0 B6R0.3 C=C(CC)C(=O)O 81925 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 C=CC(=O)C(C)C C77506 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.3 CCC(=O)C(N)=S 94003 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CN(C)C(=O)CS AT25548 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 C[C@H](N)C(=O)NO AT14787 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 C[C@H](N)C(=O)NO AT14821 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.3 C=C(CC)CC D90428 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 C=C(SC)SC T70983 [1,0,0,0,0,0|2,1,0]=4 18 B5R0.3 CCC(=O)CCl AT22640 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 CNC(=O)NN A50867 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.3 COC(=N)CCl H10399 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,0,0,0,0,0|0,0,1]=2 22 B5R0.5 CC(=O)[C@H](C)N 91522 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.5 CC(C)C(=O)O A11457 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.5 C[C@H](F)C(=O)O 36890 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.5 [2H]C(=O)N(C)C D99052 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 [2H]N(C)C(C)=O D99692 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.5 CC(C)C(=O)NCO 81303 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.5 CCOC(=N)C(C)C W12825 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.5 CN(C)C(=O)CCCl F53638 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.5 CN(C)C(=O)CCN P17578 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.5 CN(C)C(=O)OCCl C77477 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,0,0,0,0|0,0,0]=1 38 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,1,0,0,0,0|0,0,1]=2 41 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.10 COC(=O)[C@@H](F)CN 94842 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,1,0,0,0,0|0,0,2]=3 46 B7R0.10 COC(=O)\C(C)=C\Br 74621 [0,1,0,0,0,0|0,0,0]=1 47 B7R0.10 COC(=O)\C(C)=C\O 91385 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.13 COC(C)(C)C(C)=O S10204 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.14 [2H]C([2H])(Br)C(=O)OC D97884 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.14 [2H]C([2H])([2H])C(=O)OC D99299 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,0,0,1,0,0|1,0,1]=3 54 B7R1.4 CC1=C(I)NN=C1 72687 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.4 CC1=C(N)C=NO1 AT19805 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.4 CC1=C(N)NN=C1 P11216 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.4 CC1=CNN=C1I 72684 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.4 CN1C=NNC1=O AT21258 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.4 O=C1CCCC1=O AC2232 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,0,1,0,0|1,0,2]=4 63 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,0,0,0,0,1|2,0,1]=4 64 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,0,0,0,0,1|1,0,2]=4 65 B7R0.2 COC(=O)CN(C)C F21349 [0,0,0,0,0,1|1,0,1]=3 66 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,0,0,0,0,1|1,0,1]=3 67 B4R0.1 C=C(Br)C=O AT26024 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.1 C=C[N+](=O)[O-] AT20025 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|0,0,1]=3 72 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.1 CONC(=O)CCl AT14830 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.8 C=CS(=O)(=O)NC AT20641 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.7 CC(=O)C(C)(F)F AT12473 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [1,1,0,0,0,0|0,0,2]=4 86 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.2 COC(=O)[C@H](Cl)C(=O)Cl AT22453 [0,1,0,0,0,1|2,0,0]=4 89 B8R0.2 [2H]C([2H])=C(C)C(=O)OC D99461 [0,1,0,0,0,1|2,0,0]=4 90 B8R0.5 CC(C)OC(=O)OCI D73860 [0,1,0,0,0,1|0,0,2]=4 91 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,1,0,0,0,1|1,0,1]=4 92 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,1,0,0,0,1|1,0,1]=4 93 B8R0.16 COC(=CC(C)=O)OC A50819 [0,1,0,0,0,1|1,0,1]=4 94 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,0,0,0,1|1,0,1]=4 95 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,0,0,0,1|1,0,1]=4 96 B8R0.19 COC(=O)CC(=O)CBr S11869 [0,1,0,0,0,1|1,0,0]=3 97 B8R0.19 COC(=O)\C=C(/N)CF AC7444 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,1,0,0,0,1|0,0,2]=4 99 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,2,0,0,0,0|0,0,0]=2 103 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,2,0,0,0,0|0,0,0]=2 104 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,2,0,0,0,0|1,0,1]=4 105 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,2,0,0,0,0|0,0,2]=4 107 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,2,0,0,0,0|0,0,2]=4 110 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,2,0,0,0,0|0,0,2]=4 111 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.3 COC(=O)[C@H](C)NC=O FD21108 [0,2,0,0,0,0|0,0,1]=3 113 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,2,0,0,0,0|0,0,0]=2 115 B8R0.13 C=CC(C)(C)C(=O)CC F51066 [0,2,0,0,0,0|1,0,1]=4 116 B8R0.13 COC(=O)C(F)(F)CBr AT22612 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [0,2,0,0,0,0|0,0,2]=4 118 B8R0.20 COC(=O)C(C=O)C=O AT21341 [0,2,0,0,0,0|0,0,2]=4 119 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 OC1=CON=C1 AT21052 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [1,0,0,1,0,0|0,0,1]=3 122 B8R1.1 COC1=CC=C(Br)S1 N10622 [0,0,0,1,0,1|2,0,0]=4 123 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,0,0,1,0,1|2,0,0]=4 124 B8R1.1 COC1=NNC(C)=C1 E71889 [0,0,0,1,0,1|2,0,0]=4 125 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,1,0,1|2,0,0]=4 126 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,0,0,1,0,1|1,1,0]=4 127 B8R1.18 CC1=CN(C)C(Br)=N1 71593 [0,0,0,1,0,1|2,0,0]=4 128 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.5 CC1=CC=NNC1=O 20227 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|0,0,2]=4 131 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.5 O=C1NCCNC1=O AT12017 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.11 CC1=C(CCl)C=NO1 AC2811 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.11 CC1=C(CN)C=NO1 72465 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.11 CC1=C(CN)C=NO1 W10068 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.11 CC1=C(CO)ON=C1 A51017 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.11 CCC1=C(N)ON=C1 AT19811 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.11 CNC1=NNC=C1C 57305 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,1,0,1,0,0|1,1,0]=4 145 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.11 COC1=C(C)C=CS1 91670 [0,1,0,1,0,0|0,1,0]=3 147 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,1,0,1,0,0|0,0,2]=4 148 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.50 O=C1CCC(O)=C1F P19516 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,1,0,1,0,0|1,0,0]=3 152 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,0,0,0,0,2|0,0,2]=4