0 B10R0.4 C#CCOCCOCC(=O)O AT11891 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.4 CC(=O)NCCCCCCN D93510 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.4 O=C(O)CCCCCCCO S10749 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.2 C#CCCCCCC(=O)O AT11953 [1,0,0,0,0,0|0,0,2]=3 5 B9R0.2 C=CCCCCCC(=O)O I11997 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.2 C=CCOCCCC(=O)O W18610 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,0,0,0,0,0|0,0,1]=2 8 B9R0.2 CCC\C=C/CCC(=O)O E70288 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.2 COCCOCCC(=O)O C70448 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 O=C(O)CNCCCCO 72467 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.45 CCCCOCCCCO S11917 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.45 CCCOCCOCCO D97202 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [0,1,0,0,0,0|1,0,1]=3 14 B11R0.30 CC(C)\C=C\CCCCC(=O)Cl T73099 [0,1,0,0,0,0|1,0,2]=4 15 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,1,0,0,0,0|1,0,1]=3 17 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,1,0,0,0,0|1,0,0]=2 19 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [0,1,0,0,0,0|0,0,2]=3 21 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [0,1,0,0,0,0|0,0,0]=1 22 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.46 COCCOC(=O)CCC(=O)O D93560 [0,1,0,0,0,0|2,0,1]=4 24 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [0,1,0,0,0,0|1,0,1]=3 25 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,1,0,0,0,0|0,0,1]=2 26 B11R0.148 C#CCOCCOCCC(=O)O C70437 [0,1,0,0,0,0|1,0,2]=4 27 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,1,0,0,0,0|1,0,2]=4 28 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,1,0,0,0,0|0,0,0]=1 29 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.176 CCOC(=O)CCCCC(N)=O 81596 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,0,0,1,0,0|1,0,0]=2 32 B8R0.4 C=CCCCCCC=O N11873 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.4 C=CCCCCCCI W11175 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.4 COCCCCCCBr S10679 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.4 NCCCOCCCO D84663 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.4 OCCCOCCCO AT19326 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.7 COCCNCC(=O)O W16095 [2,0,0,0,0,0|2,0,0]=4 38 B8R0.7 NCCCCCC(=O)O P19609 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.7 NCCCCCC(N)=O AC6029 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 O=C([O-])CCCCCO Y14708 [2,0,0,0,0,0|1,0,1]=4 41 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [1,1,0,0,0,0|1,0,0]=3 42 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [1,1,0,0,0,0|1,0,0]=3 44 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [1,1,0,0,0,0|1,0,1]=4 46 B12R0.4 CCCCCCC[C@H](O)CC(=O)O A10886 [0,2,0,0,0,0|0,0,0]=2 47 B12R0.137 CS(=O)(=O)SCCCCCC(=O)O W13495 [0,2,0,0,0,0|2,0,0]=4 48 B12R0.184 COC(=O)CCNCCCN(C)C Y11404 [0,2,0,0,0,0|2,0,0]=4 49 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,2,0,0,0,0|0,0,1]=3 50 B12R0.251 CCCCCCCC[C@H](N)C(=O)O W18677 [0,2,0,0,0,0|0,0,0]=2 51 B12R0.277 CCOC(=O)CCCCCC(=O)Cl T70303 [0,2,0,0,0,0|1,0,1]=4 52 B12R0.277 CCOC(=O)CCCCCC(C)=O A11116 [0,2,0,0,0,0|1,0,1]=4 53 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,2,0,0,0,0|0,0,0]=2 54 B12R0.119 CCCCCCCCOP(=O)(O)O N11880 [0,2,0,0,0,0|1,0,0]=3 55 B12R0.234 C=CCCCCCCCCC(=O)[O-] C75615 [0,2,0,0,0,0|0,0,1]=3 56 B12R0.234 CC(=O)NCCCNCCCCN 28022 [0,2,0,0,0,0|2,0,0]=4 57 B12R0.234 CCCCCCCCCCC(N)=O Y14687 [0,2,0,0,0,0|1,0,0]=3 58 B12R0.234 COCCOCCOCCC(=O)O W13677 [0,2,0,0,0,0|1,0,0]=3 59 B12R0.268 CC(C)CCCCCCCC(=O)O A11263 [0,2,0,0,0,0|0,0,0]=2 60 B12R0.268 NC(=O)CCCCCCCC(=O)O D97249 [0,2,0,0,0,0|0,0,1]=3 61 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [1,0,0,1,0,0|0,0,0]=2 62 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.18 O=C(O)CC1CCNCC1 20237 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.18 OB(O)CC1CCCCC1 W17229 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.61 CC1CCNCC1C(=O)O 85195 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.61 CC1CNCCC1C(=O)O P12933 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [1,0,0,1,0,0|1,0,0]=3 80 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [1,0,0,1,0,0|1,0,0]=3 81 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [1,0,0,1,0,0|1,0,0]=3 83 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.66 O=C(O)CNC1CCCC1 W15241 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.348 N=C(N)C1CCCCCC1 A11705 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.348 NC(=O)C1CCCCCC1 C72770 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [1,0,0,1,0,0|0,0,2]=4 95 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.17 OCCC[C@H]1CCCCN1 59724 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.161 O=CC1CCCCCCC1 59424 [1,0,0,1,0,0|0,0,0]=2 101 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 N12945 [0,1,0,1,0,0|0,0,0]=2 102 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|0,0,1]=3 103 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O 62908 [0,1,0,1,0,0|1,0,0]=3 104 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O D85951 [0,1,0,1,0,0|1,0,1]=4 105 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O F12969 [0,1,0,1,0,0|1,0,1]=4 106 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O F13116 [0,1,0,1,0,0|1,0,1]=4 107 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,1,0,1,0,0|1,0,0]=3 108 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,1,0,1,0,0|1,0,0]=3 109 B12R1.27 COC(=O)CCN1CCNCC1 AT22940 [0,1,0,1,0,0|2,0,0]=4 110 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,1,0,1,0,0|2,0,0]=4 111 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,1,0,1,0,0|1,0,0]=3 112 B12R1.43 C=C(CN1CCCCC1)C(=O)O AB1575 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O C76628 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14543 [0,1,0,1,0,0|0,0,0]=2 115 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O 90702 [0,1,0,1,0,0|1,0,0]=3 116 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 D76701 [0,1,0,1,0,0|0,0,0]=2 117 B12R1.1416 COCCOC1CC(C(=O)O)C1 D84854 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 P15805 [0,1,0,1,0,0|0,0,0]=2 119 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 P17603 [0,1,0,1,0,0|0,0,0]=2 120 B12R1.54 O=C(O)CCC(=O)N1CCCC1 F20023 [0,1,0,1,0,0|1,0,1]=4 121 B12R1.1009 CC1CCCC(C)N1CC(=O)O AC8743 [0,1,0,1,0,0|1,0,0]=3 122 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,1,0,1,0,0|0,0,0]=2 123 B12R1.21 O=C(O)CCC1CCC(=O)CC1 AC1679 [0,1,0,1,0,0|0,0,1]=3 124 B12R1.252 O=C(O)CCO[C@@H]1CCCCO1 AC3248 [0,1,0,1,0,0|1,0,0]=3 125 B12R1.252 O=C(O)\C=C\CN1CCCCC1 D83613 [0,1,0,1,0,0|0,0,2]=4 126 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AC7875 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.1007 O=C1CCCCC(=O)OCCO1 S11858 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,2,0,0|2,0,0]=4 129 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,2,0,0|2,0,0]=4 130 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,0,2,0,0|2,0,0]=4 131 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,2,0,0|1,0,0]=3 132 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [0,0,0,2,0,0|2,0,0]=4 133 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [0,0,0,2,0,0|1,0,0]=3 134 B12R2.2918 O=C1NCC2(CCNCC2)O1 W17464 [0,0,0,2,0,0|2,0,0]=4 135 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 63463 [0,0,0,2,0,0|1,0,0]=3 136 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 AT20750 [0,0,0,2,0,0|0,0,0]=2 137 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T70765 [0,0,0,2,0,0|1,0,1]=4 138 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T71260 [0,0,0,2,0,0|1,0,1]=4 139 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 C71701 [0,0,0,2,0,0|1,0,0]=3 140 B12R2.252 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 P19215 [0,0,0,2,0,0|1,0,0]=3 141 B12R2.250 O=C(O)C1CC12CCCOC2 D83347 [0,0,0,2,0,0|1,0,0]=3 142 B12R2.250 O=C(O)[C@H]1CC12CCNCC2 D73388 [0,0,0,2,0,0|1,0,0]=3 143 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 38705 [0,0,0,2,0,0|1,0,0]=3