0 B6R0.1 C=CCC(=O)NO C91025 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCC(=O)N=C=S AT25941 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCNC(=O)OC C16084 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=N)CCl AC8745 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=S)SC AC9840 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 CC[C@H](N)COC D87652 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CC[C@H](N)COC D87653 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 COCC(=O)CCl D85993 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 COCC(=O)OC F53343 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CONC(=O)CCl AT14830 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 C\C(=C\CO)CO C92111 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 C\C=C/B(O)O D78549 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 C\C=C\[N+](=O)[O-] AT20719 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 CO\C=C\C#N F16426 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.3 C=C(CC)CBr C77504 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 C=C(CC)CC D90428 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 C=C(SC)SC T70983 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.3 CCC(=O)CCl AT22640 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 CCP(Cl)CC A12755 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CNC(=O)NN A50867 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 COC(=N)CCl H10399 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 C\C(=C/I)CO E70219 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 [2H]N(CC)CC D98468 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|0,0,2]=3 37 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CCC(=O)OCOC D72002 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.3 CCCNC(=O)CN C78397 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.3 CCONC(=O)CN AT14835 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 CNC(=O)NCCO AT23083 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 CNC(=O)OCCO AT13707 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.3 CNOCC(=O)OC AT14517 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 COC(=O)CCCN 32601 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.3 COC(=O)NCCN AT13709 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.3 COC(=O)\C=C\C=O D90666 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.3 COC(=O)\C=C\CO AT12483 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.5 CC(C)C(=O)NCO 81303 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.5 CCOC(=N)C(C)C W12825 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.7 C=CCC(=O)CC=C 89933 [0,1,0,0,0,0|0,0,3]=4 55 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.7 CCOC(=O)CCN F19878 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.7 CCSC(=O)OCI C77591 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 O=C(CCBr)CCBr 52047 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.10 COC(=O)\C(C)=C\Br 74621 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.10 COC(=O)\C(C)=C\O 91385 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.1 CCC1=COC=N1 C77618 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 CCC1=NN=CN1 AT12320 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 COC1=NSC=C1 AT11777 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 ClCC1=CSC=C1 AT17055 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 NCC1=CC=NN1 P10323 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 NCC1=CC=NS1 AT13366 [0,0,0,1,0,0|2,1,0]=4 73 B7R1.1 NCC1=COC=C1 61502 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 NCC1=NSC=C1 P10783 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.1 OCC1=CC=CN1 AT16114 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 OCC1=CC=NN1 H11417 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.1 SCC1=CC=CS1 T72725 [0,0,0,1,0,0|1,1,1]=4 78 B7R1.2 CC1=CC(Br)=CO1 I11460 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 CC1=CC(N)=CS1 27442 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1=CC(N)=NS1 A51223 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 CC1=CSC(N)=C1 N12877 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 CC1=CSC(N)=C1 S11464 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.2 CC1=CSC(S)=C1 AT16548 [0,0,0,1,0,0|1,1,1]=4 84 B7R1.2 CC1=NSC(I)=C1 W12926 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1=NSC(N)=C1 C77679 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,1]=3 87 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.2 O=C1C=C(O)CN1 F14818 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.2 O=C1CNC(=O)S1 C15052 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 O=C1NC(=S)CS1 D74680 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 S=C1CCC(=S)N1 N13284 [0,0,0,1,0,0|2,1,0]=4 100 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 O=C1C=NCN=C1 36727 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 OC1=CN=NCC1 S11490 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,1,0,0|0,1,2]=4 108 B7R1.4 CC1=C(S)C=CS1 A10974 [0,0,0,1,0,0|1,1,1]=4 109 B7R1.4 CN1N=CC=C1Cl AT15843 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.4 CN1N=CNC1=O AT21264 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|1,0,1]=3 112 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,0,1,0,0|0,0,2]=3 117 B7R1.22 NCC(=O)C1CC1 C77542 [0,0,0,1,0,0|1,0,2]=4 118 B4R0.1 C=C(Br)CN 94099 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 C=C(Br)CN AC8267 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 C=C(Cl)CI AT26028 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.1 C=C[N+](=O)[O-] AT20025 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 125 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|0,0,1]=3 133 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.2 O=C\C=N/O F18478 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 O=C\C=N\O F18186 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.2 C\C(I)=C\C(=O)O W11497 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.3 C=C(CC)C(=O)O 81925 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.4 C=C\C=C/C(=O)O C74528 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.4 C=C\C=C\C(=O)O 35918 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.6 CCO\C=C\C=O F18326 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.6 C\C=C/CCCCl T71143 [1,1,0,0,0,0|0,0,1]=3 149 B6R0.8 C=CS(=O)(=O)NC AT20641 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.2 [2H]C([2H])=C(C)C(=O)OC D99461 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|0,0,2]=4 153 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,2,0,0,0,0|0,0,2]=4 154 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.16 COC(=CC(C)=O)OC A50819 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.19 COC(=O)CC(=O)CBr S11869 [0,2,0,0,0,0|1,0,1]=4 157 B8R0.19 COC(=O)\C=C(/N)CF AC7444 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.23 CC(C)C(=O)NC(N)=S D86343 [0,2,0,0,0,0|2,0,0]=4 159 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,2,0,0,0,0|0,0,2]=4 160 B8R0.1 CCNC(=O)NCCO AT23087 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.1 CCOC(=O)NCCN AT13715 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,2,0,0,0,0|0,0,0]=2 163 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,2,0,0,0,0|0,0,1]=3 164 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,2,0,0,0,0|1,0,1]=4 165 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,2,0,0,0,0|1,0,1]=4 168 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,2,0,0,0,0|0,0,2]=4 172 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,2,0,0,0,0|1,0,0]=3 173 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.13 C=CC(C)(C)C(=O)CC F51066 [0,2,0,0,0,0|0,0,2]=4 175 B6R1.2 CC1=NSC=C1 AC6637 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,1]=4 178 B6R1.1 C1=COCCO1 T71041 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.1 CC1=CC(CCl)=NN1 AT15945 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.1 CC1=CC(CN)=CO1 AT17525 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.1 CC1=CC(CO)=CO1 AT17479 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.1 CC1=CC(CO)=CS1 AT16765 [0,1,0,1,0,0|1,1,0]=4 183 B8R1.1 CC1=CC(CO)=NN1 O10131 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.1 CC1=CC(CO)=NS1 AT21126 [0,1,0,1,0,0|1,1,0]=4 185 B8R1.1 CC1=CN=C(CCl)O1 AT18576 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.1 CC1=CN=C(CN)O1 P18975 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.1 CC1=CN=C(CN)S1 32702 [0,1,0,1,0,0|1,1,0]=4 188 B8R1.1 CC1=CN=C(CO)N1 P12877 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.1 CC1=CN=C(CO)O1 AT18512 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.1 CC1=COC(CO)=C1 AT17124 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.1 CC1=NC(CCl)=CN1 AT15569 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.1 CC1=NC(CN)=CN1 AT15472 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.1 CC1=NC(CN)=CO1 C71257 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.1 CC1=NC(CN)=CO1 D83900 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.1 CC1=NC(CN)=CS1 D86402 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.1 CC1=NC=C(CCl)O1 C77476 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.1 CC1=NC=C(CCl)S1 AT15077 [0,1,0,1,0,0|1,1,0]=4 198 B8R1.1 CC1=NC=C(CO)N1 W10507 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.1 CC1=NC=C(CO)O1 F12980 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.1 CC1=NNC(CN)=C1 AC1083 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.1 CC1=NOC(CN)=C1 A10590 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 CC1=NSC(CN)=C1 AT21220 [0,1,0,1,0,0|1,1,0]=4 205 B8R1.1 CCC1=CC=C(S)S1 AT16555 [0,1,0,1,0,0|0,1,1]=4 206 B8R1.1 CCC1=CN=C(Br)S1 56511 [0,1,0,1,0,0|1,1,0]=4 207 B8R1.1 CCC1=CN=C(S)S1 E72343 [0,1,0,1,0,0|1,1,0]=4 208 B8R1.1 CCC1=CSC(Br)=N1 32166 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.1 CCC1=NC(Br)=CN1 AT15316 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 CCC1=NN(C)C=C1 C91459 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|0,0,2]=4 212 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.1 CN1C=CC(CBr)=N1 AT15924 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.1 CN1C=CC(CCl)=N1 AT15950 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.1 CN1C=CC(CN)=C1 AT16243 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.1 CNC1=NN(C)C=C1 AT14076 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.1 CNC1=NNC(C)=C1 57298 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.1 CNC1=NOC(C)=C1 AT19802 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.1 COC1=NN(C)C=C1 AT24917 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.1 COC1=NNC(C)=C1 E71889 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.1 N#CC1=CC(=O)CC1 F18198 [0,1,0,1,0,0|0,0,1]=3 222 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.18 CC1=C(C)SC(Br)=C1 95200 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.18 CC1=NN(C)C(I)=C1 71879 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.18 C[C@@H]1NC(=O)NC1=O A12693 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.18 C[C@@H]1NC(=S)NC1=O W17250 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.34 CC(=O)C=C1COC1 CS1989 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,1,0,1,0,0|0,1,1]=4 263 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,1,0,0|0,0,2]=4 264 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,1,0,0|0,0,0]=2 267 B8R1.5 O=C1NCCNC1=O AT12017 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.38 CCC(=O)C1CCC1 F53463 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.50 CC1CCC(C)C1=O F12414 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.50 O=C1CCC(O)=C1F P19516 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.50 O=C1OCC(O)=C1Br D75457 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,1,0,0|0,0,2]=4 278 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,1,0,0|0,1,1]=4 283 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,1,0,0|0,1,1]=4 284 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,1,0,0|0,1,1]=4 285 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.6 CCC=C1CC(O)C1 AT14798 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.8 BrCCC1=CC=CS1 F20027 [0,1,0,1,0,0|0,1,1]=4 293 B8R1.8 CNCC1=CC=NN1 27042 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.8 CNCC1=CC=NN1 AT10969 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.8 CNCC1=CSC=C1 AT16803 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.8 CNCC1=NNC=C1 F31265 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.8 CNCC1=NOC=C1 AT10962 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.8 NCCC1=NNC=C1 AC2815 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.11 CCC1=C(N)C=NO1 AT19807 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.11 CCC1=NNC=C1I I11378 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.11 CCC1=NNC=C1N AT14204 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.11 CCN1N=CC=C1Br F17300 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.11 CCN1N=CC=C1O AT14056 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,1,0,0|0,0,2]=4 308 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|0,0,2]=4 309 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|1,0,1]=4