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.7 CCOC(=O)CCN 4158-5-01 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.7 CCOC(=O)OCC 2123-1-11 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.7 CCOS(=O)OCC 6164-1-12 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.7 CCO[PH](=O)OCC 6177-1-42 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.7 O=C(CCCl)CCCl 2117-5-07 [0,0,1,0,0,0|2,0,0]=3 98 B9R2.25 O=C1OC(=O)C2CC12 2H26-1-X0 [0,0,0,1,0,0|2,0,1]=4 99 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 3H32-9-S1 [0,0,0,1,0,0|3,0,0]=4 100 B9R2.39 O=C1NC2C=CC1C2 4H48-1-62 [0,0,0,1,0,0|1,0,2]=4 101 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 4H48-1-S8 [0,0,0,1,0,0|1,0,2]=4 102 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 4H48-1-R8 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,0,0,0,1,0|0,0,2]=3 104 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,0,0,0,1,0|2,0,1]=4 105 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,0,0,0,1,0|1,0,2]=4 106 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,0,0,0,1,0|1,0,2]=4 107 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,0,0,0,1,0|1,0,2]=4 108 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,0,0,0,1,0|1,0,1]=3 109 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,0,0,0,1,0|2,0,1]=4 110 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,0,0,0,1,0|2,0,1]=4 111 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,0,0,0,1,0|2,0,1]=4 112 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,0,0,0,1,0|2,0,0]=3 113 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,0,0,0,1,0|3,0,0]=4 114 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,0,0,0,1,0|3,0,0]=4 115 B7R1.4 BrC1=C(Br)CCC1 1400-9-X1T [0,0,0,0,1,0|2,0,1]=4 116 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [0,0,0,0,1,0|2,0,0]=3 117 B7R1.4 NN1CCCC1=O 4H48-5-BN [0,0,0,0,1,0|2,0,0]=3 118 B7R1.4 O=C1CCCC1Cl 2217-5-04 [0,0,0,0,1,0|1,0,0]=2 119 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,0,0,0,1,0|2,0,0]=3 120 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,0,0,0,1,0|2,0,0]=3 121 B6R0.1 CCCC(=O)NN 4156-1-15 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.1 CCCC(C)CCl 1100-5-0A [1,0,1,0,0,0|1,0,0]=3 123 B6R0.1 CCCC(O)CO 2104-1-0A [1,0,1,0,0,0|1,0,1]=4 124 B6R0.1 CCOC(=O)CCl 2123-5-01 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.1 CCOC(=O)CN 4158-5-25 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.1 CCOC(=O)CS 6161-1-03 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CNC(=O)CCN 4148-1-13 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.1 CNCC(=O)OC 4158-5-X0 [1,0,1,0,0,0|2,0,0]=4 129 B6R0.1 COC(=O)CCN 4158-1-02 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.1 COC(=O)CSC 6166-1-06 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,0,1,0,0,0|1,0,1]=4 132 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,1,0,0,0|0,0,0]=2 133 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,1,0,0,0|1,0,0]=3 134 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.4 CC(C)OCCO 2107-1-0H [1,0,1,0,0,0|1,0,1]=4 140 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,1,0,0,0|1,0,0]=3 141 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,1,0,0,0|2,0,0]=4 143 B6R0.4 CN(C)CCCBr 3132-9-03 [1,0,1,0,0,0|2,0,0]=4 144 B6R0.4 CN(C)CCCCl 3132-5-X0 [1,0,1,0,0,0|2,0,0]=4 145 B6R0.4 CN(C)CCCO 4156-1-40 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.6 C=CCCCCBr 1300-9-X5 [1,0,1,0,0,0|1,0,1]=4 150 B6R0.6 C=CCCCCO 2301-1-06 [1,0,1,0,0,0|1,0,1]=4 151 B6R0.6 CCCCCC=O 2115-1-X2 [1,0,1,0,0,0|0,0,0]=2 152 B6R0.6 CCCCCCCl 1100-5-29 [1,0,1,0,0,0|1,0,1]=4 153 B6R0.6 CCCCCCF 1100-3-61 [1,0,1,0,0,0|1,0,1]=4 154 B6R1.1 C1=CCOCC1 2H10-1-53 [2,0,0,0,0,0|1,0,1]=4 155 B6R1.1 C1=COCCC1 2H02-1-12 [2,0,0,0,0,0|1,0,1]=4 156 B6R1.1 C1CCCCC1 1200-1-06 [2,0,0,0,0,0|0,0,1]=3 157 B6R1.1 C1CNCCN1 3H31-1-03 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.1 C1COCCN1 4H31-1-01 [2,0,0,0,0,0|2,0,0]=4 159 B6R1.1 C1COCCO1 2H08-1-14 [2,0,0,0,0,0|2,0,0]=4 160 B6R1.1 C1CSCCN1 7H70-1-Z9 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.1 C1CSCSC1 5H66-1-31 [2,0,0,0,0,0|2,0,0]=4 162 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 4157-1-0X [0,1,1,0,0,0|1,0,0]=3 163 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 4157-1-19 [0,1,1,0,0,0|1,0,0]=3 164 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 4158-1-X5 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.5 CCOC(=O)C=C(C)C 2324-1-49 [0,1,1,0,0,0|0,0,2]=4 166 B8R0.5 CCOC(=O)C[C@H](C)O 2129-1-S9 [0,1,1,0,0,0|1,0,0]=3 167 B8R0.5 CCOC(=O)C[S+](C)C 6166-9-X3 [0,1,1,0,0,0|1,0,0]=3 168 B8R0.16 COC(CC(C)=O)OC 2117-1-X6 [0,1,1,0,0,0|1,0,0]=3 169 B8R0.19 CCC(=O)CC(=O)OC 2129-1-X6 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.23 CC(C)OC(=O)[C@@H](C)N 4158-5-RB [0,1,1,0,0,0|1,0,0]=3 171 B8R0.23 CC(C)OC(=O)[C@H](C)N 4158-5-06 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.24 CC(C)(C)NC(=O)CCl 4148-5-11 [0,1,1,0,0,0|2,0,0]=4 173 B8R0.24 CC(C)(C)OC(=O)CBr 2123-9-07 [0,1,1,0,0,0|2,0,0]=4 174 B8R0.24 CC(C)(C)OC(=O)CN 4158-1-32 [0,1,1,0,0,0|2,0,0]=4 175 B8R0.24 CC(C)(C)OC(=O)CN 4158-5-46 [0,1,1,0,0,0|2,0,0]=4 176 B8R0.24 CNC(=O)OC(C)(C)C 4156-1-36 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.6 C=CC(=O)OCCCC 2324-1-09 [0,1,1,0,0,0|1,0,1]=4 178 B8R0.6 CCCCCC(=O)CC 2117-1-X4 [0,1,1,0,0,0|0,0,0]=2 179 B8R0.6 CCCCCC(O)CC 2102-1-11 [0,1,1,0,0,0|0,0,2]=4 180 B8R0.6 CCCCOC(=O)CCl 2123-5-X2 [0,1,1,0,0,0|1,0,0]=3 181 B8R0.7 CCCCCCC(=O)O 2121-1-14 [0,1,1,0,0,0|1,0,0]=3 182 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [0,1,1,0,0,0|0,0,2]=4 183 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [0,1,1,0,0,0|1,0,0]=3 185 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,1,1,0,0,0|2,0,0]=4 186 B8R0.1 CCOC(=O)CCCBr 2123-9-X0 [0,1,1,0,0,0|1,0,0]=3 187 B8R0.3 CCOC(=O)C(N)CO 4158-5-X3 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.3 CCOC(=O)C(O)CC 2129-1-0E [0,1,1,0,0,0|1,0,0]=3 189 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 2115-1-X0 [0,1,1,0,0,0|2,0,0]=4 190 B8R0.30 CCCC(C)(S)CCO 6161-1-08 [0,1,1,0,0,0|0,0,2]=4 191 B8R1.2 BrCC1CCOCC1 P311-A-04 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.2 C#CC1=CCCCC1 1500-1-15 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.2 CCC1CCNCC1 3H31-5-14 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.2 CNC1CCCCC1 3231-1-04 [1,1,0,0,0,0|0,0,1]=3 195 B8R1.2 CNC1CCOCC1 P612-A-50 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.2 COC1CCCNC1 4H07-1-80 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.2 COC1CCNCC1 4H56-1-YG [1,1,0,0,0,0|1,0,1]=4 198 B8R1.2 CO[C@H]1CCCNC1 4H01-5-S1 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.2 CSC1CCNCC1 7H66-5-03 [1,1,0,0,0,0|1,0,1]=4 200 B8R1.2 ClCC1CCCCO1 2H10-5-00 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.2 FCC1CCCNC1 3H31-7-1L [1,1,0,0,0,0|1,0,0]=3 202 B8R1.2 ICC1CCOCC1 2H10-H-03 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.2 N#CC1CCCCC1 3237-1-Y9 [1,1,0,0,0,0|0,0,2]=4 204 B8R1.2 N#CC1CCCNC1 3H37-1-24 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.2 NCC1CCCCN1 3H30-1-5K [1,1,0,0,0,0|1,0,1]=4 206 B8R1.2 NCC1CCCCO1 4H56-1-5C [1,1,0,0,0,0|1,0,1]=4 207 B8R1.2 NCC1CCCCO1 4H56-5-G2 [1,1,0,0,0,0|1,0,1]=4 208 B8R1.2 NCC1CCCNC1 3H30-1-LF [1,1,0,0,0,0|1,0,0]=3 209 B8R1.2 NCC1CCOCC1 4H30-5-19 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.2 NCC1CCOCC1 P612-A-48 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.2 NCC1CNCCO1 4H30-1-Y1 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.2 NNC1CCCCC1 3239-5-X0 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.2 O=CC1=COCCC1 2H15-1-X8 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.2 O=CC1CCCOC1 2H15-1-21 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.2 O=CC1CCOCC1 P311-A-93 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.2 O=CN1CCCCC1 4H15-1-W5 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.2 OCC1CCCCO1 2H01-1-07 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.2 OCC1CCNCC1 4H56-1-04 [1,1,0,0,0,0|1,0,1]=4 219 B8R1.2 OCC1CCOCC1 2H01-1-X5 [1,1,0,0,0,0|1,0,1]=4 220 B8R1.2 OC[C@H]1CNCCN1 4H33-5-R0 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.2 OC[C@H]1COCCN1 4H56-5-SE [1,1,0,0,0,0|2,0,0]=4 222 B8R1.2 [C-]#[N+]C1CCCCC1 3237-1-00 [1,1,0,0,0,0|0,0,2]=4 223 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [1,1,0,0,0,0|1,0,0]=3 224 B8R1.3 CN1CCC(Cl)CC1 3H32-5-U2 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.3 CN1CCC(N)CC1 3H32-1-M2 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.3 CN1CCC(O)CC1 4H56-1-XM [1,1,0,0,0,0|1,0,1]=4 227 B8R1.3 C[C@H]1CC[C@H](N)CC1 3230-1-X3 [1,1,0,0,0,0|0,0,1]=3 228 B8R1.3 C[C@H]1CN[C@H](C)CN1 3H31-1-5U [1,1,0,0,0,0|2,0,0]=4 229 B8R1.3 N[C@H]1CC[C@@H](O)CC1 4256-5-15 [1,1,0,0,0,0|0,0,2]=4 230 B8R1.3 N[C@H]1CC[C@H](O)CC1 4256-1-X6 [1,1,0,0,0,0|0,0,2]=4 231 B8R1.3 N[C@H]1CC[C@H](O)CC1 4H56-5-L1 [1,1,0,0,0,0|0,0,2]=4 232 B8R1.3 OC1CCC(O)CC1 2204-1-X0 [1,1,0,0,0,0|0,0,2]=4 233 B8R1.5 CC1=CCCCC1=O 2417-1-01 [1,1,0,0,0,0|0,0,2]=4 234 B8R1.5 CC1CCCCC1=O 2217-1-1E [1,1,0,0,0,0|0,0,0]=2 235 B8R1.5 CC1CCCCC1O 2102-1-X1 [1,1,0,0,0,0|0,0,1]=3 236 B8R1.5 CC1CNCCC1O 4H56-5-B5 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.5 CC1CNCCN1C 3H32-1-82 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 CN1CCNCC1=O 4H17-1-16 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 CN1CCNCC1=O 4H48-5-BC [1,1,0,0,0,0|2,0,0]=4 240 B8R1.5 CN1CCOCC1=O 4H48-1-4C [1,1,0,0,0,0|2,0,0]=4 241 B8R1.5 FC1CCCCC1Br 1200-B-12 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.5 NC1CCCCC1O 4256-1-X3 [1,1,0,0,0,0|0,0,2]=4 243 B8R1.5 NC1CCCNC1=O 4H48-1-3C [1,1,0,0,0,0|1,0,0]=3 244 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-03 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.5 N[C@@H]1CCCC[C@H]1N 3230-1-16 [1,1,0,0,0,0|1,0,1]=4 246 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-1-48 [1,1,0,0,0,0|0,0,2]=4 247 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-36 [1,1,0,0,0,0|0,0,2]=4 248 B8R1.5 N[C@H]1CCCC[C@@H]1N 3230-1-17 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.5 N[C@H]1CCCC[C@H]1O 4256-5-49 [1,1,0,0,0,0|0,0,2]=4 250 B8R1.5 O=C1CCCCC1=O 2218-1-X7 [1,1,0,0,0,0|0,0,1]=3 251 B8R1.5 O=C1CCNCC1F 4H56-7-14 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.72 CC1(C)CCNCC1 3H31-1-26 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.72 CC1(C)COCCN1 4H56-1-DY [1,1,0,0,0,0|2,0,0]=4 254 B8R1.72 CC1(O)CCNCC1 4H56-5-0B [1,1,0,0,0,0|1,0,1]=4 255 B8R1.72 O=S1(=O)CCCCN1 8H69-1-W9 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.72 O=S1(=O)CCNCC1 8H63-5-X5 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.72 O=S1(=O)CCNCC1 P911-A-87 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [0,1,0,0,1,0|1,0,1]=4 259 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [0,1,0,0,1,0|1,0,1]=4 260 B8R1.1 CN1CCC(CN)C1 3H32-1-C0 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [0,1,0,0,1,0|1,0,0]=3 262 B8R1.1 O=C1NCC(CCl)O1 4H56-5-PH [0,1,0,0,1,0|2,0,0]=4 263 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.18 CC1OC(=O)OC1C 2H28-1-17 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.18 C[C@@H]1OC(=O)O[C@H]1C 2H28-1-E0 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.50 CC1C(=O)CCC1=O 2218-1-X5 [0,1,0,0,1,0|1,0,1]=4 267 B8R1.51 NC1CCS(=O)(=O)C1 8H70-5-X9 [0,1,0,0,1,0|2,0,0]=4 268 B8R1.11 CN1CCC[C@@H]1CO 4H56-1-RG [0,1,0,0,1,0|2,0,0]=4 269 B8R1.11 CN1CCC[C@H]1CN 3H32-1-S0 [0,1,0,0,1,0|2,0,0]=4 270 B8R1.11 N#CC1CCCC1=O 4237-1-X2 [0,1,0,0,1,0|0,0,1]=3 271 B8R1.19 CC1(C)CONC1=O 4H56-1-417 [0,1,0,0,1,0|2,0,0]=4 272 B10R1.10 CNCC1CCCN(C)C1 3H31-5-20 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.113 CC(=O)N1CCCC(O)C1 4H20-1-06 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,2,0,0,0,0|1,0,1]=4 275 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,2,0,0,0,0|1,0,1]=4 276 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,2,0,0,0,0|1,0,1]=4 277 B10R1.329 CC1(C)CC(=O)CC(=O)C1 2218-1-X1 [0,2,0,0,0,0|0,0,1]=3 278 B10R1.329 CC1(C)CC(=O)NC(=O)C1 4H48-1-W2 [0,2,0,0,0,0|1,0,1]=4 279 B10R1.63 CC1(C)CCC(=O)CC1=O 2218-1-13 [0,2,0,0,0,0|1,0,1]=4 280 B8R1.34 CC(=O)NC1CNC1 4H48-5-5Z [0,0,1,1,0,0|2,0,0]=4 281 B8R1.34 O=C(O)CC1CNC1 4H22-3-07 [0,0,1,1,0,0|2,0,0]=4 282 B8R1.40 O=C(CCl)NC1CC1 4248-5-01 [0,0,1,1,0,0|2,0,0]=4 283 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [0,0,1,1,0,0|1,0,0]=3 284 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [0,0,1,1,0,0|2,0,0]=4 285 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [0,0,1,1,0,0|2,0,0]=4 286 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [0,0,1,1,0,0|1,0,0]=3 287 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [0,0,1,1,0,0|2,0,0]=4 289 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.22 O=C1CCCCCC1 2217-1-X7 [0,0,1,1,0,0|0,0,0]=2 297 B8R1.22 O=C1CCCCCN1 4H17-1-3G [0,0,1,1,0,0|1,0,0]=3 298 B8R1.22 O=C1CCCCCO1 2225-1-01 [0,0,1,1,0,0|1,0,0]=3 299 B8R1.22 O=C1CCCNCC1 P612-A-68 [0,0,1,1,0,0|1,0,0]=3 300 B8R1.22 O=C1CCNCCN1 4H17-1-01 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.22 O=C1CCNCCN1 4H48-5-Z9 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.22 O=C1CCOCCN1 4H48-1-0A5 [0,0,1,1,0,0|2,0,0]=4 303 B8R1.22 OC1CCCCCC1 2202-1-X0 [0,0,1,1,0,0|0,0,2]=4 304 B8R1.37 CCOC(=O)C1CC1 2223-1-X1 [0,0,1,1,0,0|1,0,0]=3 305 B8R1.37 N#CCC(=O)C1CC1 4237-1-0H [0,0,1,1,0,0|1,0,1]=4 306 B8R2.34 C1OC2CNC1C2 4H56-5-2E [1,0,0,1,0,0|2,0,0]=4 307 B8R2.38 O=C1CCC2CC12 2217-1-33 [1,0,0,1,0,0|0,0,0]=2 308 B10R2.71 O=C1CC2CCC(C1)N2 4H56-5-M6 [0,0,0,1,0,1|1,0,0]=3 309 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 2H12-1-02 [0,0,0,1,0,1|2,0,0]=4 310 B6R0.3 CCC(=O)C(C)C 2117-1-18 [0,0,1,0,1,0|0,0,0]=2 311 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,0,1,0,1,0|2,0,0]=4 312 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,0,1,0,1,0|2,0,0]=4 313 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,0,1,0,1,0|2,0,0]=4 314 B6R0.3 CN(C)C(=O)CBr 4148-9-08 [0,0,1,0,1,0|2,0,0]=4 315 B6R0.3 CNC(=O)C(C)N 4148-1-1M [0,0,1,0,1,0|2,0,0]=4 316 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,0,1,0,1,0|2,0,0]=4 317 B6R0.3 COC(=O)C(C)Cl 2123-5-05 [0,0,1,0,1,0|2,0,0]=4 318 B6R0.3 COC(=O)C(C)F 2123-3-1X [0,0,1,0,1,0|2,0,0]=4 319 B6R0.3 COC(=O)C(C)O 2129-1-70 [0,0,1,0,1,0|2,0,0]=4 320 B6R0.3 COC(=O)[C@H](C)N 4158-5-45 [0,0,1,0,1,0|2,0,0]=4 321 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,0,1,0,1,0|2,0,0]=4 322 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,0,1,0,1,0|0,0,2]=4 323 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,0,1,0,1,0|2,0,0]=4 324 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,0,1,0,1,0|2,0,0]=4 325 B6R1.2 BrC1CCCC1 1200-9-01 [1,0,0,0,1,0|1,0,0]=3 326 B6R1.2 CC1CCCC1 1200-1-07 [1,0,0,0,1,0|0,0,0]=2 327 B6R1.2 CC1CCCO1 2H10-1-01 [1,0,0,0,1,0|1,0,0]=3 328 B6R1.2 CC1CCNC1 3H31-5-95 [1,0,0,0,1,0|1,0,0]=3 329 B6R1.2 CC1OCCO1 2H08-1-01 [1,0,0,0,1,0|2,0,0]=4 330 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [1,0,0,0,1,0|1,0,0]=3 331 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [1,0,0,0,1,0|1,0,0]=3 332 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [1,0,0,0,1,0|1,0,0]=3 333 B6R1.2 ClC1CCCC1 1200-5-02 [1,0,0,0,1,0|1,0,0]=3 334 B6R1.2 FC1CCNC1 3H31-3-64 [1,0,0,0,1,0|2,0,0]=4 335 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [1,0,0,0,1,0|2,0,0]=4 336 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [1,0,0,0,1,0|2,0,0]=4 337 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [1,0,0,0,1,0|2,0,0]=4 338 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [1,0,0,0,1,0|2,0,0]=4 339 B6R1.2 NC1CCOC1 4H30-1-07 [1,0,0,0,1,0|2,0,0]=4 340 B6R1.2 NC1CCOC1 4H56-5-2A [1,0,0,0,1,0|2,0,0]=4 341 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [1,0,0,0,1,0|2,0,0]=4 342 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [1,0,0,0,1,0|2,0,0]=4 343 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [1,0,0,0,1,0|2,0,0]=4 344 B6R1.2 O=C1C=CCC1 2417-1-X0 [1,0,0,0,1,0|0,0,2]=4 345 B6R1.2 O=C1CCCC1 2217-1-01 [1,0,0,0,1,0|0,0,0]=2 346 B6R1.2 O=C1CCNC1 4H17-5-04 [1,0,0,0,1,0|1,0,0]=3 347 B6R1.2 O=C1CCOC1 2H17-1-Y1 [1,0,0,0,1,0|1,0,0]=3 348 B6R1.2 O=C1CCSC1 6H66-1-Y6 [1,0,0,0,1,0|1,0,0]=3 349 B6R1.2 O=C1NCCS1 8H70-1-8S [1,0,0,0,1,0|2,0,0]=4 350 B6R1.2 OC1CC=CC1 2402-1-00 [1,0,0,0,1,0|1,0,1]=4 351 B6R1.2 OC1CCNC1 4H01-5-23 [1,0,0,0,1,0|2,0,0]=4 352 B6R1.2 OC1CCNC1 4H56-1-831 [1,0,0,0,1,0|2,0,0]=4 353 B6R1.2 OC1CCOC1 2H10-1-87 [1,0,0,0,1,0|2,0,0]=4 354 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [1,0,0,0,1,0|2,0,0]=4 355 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [1,0,0,0,1,0|2,0,0]=4 356 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [1,0,0,0,1,0|2,0,0]=4 357 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [1,0,0,0,1,0|2,0,0]=4 358 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [1,0,0,0,1,0|2,0,0]=4 359 B6R1.2 O[C@H]1CCOC1 G311-A-08 [1,0,0,0,1,0|2,0,0]=4 360 B6R1.2 S=C1CCCN1 7H67-1-31 [1,0,0,0,1,0|1,1,0]=4