0 B9R0.45 C=CCCCCCCCC T73018 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CC#CCCCCCCC H11435 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.45 C\C=C/CCCCCCC T70533 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 NCCCCNCCCN T72522 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.45 NCCOCCOCCO D84703 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.45 NCCSCCSCCN AT25576 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 OCCOCCOCCF A10821 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 OCCOCCOCCS C70223 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.4 CCC#CCCCCC T72039 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.4 CNCCCCCCO AT11159 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 COCCNCCCO FD7300 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.4 ClCCCCCCCCl T71360 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.4 NCCCCCCCO AT22494 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.4 OCCCOCCCCl D84666 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.1 CCOC(=O)CCCCCN 77390 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.1 CCOC(=O)COCCCO S11911 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.4 CC(C)CCCCCCC=O D86949 [0,1,0,0,0,0|0,0,2]=3 17 B10R0.4 CC(C)CCCCCCCO D98228 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,0,0,0,0|0,0,3]=4 19 B10R0.71 CCOCCNCCOCC D88790 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.71 NCCCNCCNCCN C11288 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.71 OCCOCCCCCCCl D71999 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.71 OCCSCCCSCCO T70373 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.71 SCCSCCCSCCS T70668 [0,1,0,0,0,0|2,1,0]=4 24 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,0,0,0,0|0,0,0]=1 25 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.4 CCO[C@H]1COCC[C@H]1N D79025 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.4 O=C1CCCCN1CCO D96983 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.5 CCN1CCC[C@@H]1CCN F50256 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.5 CCN1CCC[C@@H]1CCN F50332 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.17 BrCCCN1CCOCC1 N11755 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.17 BrCCOC1CCOCC1 AT13103 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 CCCCC1CCNCC1 30336 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.17 CNCCC1CCCCC1 P10203 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.17 CNCCN1CCCCC1 S11703 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.17 COCC[C@H]1CCCCN1 32735 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.17 NCCCN1CCNCC1 C78275 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.17 NCCOC1CCOCC1 AT13101 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.17 O=CCO[C@@H]1CCCCO1 C16249 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.17 OCCCC1CCNCC1 I11792 [0,0,0,1,0,0|1,0,0]=2 42 B10R1.17 OCCC[C@H]1COCCN1 F13510 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.20 OCC1=C(CO)CCCC1 C92110 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.20 OC[C@H]1CC=CC[C@@H]1CO C13564 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,0,0,1,0,0|0,0,2]=3 46 B10R1.85 CCCC1OCC=CCO1 44476 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.85 NCCN1CCCCCC1 C11320 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.85 OCCC1CCCCCC1 E10088 [0,0,0,1,0,0|0,0,0]=1 49 B10R1.161 CNC1CCCCCCC1 L10188 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.161 O=NN1CCCCCCC1 T72064 [0,0,0,1,0,0|2,0,1]=4 51 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.1 COCCNCCO AT12488 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,2]=4 56 B7R0.1 NCCSCCCO AT25557 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.1 OCCCNCCO FD7298 [2,0,0,0,0,0|2,0,0]=4 59 B9R0.2 CC(C)CCCCCCO D98911 [1,1,0,0,0,0|0,0,0]=2 60 B9R0.2 CNCCCCCC(=O)O AT21580 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.18 CCCCC(C)CCCC T71863 [1,1,0,0,0,0|0,0,0]=2 62 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|0,0,0]=2 65 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,1,0,0,0,0|1,0,0]=3 66 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,2,0,0,0,0|1,0,1]=4 67 B11R0.148 CN(C)CCOCCOCCO D84688 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.3 CCCCC#CCCCCCC T70514 [0,2,0,0,0,0|1,0,0]=3 69 B11R0.3 CNCCOCCOCCOC AT17495 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.3 COCCNCCOCCOC AT13066 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.3 ClCCCOCCOCCCCl AT11146 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.3 OCCCOCCOCCCO AT11128 [0,2,0,0,0,0|1,0,0]=3 73 B11R0.152 CCCCN(CCCCO)N=O 28029 [0,2,0,0,0,0|1,0,0]=3 74 B11R0.152 NCCCC[C@H](CN)CCCN 11012 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.5 C[C@H]1CCNCCN1C AC6586 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.8 CCCC1CCNCC1 C75224 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.8 CCNC1CCNCC1 AC8313 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 CNCC1CCCCC1 P19116 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.8 CNCC1CCOCC1 71672 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 CNC[C@H]1CCCCO1 F16332 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 COC[C@H]1CCCCN1 31181 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 COC[C@H]1CCCCN1 Y11003 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 COC[C@H]1CCCNC1 C78400 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 NCCC1CCNCC1 65278 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 NCC[C@H]1CCCCN1 D76613 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.8 NCC[C@H]1CCCNC1 D76642 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 NNCC1CCCCC1 P11239 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 OCCN1CCCCO1 72896 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.8 OCC[C@H]1CNCCN1 27756 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 OCC[C@H]1CNCCO1 A50782 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.8 OCC[C@H]1COCCN1 A50775 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 OCC[C@H]1COCCN1 C78196 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.12 BrCCCN1CCCC1 D88134 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.12 NCCOC1CCCC1 AC3097 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.14 OC[C@@H]1CNC[C@@H]1CO AT10998 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.14 OC[C@H]1CNC[C@@H]1CO AT10997 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|0,0,0]=2 109 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,0]=2 110 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.15 COC1CCCCC1N C77572 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.15 COC1CNCCC1C 33459 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.15 OCC1CCNCC1O 33470 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.15 OCC1CNCCC1O 33707 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.33 CN1CCC[C@@H]1CCN P11249 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.33 CN1CCC[C@@H]1CCN P15959 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.33 CN1CCC[C@@H]1CCN P17927 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.83 OCCCOC[C@H]1CO1 AT11748 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.89 CN[C@H]1CCCCNC1 97599 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.89 CN[C@H]1CCCCNC1 97600 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,2]=4 132 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|1,0,0]=3 133 B11R1.4 BrCCCCCN1CCCC1 AC5193 [0,1,0,1,0,0|1,0,0]=3 134 B11R1.4 NCCCCCN1CCCC1 P10096 [0,1,0,1,0,0|1,0,0]=3 135 B11R1.16 CN(CCN)C1CCCCC1 73370 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.91 CC(C)CNC1CCCCC1 93651 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,1,0,1,0,0|1,0,1]=4 139 B11R1.91 O=C(O)CNC1CCCCC1 W15240 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.233 C=CCC[C@H]1CCC[C@]1(C)O F50028 [0,1,0,1,0,0|0,0,2]=4 141 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1CO P17684 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,1,0,1,0,0|1,0,1]=4 143 B11R1.28 CCCCCN1CCNCC1 A10429 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.203 NCCCN1CCCCCC1 53831 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.203 NCCCN1CCCCCC1 F13153 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,1,0,1,0,0|0,0,0]=2 147 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,1,0,1,0,0|0,0,0]=2 148 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,1,0,1,0,0|0,0,0]=2 149 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,1,0,1,0,0|1,0,1]=4 150 B11R2.10 NC1CC2CCCCN2C1 F53433 [0,0,0,2,0,0|2,0,0]=4 151 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P16463 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 P17732 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.10 O[C@H]1CC2CNCCN2C1 D97009 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.10 O[C@H]1C[C@H]2CNCCN2C1 D96763 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.20 C1CCC2NCCNC2C1 F14030 [0,0,0,2,0,0|2,0,0]=4 156 B11R2.20 C1CCN2CCNC[C@@H]2C1 E72310 [0,0,0,2,0,0|2,0,0]=4 157 B11R2.20 C1CCN2CCNC[C@@H]2C1 W12468 [0,0,0,2,0,0|2,0,0]=4 158 B11R2.20 C1CC[C@H]2CNCC[C@H]2C1 CS1860 [0,0,0,2,0,0|1,0,0]=3 159 B11R2.20 C1CN2CCOC[C@@H]2CN1 27873 [0,0,0,2,0,0|2,0,0]=4 160 B11R2.20 C1CN2CCOC[C@@H]2CN1 89518 [0,0,0,2,0,0|2,0,0]=4 161 B11R2.20 C1CN2CCOC[C@@H]2CN1 W19631 [0,0,0,2,0,0|2,0,0]=4 162 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W13307 [0,0,0,2,0,0|1,0,0]=3 163 B11R2.20 C1CO[C@H]2COCC[C@@H]2N1 AT20177 [0,0,0,2,0,0|2,0,0]=4 164 B11R2.55 O=C1CCCC[C@H]1C2CC2 33404 [0,0,0,2,0,0|0,0,2]=4 165 B11R2.106 N[C@H]1CCCN2CCC[C@@H]12 AT17568 [0,0,0,2,0,0|2,0,0]=4 166 B11R2.120 CN1[C@H]2CCC[C@@H]1C[C@H]2O P10665 [0,0,0,2,0,0|1,0,0]=3 167 B11R2.565 CN1C2CCCC1CCC2 F13972 [0,0,0,2,0,0|2,0,0]=4 168 B11R2.565 O[C@@H]1[C@H]2CNC[C@@H]1COC2 F50041 [0,0,0,2,0,0|2,0,0]=4 169 B11R2.565 O[C@H]1[C@H]2CNC[C@@H]1COC2 F50043 [0,0,0,2,0,0|2,0,0]=4 170 B11R2.18 C1CNC[C@@H]2CCCN2C1 AT11340 [0,0,0,2,0,0|2,0,0]=4 171 B11R2.36 CC1CN2CCCC2CN1 D72843 [0,0,0,2,0,0|2,0,0]=4 172 B11R2.36 C[C@H]1CN2CCC[C@@H]2CN1 AT17565 [0,0,0,2,0,0|2,0,0]=4 173 B11R2.36 C[C@H]1CN2CCC[C@H]2CN1 AT17567 [0,0,0,2,0,0|2,0,0]=4 174 B11R2.36 NC1CCN2CCCC2C1 C13584 [0,0,0,2,0,0|2,0,0]=4 175 B11R2.36 OC1CCC2CNCC2C1 37695 [0,0,0,2,0,0|1,0,0]=3 176 B11R2.36 OC1CCC2CNCC2C1 D72857 [0,0,0,2,0,0|1,0,0]=3 177 B11R2.36 O[C@H]1CC[C@H]2CNC[C@H]2C1 AT24241 [0,0,0,2,0,0|1,0,0]=3 178 B11R2.36 O[C@H]1CC[C@H]2CNC[C@H]2C1 F12996 [0,0,0,2,0,0|1,0,0]=3 179 B11R2.191 CNC1COC2OCCC12 91363 [0,0,0,2,0,0|2,0,0]=4 180 B11R2.191 ICC1COC2OCCC12 91349 [0,0,0,2,0,0|2,0,0]=4 181 B11R2.191 NCC1COC2OCCC12 91350 [0,0,0,2,0,0|2,0,0]=4 182 B11R2.164 NC[C@H]1CN2CCC1CC2 C77543 [0,0,0,2,0,0|2,0,0]=4 183 B11R2.238 C1CN(C[C@H]2CO2)CCO1 A12535 [0,0,0,2,0,0|2,0,0]=4 184 B11R2.239 C1CC([C@@H]2CNCCO2)C1 F53791 [0,0,0,2,0,0|1,0,0]=3 185 B11R2.1261 C1CCC2(C1)COCCN2 33394 [0,0,0,2,0,0|2,0,0]=4 186 B11R2.1261 C1CCC2(CC1)CCCN2 F53116 [0,0,0,2,0,0|1,0,0]=3 187 B11R2.1261 C1CCC2(CCCC2)NC1 S11526 [0,0,0,2,0,0|1,0,0]=3 188 B11R2.1261 C1COC2(C1)CCNCC2 F13279 [0,0,0,2,0,0|1,0,0]=3 189 B11R2.3 Br[C@H]1CCCC12OCCO2 AC6874 [0,0,0,2,0,0|2,0,0]=4 190 B11R2.1242 C1CNCCC2(C1)CCC2 84562 [0,0,0,2,0,0|2,0,0]=4