0 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.25 COC(=O)CCC1CCCC1 AB7510 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.25 COC(=O)CC[C@H]1CCNC1 37986 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.25 O=C(CCl)NCC1CCCC1 W16061 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 59428 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O A50289 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,0,1,0,0,0|3,0,0]=4 9 B9R0.2 O=C(O)CNCCCCO 72467 [0,0,1,0,0,0|3,0,0]=4 10 B9R0.43 CCC(CC)COC(=O)Cl S11052 [0,0,1,0,0,0|2,0,0]=3 11 B11R2.392 O=S1(=O)OC[C@@H]2CCCN21 83627 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.392 O=S1(=O)OC[C@@H]2CCCN21 83664 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.748 O=C1C[C@]2(CCNC2)CN1 39132 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.748 O=C1C[C@]2(CCNC2)CN1 F53789 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CN2 P19243 [0,0,0,1,0,0|2,0,0]=3 16 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 W14576 [0,0,0,1,0,0|2,0,0]=3 17 B11R2.845 O=C([O-])[C@H]1C[C@@H]2CC[C@H]1C2 12454 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.13 CC(=O)N[C@H]1CCNC1 50522 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,0,0,0,1,0|0,0,0]=1 20 B9R1.13 CC(=O)S[C@H]1CCOC1 W16075 [0,0,0,0,1,0|2,1,0]=4 21 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.13 NC(=O)NC1CCCC1 W17339 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.84 O=C(O)COC1CCC1 27934 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,0,0,0,1,0|2,0,1]=4 38 B9R1.84 O=C([O-])CCN1CCC1 F50895 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.91 CC(=O)NC[C@H]1CNCCO1 56346 [0,0,0,0,0,1|1,0,0]=2 40 B8R0.7 NCCCCCC(=O)O P19609 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.7 NCCCCCC(N)=O AC6029 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.7 O=C([O-])CCCCCO Y14708 [1,0,1,0,0,0|1,0,0]=3 43 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [1,0,1,0,0,0|1,0,0]=3 44 B8R1.8 C=CC[C@H]1CCCN1 N16954 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.8 CNC[C@H]1CCCN1 P18036 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.8 COC[C@H]1CCCN1 11152 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.8 COC[C@H]1CCCN1 11153 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.8 COC[C@H]1CCCN1 71289 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.8 COC[C@H]1CCNC1 72010 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.8 COC[C@H]1CCNC1 P10622 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.8 COC[C@H]1CCNC1 P12588 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.8 COC[C@H]1CCNC1 P15249 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.8 COC[C@H]1CCNC1 P15255 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.8 O=CCC1CCCC1 F11683 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.4 CC(=O)NCCCCCCN D93510 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.4 O=C(O)CCCCCCCO S10749 [0,1,1,0,0,0|2,0,0]=4 57 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,1,1,0,0,0|2,0,0]=4 58 B10R0.45 COC(=O)CCC(OC)OC W12514 [0,1,1,0,0,0|2,0,0]=4 59 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.64 CC(=O)O[C@H]1CCNC1=O W17926 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.281 O=S(=O)(Cl)C[C@H]1CCCO1 P20540 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.370 CC1(CC(=O)O)OCCO1 W17982 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.209 CS(=O)(=O)OCC1COC1 AB10203 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.51 CCOC(=O)CCC1CCCC1 AB7178 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67411 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,0,1,1,0,0|2,0,0]=4 74 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,0,1,1,0,0|2,0,0]=4 84 B10R2.32 O=C1CO[C@@H]2OCC[C@H]12 C91362 [1,0,0,1,0,0|2,0,0]=4 85 B10R2.99 O=CC1CC2CCC1C2 23269 [1,0,0,1,0,0|2,0,0]=4 86 B10R2.178 O=C1NCC2CCC1N2 P17879 [1,0,0,1,0,0|2,0,0]=4 87 B10R2.483 C1CN[C@@]2(C1)CCOC2 79607 [1,0,0,1,0,0|1,0,1]=4 88 B10R2.483 C1CO[C@@]2(C1)CCNC2 38566 [1,0,0,1,0,0|1,0,1]=4 89 B10R2.483 C1CO[C@@]2(C1)CCNC2 P15313 [1,0,0,1,0,0|1,0,1]=4 90 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,1,1,0|2,0,0]=4 91 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,1,1,0|2,0,0]=4 92 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,1,1,0|2,0,0]=4 93 B10R2.71 O=C1CC2C=CC(C1)O2 P12615 [0,0,0,1,1,0|0,0,2]=4 94 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,1,1,0|1,0,0]=3 95 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 P16198 [0,0,0,1,1,0|0,0,2]=4 96 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 P16217 [0,0,0,1,1,0|0,0,2]=4 97 B10R2.316 O=C1CC2(CCCC2)C1 P18360 [0,0,0,1,1,0|1,0,0]=3 98 B10R2.351 O=C(O)C1C2CCOC21 P17384 [0,0,0,1,1,0|1,0,0]=3 99 B10R2.332 O=C1CC2(CCC2)CN1 D73448 [0,0,0,1,1,0|1,0,0]=3 100 B10R2.332 O=C1CC2(CN1)COC2 84048 [0,0,0,1,1,0|2,0,0]=4 101 B10R2.332 O=C1CC2(CNC2)CN1 F16075 [0,0,0,1,1,0|2,0,0]=4 102 B10R2.332 O=C1CC2(CNC2)CN1 O10622 [0,0,0,1,1,0|2,0,0]=4 103 B10R2.332 O=C1COC2(CCC2)C1 D84838 [0,0,0,1,1,0|2,0,0]=4 104 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,0,0,1,1,0|1,0,0]=3 105 B10R2.332 O=C1NCC2(CCC2)O1 37823 [0,0,0,1,1,0|2,0,0]=4 106 B10R2.638 O=C(O)[C@H]1CC12CCC2 90961 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.250 O=C(O)C1CC12CCCOC2 D83347 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.2918 O=C1CC2(CCNCC2)CN1 26301 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.2918 O=C1CC2(CCNCC2)CN1 79608 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 P11463 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.2918 O=C1NC2(CCNCC2)CO1 27960 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.2918 O=C1NC2(CCNCC2)CO1 C90103 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.1175 O=C1CCC2(CCCO2)CC1 P10763 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.1596 COC(=O)C1CC2CC1CN2 D79700 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.1596 COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 D79376 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.253 CC(=O)C1CC2CCC(C2)C1 D79369 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.253 O=C(O)C1CC2CCC(C1)O2 39144 [0,1,0,1,0,0|2,0,0]=4 119 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,0,1,0,1,0|0,0,2]=4 120 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,0,1,0,1,0|1,0,0]=3 121 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,0,1,0,1,0|2,0,0]=4 122 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,0,1,0|1,0,1]=4 123 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,0,0,0,2,0|2,0,0]=4 124 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,0,0,0,2,0|1,1,0]=4 125 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,0,0,0,2,0|2,0,0]=4 126 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,0,0,2,0|1,0,0]=3 127 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,0,0,0,2,0|2,0,0]=4 128 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,0,0,2,0|0,0,0]=2 129 B8R1.34 CC(=O)CC1COC1 CS1731 [0,0,0,0,2,0|1,0,0]=3 130 B8R1.34 CC(=O)OC1CNC1 C72427 [0,0,0,0,2,0|1,0,0]=3 131 B8R1.34 CC(=O)OC1CNC1 C76369 [0,0,0,0,2,0|1,0,0]=3 132 B8R1.34 N=C(N)CC1CCC1 33747 [0,0,0,0,2,0|2,0,0]=4 133 B8R1.34 O=C(O)CC1CNC1 37024 [0,0,0,0,2,0|2,0,0]=4 134 B8R1.34 O=C(O)CC1COC1 66388 [0,0,0,0,2,0|2,0,0]=4 135 B8R1.34 O=C(O)CN1CCC1 55159 [0,0,0,0,2,0|2,0,0]=4 136 B8R1.34 O=C([O-])CC1COC1 P19943 [0,0,0,0,2,0|2,0,0]=4 137 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [1,0,0,0,0,1|1,0,1]=4 138 B12R1.252 O=C(O)CCO[C@@H]1CCCCO1 AC3248 [0,0,0,0,0,2|2,0,0]=4