0 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [0,0,0,0,0,0|0,0,0]=0 1 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [0,0,0,0,0,0|1,0,0]=1 2 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [0,0,0,0,0,0|1,0,0]=1 3 B15R0.366 CCCCCC\C=C\CCCC(=O)OCC Amb24066550 [0,0,0,0,0,0|0,0,2]=2 4 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.337 CCCCCCCCCCCC(=O)NN Amb6572508 [1,0,0,0,0,0|2,0,0]=3 6 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [1,0,0,0,0,0|2,0,0]=3 7 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [1,0,0,0,0,0|0,0,0]=1 8 B14R0.337 CCCCCCCCCCCC(Cl)CCl Amb9787197 [1,0,0,0,0,0|2,0,1]=4 9 B14R0.337 CCCCCCCCCCNC(=O)CCl Amb3366789 [1,0,0,0,0,0|2,0,0]=3 10 B14R0.337 CCCCCCCCCCOC(=O)CBr Amb1103529 [1,0,0,0,0,0|2,0,0]=3 11 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [1,0,0,0,0,0|1,0,0]=2 12 B14R0.337 CCCCCCCCCCOC(=O)CCl Amb6618965 [1,0,0,0,0,0|2,0,0]=3 13 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [1,0,0,0,0,0|1,0,0]=2 14 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [1,0,0,0,0,0|1,0,0]=2 15 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [1,0,0,0,0,0|1,0,0]=2 16 B14R0.392 CCCCCCCCCCCCCCBr Amb8513855 [1,0,0,0,0,0|2,0,1]=4 17 B14R0.392 CCCCCCCCCCCCCCCl Amb8384591 [1,0,0,0,0,0|2,0,1]=4 18 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [1,0,0,0,0,0|2,0,1]=4 19 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [1,0,0,0,0,0|2,0,1]=4 20 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [1,0,0,0,0,0|2,0,1]=4 21 B14R0.392 CCCCCCCCCCCCC[NH2+]C Amb9787093 [1,0,0,0,0,0|2,0,1]=4 22 B14R0.392 CCCCCCCCCCCCSCC Amb4008818 [1,0,0,0,0,0|0,1,1]=3 23 B14R0.392 CCCCCCCCCCCNCCC Amb9787065 [1,0,0,0,0,0|2,0,0]=3 24 B14R0.392 CCCCCCCCCCCOCCO Amb9787691 [1,0,0,0,0,0|3,0,0]=4 25 B14R0.392 CCCCCCCCCCC[NH2+]CCC Amb9787083 [1,0,0,0,0,0|2,0,0]=3 26 B14R0.392 CCCCCCCCCNCCCCC Amb7761764 [1,0,0,0,0,0|2,0,1]=4 27 B14R0.392 CCCCCCCCC[NH2+]CCCCC Amb9787092 [1,0,0,0,0,0|2,0,1]=4 28 B14R0.392 CCCCCCCCNCCCCCC Amb7757641 [1,0,0,0,0,0|2,0,1]=4 29 B14R0.392 CCCCCCCNCCCCCCC Amb495299 [1,0,0,0,0,0|2,0,1]=4 30 B14R0.392 CCCCCCCNCCCCCCC Amb839439 [1,0,0,0,0,0|2,0,1]=4 31 B14R0.392 CCCCCCCOCCCCCCC Amb4008530 [1,0,0,0,0,0|2,0,1]=4 32 B14R0.392 CCCCCCCSCCCCCCC Amb9787168 [1,0,0,0,0,0|2,0,1]=4 33 B14R0.392 CC\C=C/CCCCCCCCCCO Amb33756791 [1,0,0,0,0,0|2,0,0]=3 34 B14R0.392 CC\C=C\CCCCCCCCCC=O Amb2721580 [1,0,0,0,0,0|2,0,1]=4 35 B14R0.392 CC\C=C\CCCCCCCCCCO Amb539676 [1,0,0,0,0,0|2,0,0]=3 36 B14R0.393 CCCCCCCCCCC(=O)CCC Amb9031611 [1,0,0,0,0,0|1,0,0]=2 37 B14R0.393 CCCCCCCCCCC(=O)OCC Amb8513621 [1,0,0,0,0,0|0,0,0]=1 38 B14R0.393 CCCCCCCCCCC(O)CCC Amb24099722 [1,0,0,0,0,0|1,0,2]=4 39 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [1,0,0,0,0,0|3,0,0]=4 40 B14R0.393 CCCCCCCNCCC(=O)NCC Amb20171956 [1,0,0,0,0,0|2,0,0]=3 41 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [1,0,0,0,0,0|1,0,0]=2 42 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [1,0,0,0,0,0|1,0,0]=2 43 B14R0.393 CCOC(=O)CCCCCCCCCN Amb33804740 [1,0,0,0,0,0|1,0,0]=2 44 B14R0.393 CCOC(=O)CCCCCCCN=C=O Amb32665818 [1,0,0,0,0,0|2,0,1]=4 45 B14R0.393 CCOC(=O)CCCCCCCN=C=S Amb33471719 [1,0,0,0,0,0|2,0,1]=4 46 B16R0.61 CCCCCCCCCCCCC(=O)OCCl Amb32414072 [0,1,0,0,0,0|1,0,0]=2 47 B16R0.61 CCOC(=O)CCCCCCCCCCCBr Amb32406014 [0,1,0,0,0,0|0,0,0]=1 48 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb28858255 [0,1,0,0,0,0|0,0,0]=1 49 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb32668359 [0,1,0,0,0,0|0,0,0]=1 50 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC Amb5718047 [0,1,0,0,0,0|1,0,1]=3 51 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC Amb30627695 [0,1,0,0,0,0|0,0,1]=2 52 B16R0.299 CCCCCC(=O)CCCCCC(=O)OCC Amb6305819 [0,1,0,0,0,0|0,0,1]=2 53 B16R0.302 CCCCCCCCCCCC(=O)NC(N)=S Amb3989756 [0,1,0,0,0,0|2,0,1]=4 54 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C Amb17935700 [0,1,0,0,0,0|0,0,0]=1 55 B16R0.661 CCCCCCCCCCCC(=O)NCCO Amb4015062 [0,1,0,0,0,0|1,0,0]=2 56 B16R0.661 CCCCCCCCCCCC(=O)OCCC Amb9787145 [0,1,0,0,0,0|0,0,0]=1 57 B16R0.661 CCCCCCCCCCCC(=O)OCCCl Amb9789397 [0,1,0,0,0,0|0,0,0]=1 58 B16R0.661 CCCCCCCCCCNC(=O)CCCCl Amb17324426 [0,1,0,0,0,0|2,0,0]=3 59 B16R0.1183 CCCCCCCCCCC(Br)C(=O)OCC Amb22734285 [0,1,0,0,0,0|0,0,0]=1 60 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,0,0,1,0,0|2,0,0]=3 61 B16R1.890 CCOC(=O)CCNCC1CCCN1CC Amb9024132 [0,0,0,1,0,0|2,0,0]=3 62 B16R1.932 CCOC(=O)CCNCCC1=CCCCC1 Amb20171961 [0,0,0,1,0,0|1,0,2]=4 63 B16R1.932 CCOC(=O)CCNCCN1CCCCC1 Amb20673279 [0,0,0,1,0,0|2,0,0]=3 64 B16R1.932 CCOC(=O)CCNCCN1CCOCC1 Amb9024238 [0,0,0,1,0,0|3,0,0]=4 65 B16R1.1193 CCCCCCCCCCSC1=NCCN1 Amb32956212 [0,0,0,1,0,0|3,0,0]=4 66 B16R1.1193 CCCCCCCCCCSC1=NCCN1 Amb33378987 [0,0,0,1,0,0|3,0,0]=4 67 B16R1.1363 [N-]=[N+]=C1CCCCCCCCCCCC1=O Amb17596070 [0,0,0,1,0,0|3,0,0]=4 68 B16R1.2034 CCOC(=O)CCNC1CCCCCCC1 Amb9024242 [0,0,0,1,0,0|1,0,0]=2 69 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [0,0,0,1,0,0|2,0,0]=3 70 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [0,0,0,1,0,0|1,0,0]=2 71 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [0,0,0,1,0,0|1,0,0]=2 72 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [0,0,0,1,0,0|1,0,2]=4 73 B16R1.14009 CCOC(=O)CCCCCC1CCCC1=O Amb6357384 [0,0,0,1,0,0|1,0,1]=3 74 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [2,0,0,0,0,0|0,0,2]=4 75 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [2,0,0,0,0,0|1,0,0]=3 76 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [2,0,0,0,0,0|0,0,0]=2 77 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [2,0,0,0,0,0|0,0,1]=3 78 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [2,0,0,0,0,0|0,0,1]=3 79 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [2,0,0,0,0,0|1,0,1]=4 80 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [2,0,0,0,0,0|1,0,1]=4 81 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [2,0,0,0,0,0|1,0,0]=3 82 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [2,0,0,0,0,0|1,1,0]=4 83 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [2,0,0,0,0,0|2,0,0]=4 84 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [2,0,0,0,0,0|2,0,0]=4 85 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [2,0,0,0,0,0|0,0,2]=4 86 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [2,0,0,0,0,0|0,0,2]=4 87 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [2,0,0,0,0,0|1,0,0]=3 88 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [2,0,0,0,0,0|1,0,0]=3 89 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [2,0,0,0,0,0|2,0,0]=4 90 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [2,0,0,0,0,0|1,0,0]=3 91 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [2,0,0,0,0,0|1,0,1]=4 92 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [2,0,0,0,0,0|2,0,0]=4 93 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [2,0,0,0,0,0|1,0,0]=3 94 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [2,0,0,0,0,0|1,0,0]=3 95 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [2,0,0,0,0,0|1,0,0]=3 96 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [2,0,0,0,0,0|1,0,0]=3 97 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [2,0,0,0,0,0|1,0,0]=3 98 B13R0.147 C=CCCCCCCCCC(=O)OC Amb612439 [2,0,0,0,0,0|0,0,2]=4 99 B13R0.147 CC#CCCCCCCCC(=O)OC Amb22641576 [2,0,0,0,0,0|0,0,2]=4 100 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [2,0,0,0,0,0|2,0,0]=4 101 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [2,0,0,0,0,0|0,0,0]=2 102 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [2,0,0,0,0,0|2,0,0]=4 103 B13R0.147 CCCCCCCNCCC(=O)NC Amb18333360 [2,0,0,0,0,0|2,0,0]=4 104 B13R0.147 COC(=O)CCCCCCCCC=O Amb9787740 [2,0,0,0,0,0|1,0,1]=4 105 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [2,0,0,0,0,0|1,0,0]=3 106 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [2,0,0,0,0,0|1,0,0]=3 107 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [2,0,0,0,0,0|1,0,0]=3 108 B13R0.147 C\C=C\CCCCCCCC(=O)OC Amb22641574 [2,0,0,0,0,0|0,0,2]=4 109 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [2,0,0,0,0,0|1,0,1]=4 110 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [2,0,0,0,0,0|0,0,1]=3 111 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [2,0,0,0,0,0|1,0,1]=4 112 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [2,0,0,0,0,0|1,0,1]=4 113 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [2,0,0,0,0,0|1,0,1]=4 114 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [2,0,0,0,0,0|1,0,1]=4 115 B13R0.336 CCCCCCCCCCCCON Amb24117984 [2,0,0,0,0,0|1,0,1]=4 116 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [2,0,0,0,0,0|0,1,0]=3 117 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [2,0,0,0,0,0|1,0,1]=4 118 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [2,0,0,0,0,0|1,0,1]=4 119 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [2,0,0,0,0,0|0,0,2]=4 120 B13R0.2 C=COC(=O)CCCCCCCCC Amb17672564 [2,0,0,0,0,0|0,0,2]=4 121 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [2,0,0,0,0,0|1,0,0]=3 122 B13R0.2 CCCCCCCCCC(=O)OCCl Amb31282507 [2,0,0,0,0,0|1,0,0]=3 123 B13R0.2 CCCCCCCCCC(=O)OCI Amb32410583 [2,0,0,0,0,0|1,0,0]=3 124 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [2,0,0,0,0,0|1,0,0]=3 125 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [2,0,0,0,0,0|1,0,1]=4 126 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [2,0,0,0,0,0|1,0,0]=3 127 B13R0.2 CCOCCCNCCC(=O)OCC Amb9024081 [2,0,0,0,0,0|2,0,0]=4 128 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [1,1,0,0,0,0|0,0,0]=2 129 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [1,1,0,0,0,0|0,0,0]=2 130 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [1,1,0,0,0,0|0,0,0]=2 131 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [1,1,0,0,0,0|0,0,0]=2 132 B15R0.84 CCCCCCCCCCNC(=O)C(C)Br Amb17332064 [1,1,0,0,0,0|1,0,0]=3 133 B15R0.172 COC(=O)CCCCCCCCC(=O)OC Amb534293 [1,1,0,0,0,0|1,0,1]=4 134 B15R0.172 COC(=O)CCCCCCCCC(F)CBr Amb22547620 [1,1,0,0,0,0|1,0,0]=3 135 B15R0.172 COC(=O)CCCCCCCCC(F)CO Amb22547616 [1,1,0,0,0,0|1,0,0]=3 136 B15R0.172 COC(=O)CCCCCCCCC(O)CF Amb22547611 [1,1,0,0,0,0|1,0,0]=3 137 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [1,1,0,0,0,0|0,0,0]=2 138 B15R0.324 CCCCCCCCNCC(C)C(=O)OC Amb20673404 [1,1,0,0,0,0|1,0,0]=3 139 B15R0.324 CCCCOCCCNCC(C)C(=O)OC Amb20673369 [1,1,0,0,0,0|2,0,0]=4 140 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [1,1,0,0,0,0|0,0,0]=2 141 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC Amb31308367 [1,1,0,0,0,0|0,0,0]=2 142 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC Amb20673405 [1,1,0,0,0,0|1,0,0]=3 143 B15R0.3221 CCCCOCCCNC(C)CC(=O)OC Amb20673370 [1,1,0,0,0,0|2,0,0]=4 144 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [1,1,0,0,0,0|1,0,1]=4 145 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [1,1,0,0,0,0|1,0,1]=4 146 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [1,1,0,0,0,0|1,0,1]=4 147 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [1,1,0,0,0,0|1,0,1]=4 148 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [1,1,0,0,0,0|1,0,1]=4 149 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [1,1,0,0,0,0|1,0,1]=4 150 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [1,1,0,0,0,0|0,0,1]=3 151 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [1,1,0,0,0,0|0,1,1]=4 152 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [1,1,0,0,0,0|2,0,0]=4 153 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [1,1,0,0,0,0|1,0,1]=4 154 B15R0.70 CCCCCCCCCOCCOCCCl Amb9787686 [1,1,0,0,0,0|1,0,1]=4 155 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [1,1,0,0,0,0|1,0,1]=4 156 B15R0.133 CCCCCCCC(N)CCCCCCC Amb29838329 [1,1,0,0,0,0|1,0,1]=4 157 B15R0.149 CCCCCCCCC(O)CCCCCC Amb6869644 [1,1,0,0,0,0|1,0,1]=4 158 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O Amb3354796 [1,1,0,0,0,0|1,0,1]=4 159 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC Amb6305818 [1,1,0,0,0,0|0,0,1]=3 160 B17R0.116 CCCCCCCCCCCOC(=O)CC(C)=O Amb9787153 [0,2,0,0,0,0|1,0,1]=4 161 B17R0.250 CCCCCCCCCCCCCC(=O)OCC Amb8517581 [0,2,0,0,0,0|0,0,0]=2 162 B17R0.250 CCCCCCCCCCCCNC(=O)CNC Amb24115169 [0,2,0,0,0,0|2,0,0]=4 163 B17R0.250 CCOC(=O)CCCCCCCCCCN=[N+]=[N-] Amb34912781 [0,2,0,0,0,0|1,0,0]=3 164 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC Amb8515756 [0,2,0,0,0,0|0,0,1]=3 165 B17R0.191 CCCCCCCCCCNC(=O)C(Br)C(C)C Amb17323199 [0,2,0,0,0,0|2,0,0]=4 166 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC Amb15692290 [0,2,0,0,0,0|1,0,0]=3 167 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC Amb6295881 [0,2,0,0,0,0|1,0,1]=4 168 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCN Amb33802338 [0,2,0,0,0,0|1,0,0]=3 169 B17R0.13612 CC(C)(C)OC(=O)NCCCCCCCCCN Amb2695630 [0,2,0,0,0,0|2,0,0]=4 170 B17R0.13612 CC(C)(C)OC(=O)NCCCCCCCCCO Amb34913829 [0,2,0,0,0,0|2,0,0]=4 171 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C Amb20673267 [0,2,0,0,0,0|1,0,0]=3 172 B17R0.13612 CCCCOCCCNCCC(=O)OC(C)(C)C Amb20673221 [0,2,0,0,0,0|2,0,0]=4 173 B17R0.13612 CCCSCCCCCCNC(=O)OC(C)(C)C Amb32657573 [0,2,0,0,0,0|2,0,0]=4 174 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[O-] Amb9791330 [0,2,0,0,0,0|1,0,1]=4 175 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC Amb9787146 [0,2,0,0,0,0|0,0,0]=2 176 B17R0.5570 CCCCCCCCCCC(C#N)C(=O)OCC Amb32661525 [0,2,0,0,0,0|0,0,0]=2 177 B15R1.12 CCCCCCCCC1CCC(=O)CC1 Amb33718613 [1,0,0,1,0,0|0,0,0]=2 178 B15R1.85 CCC1CCCCC1OCCC(=O)OC Amb9206371 [1,0,0,1,0,0|1,0,0]=3 179 B15R1.962 COC(=O)CCCSCC1CCCNC1 Amb17503128 [1,0,0,1,0,0|2,0,0]=4 180 B15R1.962 COC(=O)CCCSCC1CCNCC1 Amb17503029 [1,0,0,1,0,0|2,0,0]=4 181 B15R1.962 COC(=O)CCSCCC1CCCCN1 Amb22395656 [1,0,0,1,0,0|2,0,0]=4 182 B15R1.1091 COC(=O)CCCNC1CCCCC1C Amb8961058 [1,0,0,1,0,0|1,0,0]=3 183 B15R1.11371 COC(=O)C1CCCCCCCCC1=O Amb33330808 [1,0,0,1,0,0|1,0,1]=4 184 B15R1.11631 COC(=O)CCCCCCCCC1CO1 Amb533252 [1,0,0,1,0,0|1,0,0]=3 185 B15R1.35 CCCCCCCCCN1CC=CCC1 Amb32428390 [1,0,0,1,0,0|2,0,0]=4 186 B15R1.1045 CCOCCCNC1CCCCC1CC Amb33496369 [1,0,0,1,0,0|1,0,1]=4 187 B15R1.1951 CCOCCCNC1CCCCCCC1 Amb6700082 [1,0,0,1,0,0|1,0,1]=4 188 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [1,0,0,1,0,0|2,0,0]=4 189 B15R1.778 CCOC(=O)CCCCC1CCNCC1 Amb33804398 [1,0,0,1,0,0|1,0,0]=3 190 B15R1.795 CCOC(=O)CCNCCN1CCCC1 Amb20673278 [1,0,0,1,0,0|2,0,0]=4 191 B15R1.832 CCCCC1CC1CCCC(=O)OCC Amb1946108 [1,0,0,1,0,0|0,0,0]=2 192 B15R1.843 CCCCC1NCCCC1C(=O)OCC Amb33500850 [1,0,0,1,0,0|1,0,0]=3 193 B15R1.1252 CCOC(=O)CCNC1CCCCC1C Amb9024103 [1,0,0,1,0,0|1,0,0]=3 194 B15R1.1264 CCOC(=O)CCCCCOC1CNC1 Amb32941225 [1,0,0,1,0,0|2,0,0]=4 195 B15R1.1273 CCOC(=O)CC1CCCCCCC1N Amb32863516 [1,0,0,1,0,0|1,0,0]=3 196 B15R1.1273 CCOC(=O)C[C@@H]1CCCCCC[C@@H]1N Amb33192979 [1,0,0,1,0,0|1,0,0]=3 197 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 Amb9024251 [1,0,0,1,0,0|1,0,0]=3 198 B15R1.3880 CCOC(=O)CC1CCOCC1OCC Amb32671143 [1,0,0,1,0,0|2,0,0]=4 199 B17R1.995 CCOC(=O)CCNCCCN1CCOCC1 Amb9024206 [0,1,0,1,0,0|2,0,0]=4 200 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 Amb6296829 [0,1,0,1,0,0|1,0,0]=3 201 B17R1.11298 O=C1CCCCCCCCCCCCCCC1 Amb23453288 [0,1,0,1,0,0|1,0,0]=3 202 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 Amb536728 [0,1,0,1,0,0|0,0,0]=2 203 B17R1.444 CC1CCCCCCCCCCCCCC1=O Amb22641509 [0,1,0,1,0,0|1,0,0]=3 204 B17R1.956 CCOC(=O)CCCCC(=O)C1CCCCC1 Amb6305784 [0,1,0,1,0,0|0,0,1]=3 205 B17R1.1001 CCOC(=O)CCCCCC(=O)C1CCCC1 Amb6305790 [0,1,0,1,0,0|0,0,1]=3 206 B17R2.2159 CCOC(=O)\C=C1\CCC2CCCCC2C1 Amb33493119 [0,0,0,2,0,0|0,0,2]=4 207 B17R2.176 CCOC(=O)C1CCCCC12CCNCC2 Amb33804348 [0,0,0,2,0,0|1,0,0]=3 208 B17R2.176 CCOC(=O)C1CNCCC12CCOCC2 Amb33802706 [0,0,0,2,0,0|2,0,0]=4 209 B17R2.179 CCOC(=O)C1CCCN1C2CCNCC2 Amb19008364 [0,0,0,2,0,0|2,0,0]=4 210 B17R2.179 CCOC(=O)C1CNCC1C2CCCCC2 Amb33469341 [0,0,0,2,0,0|1,0,0]=3 211 B17R2.179 CCOC(=O)C1CNCC1C2CCCOC2 Amb33469368 [0,0,0,2,0,0|2,0,0]=4 212 B17R2.179 CCOC(=O)C1CNCC1C2CCOCC2 Amb33469367 [0,0,0,2,0,0|2,0,0]=4 213 B17R2.179 CCOC(=O)[C@@H]1CCO[C@H]1C2CCNCC2 Amb33229752 [0,0,0,2,0,0|2,0,0]=4 214 B17R2.179 CCOC(=O)[C@@H]1CNC[C@H]1C2CCCCC2 Amb33231159 [0,0,0,2,0,0|1,0,0]=3 215 B17R2.280 CCOC(=O)CC1CCCCC12OCCO2 Amb33463044 [0,0,0,2,0,0|2,0,0]=4 216 B17R2.319473 CCOC(=O)C1OC12CCCCCC2CC Amb33071214 [0,0,0,2,0,0|1,0,0]=3 217 B17R2.50412 CCOC(=O)C1CNCC12CCCCCC2 Amb33468938 [0,0,0,2,0,0|1,0,0]=3 218 B17R2.50412 CCOC(=O)C1CNCC12CCCOCC2 Amb33468876 [0,0,0,2,0,0|2,0,0]=4