0 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.2 C\C(I)=C\C(=O)O W11497 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|0,0,3]=4 7 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|0,0,3]=4 8 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CC(C)\C=N\O D77551 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C\C=C/B(O)O D78549 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|0,0,1]=2 18 B5R0.1 C\C=C\[N+](=O)[O-] AT20719 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.2 C=C(C#N)OC(C)=O T70740 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|0,0,1]=2 23 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|0,0,2]=3 25 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.9 CC(C)=C[B-](F)(F)F A51270 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.9 C[N+](C)(C)CC(=O)Cl S12388 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.16 [2H]C([2H])=C([2H])C(N)=O D98848 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,1,0,0|1,1,1]=4 42 B7R1.2 CC1=CC(N)=NS1 A51223 [0,0,0,1,0,0|2,1,0]=4 43 B7R1.2 CC1=CN=C(C)O1 AC5679 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,1,0,0|1,1,1]=4 45 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.2 CC1=NSC(I)=C1 W12926 [0,0,0,1,0,0|2,1,0]=4 48 B7R1.2 CC1=NSC(N)=C1 C77679 [0,0,0,1,0,0|2,1,0]=4 49 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,0|1,1,1]=4 50 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.2 O=C1C=C(O)CN1 F14818 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.2 O=C1CNC(=O)S1 C15052 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 O=C1NC(=S)CS1 D74680 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 S=C1CCC(=S)N1 N13284 [0,0,0,1,0,0|2,1,0]=4 64 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,0,1,0,0|0,0,2]=3 65 B5R0.5 C=C(C)C(=O)[O-] F14145 [0,0,0,0,1,0|1,0,1]=3 66 B5R0.5 CC(=O)[C@H](C)N 91522 [0,0,0,0,1,0|1,0,1]=3 67 B5R0.5 CC(C)C(=O)O A11457 [0,0,0,0,1,0|1,0,1]=3 68 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,0,0,0,1,0|1,0,1]=3 70 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,0,0,0,1,0|1,0,2]=4 71 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,1,0|1,0,2]=4 72 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 C[C@H](F)C(=O)O 36890 [0,0,0,0,1,0|2,0,1]=4 75 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 [2H]C(=O)N(C)C D99052 [0,0,0,0,1,0|2,0,0]=3 78 B5R0.5 [2H]N(C)C(C)=O D99692 [0,0,0,0,1,0|2,0,0]=3 79 B7R0.6 C=C(Br)CNC(C)=O AC9658 [0,0,0,0,0,1|1,0,2]=4 80 B7R0.6 CC(=O)NN=C(C)C C12737 [0,0,0,0,0,1|1,0,0]=2 81 B7R0.6 CC(=S)NCC(=O)O D92690 [0,0,0,0,0,1|2,0,1]=4 82 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 72146 [0,0,0,0,0,1|2,0,1]=4 83 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 29758 [0,0,0,0,0,1|3,0,0]=4 84 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,0,1|2,0,1]=4 85 B4R0.1 C=C(Br)C=O AT26024 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|0,0,1]=3 87 B4R0.1 C=C[N+](=O)[O-] AT20025 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 O=C\C=N/O F18478 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 O=C\C=N\O F18186 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.1 CCNC(=O)OC C16084 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.1 CONC(=O)CCl AT14830 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.1 C\C(=C\CO)CO C92111 [1,1,0,0,0,0|0,0,2]=4 100 B6R0.3 C=C(CC)C(=O)O 81925 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.3 C=CC(=O)C(C)C C77506 [1,1,0,0,0,0|0,0,2]=4 102 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,1,0,0,0,0|0,0,2]=4 104 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.4 C=C\C=C/C(=O)O C74528 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.4 C=C\C=C\C(=O)O 35918 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.5 C[Si](C)(C)\C=C\Br 12164 [1,1,0,0,0,0|1,1,0]=4 110 B6R0.7 CC(=O)C(C)(F)F AT12473 [0,1,0,0,1,0|1,0,1]=4 111 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,1,0|1,0,1]=4 112 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,0,0,0,1|0,0,2]=4 113 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,1,0,0,0,1|0,0,1]=3 114 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,0,1|0,0,2]=4 115 B8R0.2 [2H]C([2H])=C(C)C(=O)OC D99461 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.5 CC(C)OC(=O)OCI D73860 [0,2,0,0,0,0|1,0,1]=4 118 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|0,0,2]=4 119 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,2,0,0,0,0|1,0,1]=4 120 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|1,0,1]=4 121 B8R0.16 COC(=CC(C)=O)OC A50819 [0,2,0,0,0,0|0,0,0]=2 122 B8R0.19 COC(=O)CC(=O)CBr S11869 [0,2,0,0,0,0|1,0,1]=4 123 B8R0.19 COC(=O)\C=C(/N)CF AC7444 [0,2,0,0,0,0|1,0,0]=3 124 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,2,0,0,0,0|0,0,2]=4 125 B8R0.24 CS(C)(=O)=NC(=O)CCl AT25736 [0,2,0,0,0,0|2,0,0]=4 126 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,1,0,0|1,1,0]=4 127 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.3 C=C1CCC(=O)CC1 57377 [0,0,0,1,0,1|0,0,2]=4 130 B8R1.3 CC1=CN=C(C)N=C1 C15366 [0,0,0,1,0,1|1,0,1]=4 131 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,0,0,1,0,1|2,0,0]=4 132 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,1|0,0,2]=4 133 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,1|0,0,2]=4 134 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,1,0,0|0,0,2]=4 136 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,1,0,0|0,1,1]=4 138 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,1,0,0|1,1,0]=4 140 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,1,0,0|0,0,2]=4 141 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,1,0,0|1,1,0]=4 146 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|0,0,2]=4 147 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.1 N#CC1=CC(=O)CC1 F18198 [0,1,0,1,0,0|0,0,1]=3 152 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|0,0,2]=4 155 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|0,0,2]=4 157 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|0,0,2]=4 158 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,1,0,0|1,1,0]=4 164 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.18 CC1=CC(C)=C(S)S1 AT16553 [0,1,0,1,0,0|0,1,1]=4 166 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,1,0,0|1,1,0]=4 167 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|0,0,2]=4 171 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,1,0,1,0,0|0,0,0]=2 175 B8R1.34 CC(=O)C=C1COC1 CS1989 [0,1,0,1,0,0|0,0,0]=2 176 B8R1.34 CC(=O)NC1CNC1 33732 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.34 CC(=O)SC1CNC1 P12390 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.50 CC1=NOC(C)=C1Cl D76793 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.50 O=C1CCC(O)=C1F P19516 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,1,0,1,0,0|2,0,0]=4 183 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|0,0,2]=4 184 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,0,0,0,2|1,0,1]=4 185 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,2|1,0,1]=4 186 B8R0.28 CC(C)=CCNC(=N)N 42806 [0,0,0,0,0,2|2,0,0]=4 187 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,2|1,0,1]=4 188 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,2|1,0,1]=4 189 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [0,0,0,0,0,2|2,0,0]=4