0 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 CCOC(=O)CCCNC AB10379 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 CCOC(=O)CNCCN FD21627 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.5 CCOC(=O)N\N=C\CCl F18063 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.1 CCNC(=O)NCCO AT23087 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.1 CCOC(=O)NCCN AT13715 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.4 CCC#CCCCCC T72039 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.6 CC[C@H](C)CCCCO T72651 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.6 CNC(=O)OCCCN AT13711 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.6 COC(=O)NCCCN AT13710 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.1 CCOC(=O)CCCCCN 77390 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.1 CCOC(=O)COCCCO S11911 [0,1,0,0,0,0|1,0,0]=2 13 B10R0.2 CCCC(=O)CC(=O)CCC AC4162 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,1,0,0,0,0|0,0,0]=1 15 B10R0.3 CCOC(C)COCC(C)O F20819 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.19 C=CCCC(=O)C(=O)OCC F51472 [0,1,0,0,0,0|0,0,3]=4 17 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [0,1,0,0,0,0|0,0,2]=3 18 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.91 C=CCOC(=O)NCCCN F52013 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.10 NCCN1CCNC(=O)C1 AT13739 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.10 O=C1CN(CCO)CCN1 AC1818 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.11 CCOC(=O)N1C=CCC1 C16232 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.11 CCOC(=O)N1CC=CC1 C16247 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.11 CCOC(=O)[C@@H]1CC=NN1 27528 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.11 NCCC(=O)N1CCCC1 C78391 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.11 O=C(CCCl)N1CCCC1 C78373 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.19 CCN1CCCNCC1=O AT20058 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,0,0,1,0,0|1,0,0]=2 35 B10R1.29 CNCCN1CCOC1=O AT18746 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.29 N#CCCN1CCOC1=O AT18742 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.29 N#CCC[C@H]1CCCC1=O AC8276 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.29 NCCCN1CCOC1=O AT18744 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.29 O=C1OCCN1CCCO AT18745 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.29 O=CCCN1CCOC1=O AT18743 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC4663 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC5828 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.130 CCC[C@@H]1NC(=O)OC1=O AC7021 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,0,0,1,0,0|1,0,0]=2 46 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,0,0,1,0,0|1,0,0]=2 47 B10R1.137 CCNC(=O)OC1CNC1 AT23015 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.138 CNCC(=O)NCC1CC1 70891 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.377 CCC[N+]1(C)CCCCC1 T73061 [0,0,0,1,0,0|3,0,0]=4 50 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,1]=3 51 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 CNOCC(=O)OC AT14517 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 COC(=N)CCCCl C76486 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.3 COC(=O)NCCN AT13709 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 61 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CC\C=C/CC(=O)O F18341 [2,0,0,0,0,0|0,0,2]=4 63 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.4 C[S@](=O)CCCCN 13216 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 NCCSCC(=O)O AT25571 [2,0,0,0,0,0|2,0,0]=4 70 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,1,0,0,0,0|1,0,0]=3 71 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,1,0,0,0,0|0,0,2]=4 75 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.24 COC(=O)CC[S@](=O)OC CS2994 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.47 CCCCCC(=O)C(=O)O A11260 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.47 CCCCOC(=O)C(O)O F17058 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.50 CCN(CCCCO)N=O T72602 [1,1,0,0,0,0|2,0,0]=4 82 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,2,0,0,0,0|0,0,0]=2 83 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,2,0,0,0,0|0,0,0]=2 84 B11R0.5 C#CCCC(=O)CC(=O)OCC 89837 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.176 CCOC(=O)CCCCC(=O)Cl S10472 [0,2,0,0,0,0|0,0,1]=3 86 B11R0.176 CCOC(=O)CCCCN(C)C AC6409 [0,2,0,0,0,0|0,0,0]=2 87 B11R0.176 CCOC(=O)NCCCC(=O)O D77267 [0,2,0,0,0,0|1,0,1]=4 88 B11R0.1 CCOC(=O)C[C@H](C)C[N+](=O)[O-] A10550 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.180 CCOC(=O)CNCC(F)(F)F W16251 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.165 CC(C)(C)OC(=O)COCCCl AT17942 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.165 CC(C)(C)OC(=O)CSCCO AT19863 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.165 CC(C)(C)OC(=O)NCCCF 81341 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.165 CCCCCC(=O)OC(C)(C)C AC8549 [0,2,0,0,0,0|0,0,0]=2 95 B11R0.165 CNCCCC(=O)OC(C)(C)C N11057 [0,2,0,0,0,0|1,0,0]=3 96 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC E72416 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.247 CCOC(=O)C(C)(C)CCCCl D87987 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.247 CCOC(=O)C(F)(F)CCC#N 94738 [0,2,0,0,0,0|1,0,1]=4 99 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.33 O=C1OCCN1CCBr AT18747 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.1 CNC1CCC(=O)CC1 AB9600 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.1 O=C1CCC(CBr)CC1 C77512 [1,0,0,1,0,0|1,0,0]=3 113 B9R1.3 CC1CCCC(C)C1C T71900 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.11 C#CC(=O)C1CCCC1 88682 [1,0,0,1,0,0|0,0,2]=4 115 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18760 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.11 CNC(=O)[C@H]1CCNC1 AT18761 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.11 O=C(CBr)N1CCCC1 T71443 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.79 CNC(=O)C[C@H]1CCN1 F50337 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.79 COC(=O)NC1CNC1 AT23018 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.79 NCC(=O)NC1CCC1 98117 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.81 COC(=O)C1CCC1N P20420 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.88 C#CC1CC1C(=O)OC 58313 [1,0,0,1,0,0|0,0,2]=4 132 B9R1.88 COC(=O)C1CC1C#N P14710 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.88 COC(=O)C1CC1CO D73969 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.88 COC(=O)[C@H]1C[C@@H]1C=O AT23980 [1,0,0,1,0,0|1,0,1]=4 135 B11R1.16 CCCC(=O)C1CCNCC1 F16039 [0,1,0,1,0,0|1,0,0]=3 136 B11R1.16 CCNC(=O)N1CCNCC1 AT22987 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.16 CCOC(=O)C1=CCCCO1 S11628 [0,1,0,1,0,0|0,0,2]=4 138 B11R1.16 CCOC(=O)C1=COCCC1 F52657 [0,1,0,1,0,0|0,0,2]=4 139 B11R1.16 CCOC(=O)[C@@H]1C=NCCS1 AC5293 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 H11960 [0,1,0,1,0,0|1,0,0]=3 141 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77675 [0,1,0,1,0,0|1,0,0]=3 142 B11R1.16 CCOC(=O)[C@H]1CCCNC1 56329 [0,1,0,1,0,0|0,0,0]=2 143 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14054 [0,1,0,1,0,0|0,0,0]=2 145 B11R1.30 CCOC(=O)C[C@H]1CCCN1 F14113 [0,1,0,1,0,0|0,0,0]=2 146 B11R1.30 NCCC(=O)NC1CCCC1 F21050 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.127 CCOC1CCC(OCC)O1 F16813 [0,1,0,1,0,0|0,0,2]=4 148 B11R1.180 CNCCCN1CCOC1=O AT18748 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.199 CCOC(=O)C1CSCC1N 69819 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.199 CCOC(=O)[C@@H]1NCC=C1C F12646 [0,1,0,1,0,0|0,0,2]=4 151 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,1,0,1,0,0|0,0,0]=2 152 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,1,0,1,0,0|0,0,0]=2 153 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,1,0,1,0,0|0,0,0]=2 154 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC5829 [0,1,0,1,0,0|1,0,1]=4 155 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC8929 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,1,0,1,0,0|0,0,0]=2 157 B11R1.290 CCOC(=O)CCNC1CC1 AC6776 [0,1,0,1,0,0|0,0,0]=2 158 B11R1.34 CCCC1CC(=O)CC(=O)C1 F16230 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,1,0,1,0,0|0,0,0]=2 160 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [0,1,0,1,0,0|0,0,1]=3 161 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,1,0,1,0,0|0,0,0]=2 162 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 AC6921 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,1,0,1,0,0|0,0,0]=2 164 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,1,0,1,0,0|0,0,0]=2 165 B11R1.77 CC(C)NC(=O)[C@@H]1CCCN1 F21073 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.351 CCOC(=O)C(=O)CC1CC1 P11469 [0,1,0,1,0,0|0,0,1]=3 167 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [0,1,0,1,0,0|0,0,0]=2 168 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [0,1,0,1,0,0|0,0,2]=4 169 B11R1.819 CCOC(=O)C1(N)CC=CC1 AC9000 [0,1,0,1,0,0|0,0,2]=4 170 B11R1.819 CCOC(=O)C1(N)CCCC1 20671 [0,1,0,1,0,0|0,0,0]=2 171 B11R1.819 CCOC(=O)[C@]1(C)CCCO1 AC4486 [0,1,0,1,0,0|1,0,0]=3 172 B11R1.822 CCOC(=O)C1CC(C=O)C1 C91050 [0,1,0,1,0,0|1,0,1]=4 173 B11R1.822 CCOC(=O)C1CC(CO)C1 C91896 [0,1,0,1,0,0|1,0,0]=3 174 B11R1.834 C=CC1CC1(N)C(=O)OCC C11964 [0,1,0,1,0,0|0,0,2]=4 175 B11R1.834 C=CC1CC1(N)C(=O)OCC W17568 [0,1,0,1,0,0|0,0,2]=4 176 B11R1.293 CON(C)C(=O)CC1CCC1 96081 [0,1,0,1,0,0|2,0,0]=4 177 B11R2.36 O=C1CCC2CCNC2C1 D72799 [0,0,0,2,0,0|2,0,0]=4 178 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [0,0,0,2,0,0|2,0,0]=4 179 B11R2.106 O=C1CCNC2CCCC12 F14781 [0,0,0,2,0,0|2,0,0]=4 180 B11R2.106 O=C1CCNC2CCCC12 P10663 [0,0,0,2,0,0|2,0,0]=4 181 B11R2.106 O=C1CNC[C@@H]2CCCN12 90666 [0,0,0,2,0,0|2,0,0]=4 182 B11R2.106 O=C1CNC[C@@H]2CCCN12 F53864 [0,0,0,2,0,0|2,0,0]=4 183 B11R2.106 O=C1CNC[C@@H]2CCCN12 N13360 [0,0,0,2,0,0|2,0,0]=4 184 B11R2.106 O=C1OCCC2CCNC12 33376 [0,0,0,2,0,0|1,0,0]=3 185 B11R2.1478 O=C1CCNC2(CCC2)C1 F13787 [0,0,0,2,0,0|2,0,0]=4 186 B11R2.3 O=C1NCC[C@]12CCNC2 W14002 [0,0,0,2,0,0|2,0,0]=4 187 B11R2.3 O=C1OCC[C@]12CCNC2 F53749 [0,0,0,2,0,0|1,0,0]=3 188 B11R2.202 O=C1OC(=O)C2CCCC12 80161 [0,0,0,2,0,0|1,0,1]=4 189 B11R2.1 O=C1CC[C@H]2CNCCN12 F18941 [0,0,0,2,0,0|2,0,0]=4 190 B11R2.1 O=C1NCC2CNCCC12 P13958 [0,0,0,2,0,0|2,0,0]=4 191 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,0,0,2,0,0|1,0,0]=3 192 B11R2.1 O=C1OC[C@H]2CNCCN12 W10095 [0,0,0,2,0,0|2,0,0]=4 193 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,2,0,0|1,0,0]=3