0 B6R0.6 C=CCCCCBr B9212 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCCCCO H41549 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 CC=CCCCO H41548 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CCCCCC[Mg+] H31703 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 CCCCCNC M41618 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 CCC\C=C\CO H41550 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CCOCCC#N E41255 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C\C=C\C=C\CO H69109 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 O=CCCCCCl C41277 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 O=CCCCCO H32202 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 BrC\C=C\CBr D60806 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 NC\C=C/CCl C65470 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 NC\C=C/CN B69714 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 NOCC=CCl C39871 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 C=CCCCCCBr B43831 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.1 C=CCCCCNC M43901 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.1 C=CCCCCNC M46504 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.1 O=CCCCCC=O A3137 [0,1,0,0,0,0|0,0,3]=4 25 B7R0.3 C=CCOC(=O)CI P7846 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.4 CC(=O)CCCCBr B41532 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.4 CCCCOC(N)=O B39165 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.4 CNCCCC(=O)O M63276 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.4 COCCCC(=O)O M67387 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.4 NC(=O)COCCCl C40247 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.7 CCOC(=O)CNC S69399 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.7 CCOC(=O)CNN E67459 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.7 CCOC(=O)CSC E40386 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 BrCC1=CSC=C1 B60823 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.1 CCC1=NC=CN1 E68629 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.1 CCC1=NN=CO1 E37555 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 CCN1C=NC=N1 E40218 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 COC1=CC=CS1 M41123 [0,0,0,1,0,0|1,1,1]=4 56 B7R1.1 COC1=CSC=C1 M41124 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 ClCC1=CN=CS1 C32421 [0,0,0,1,0,0|2,1,0]=4 58 B7R1.1 ClCC1=CNC=N1 C2088 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 ClCC1=CSC=N1 C2334 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 NCC1=CC=CN1 P41359 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 NCC1=CC=CS1 A12813 [0,0,0,1,0,0|1,1,1]=4 62 B7R1.1 NCC1=CN=CN1 A69377 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 NCC1=CN=CO1 X11178 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 NCC1=CN=CO1 X17340 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 NCC1=CN=CS1 T11225 [0,0,0,1,0,0|2,1,0]=4 66 B7R1.1 NCC1=CN=CS1 T37607 [0,0,0,1,0,0|2,1,0]=4 67 B7R1.1 NCC1=CN=CS1 T40190 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.1 NCC1=CNC=C1 P26218 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 NCC1=CNC=N1 K40332 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 NCC1=COC=N1 A40322 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 NCC1=COC=N1 O7924 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 NCC1=COC=N1 X11296 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 NCC1=CSC=C1 T41357 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 NCC1=CSC=N1 T13924 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.1 NCC1=CSC=N1 T29521 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.1 O=CC1=CC=CN1 P64891 [0,0,0,1,0,0|1,0,2]=4 77 B7R1.1 O=CC1=CC=CS1 T68614 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.1 O=CC1=CC=NO1 K40060 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|0,0,2]=3 80 B7R1.1 O=CC1=CNC=C1 P25022 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.1 O=CC1=COC=C1 F65465 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.1 O=CC1=CSC=C1 T12697 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.1 O=CC1=NNC=C1 P23454 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.1 O=CC1=NOC=C1 I0114 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|0,0,2]=3 86 B7R1.1 OCC1=CC=CS1 T12815 [0,0,0,1,0,0|1,1,1]=4 87 B7R1.1 OCC1=CN=CN1 I14077 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 OCC1=CN=CO1 X14033 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 OCC1=CN=CS1 T2166 [0,0,0,1,0,0|2,1,0]=4 90 B7R1.1 OCC1=CNC=N1 H2067 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.1 OCC1=COC=C1 F41115 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.1 OCC1=COC=N1 O7923 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.1 OCC1=CSC=C1 T12827 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 OCC1=CSC=N1 T2165 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 C[N+]1=CC=CC=C1 M38728 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 O=C1C=CC=NN1 P5932 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.3 O=C1C=NC=CN1 H68630 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 O=C1N=CC=CN1 P67458 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.4 CN1C=CN=C1Br B9674 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 CN1C=CN=C1Cl C3018 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 CN1C=CN=C1I I2903 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.4 CN1C=CN=C1N M40330 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 CN1C=CN=C1N M67646 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 CN1NC=CC1=O M40184 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|1,0,1]=3 127 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|0,0,2]=3 128 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.6 COC=C1COC1 M6231 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,1,0,0|1,0,1]=3 135 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,2]=4 137 B4R0.2 C=CCON A39923 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.4 CCCCC(=N)N P41343 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,2,0,0,0,0|0,0,1]=3 163 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|0,0,2]=4 164 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|0,0,2]=4 165 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,2,0,0,0,0|1,0,1]=4 167 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|1,0,1]=4 168 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|0,0,2]=4 169 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|0,0,2]=4 170 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|0,0,2]=4 172 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|0,0,2]=4 173 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.9 COC(=O)CCC(=O)O M37827 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.9 COC(=O)NCC(=O)O M40229 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,2,0,0,0,0|1,1,0]=4 183 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,2,0,0,0,0|0,0,2]=4 184 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|1,0,0]=3 185 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|0,0,1]=3 186 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,1,0,0|1,0,1]=4 187 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,1,0,0|0,1,1]=4 188 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,1,0,0|1,1,0]=4 189 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|1,0,1]=4 190 B6R1.2 CC1=COC=N1 M13405 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,1,0,0|2,0,0]=4 192 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.2 NC1CC=CC1 A13279 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,0]=2 196 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,0]=3 197 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|0,0,0]=2 200 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,0,0]=3 205 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|0,0,2]=4 208 B6R1.3 O=CNC1CC1 C65862 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.2 CCC1=NC=CN=C1 E43180 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|0,0,2]=4 214 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|0,0,2]=4 215 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,0]=2 219 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.5 CN1C=CC=CC1=O M62252 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.8 CCCC1=CC=CS1 P43744 [0,1,0,1,0,0|0,1,1]=4 238 B8R1.8 CNCC1=CC=CS1 M43398 [0,1,0,1,0,0|0,1,1]=4 239 B8R1.8 CNCC1=CSC=C1 M43396 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.8 NCCC1=CC=CS1 T12818 [0,1,0,1,0,0|0,1,1]=4 241 B8R1.8 NCCC1=CN=CS1 T41396 [0,1,0,1,0,0|1,1,0]=4 242 B8R1.8 NCCC1=CSC=C1 T1049 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.8 NCCC1=CSC=C1 T10491 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.8 OCCC1=CC=CS1 T12817 [0,1,0,1,0,0|0,1,1]=4 245 B8R1.8 OCCC1=CN=CN1 K41362 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.8 OCCC1=CNC=N1 I10449 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.8 OCCC1=CSC=C1 T12832 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.11 CC1=CSC=C1C=O M29934 [0,1,0,1,0,0|0,0,2]=4 251 B8R1.11 CCN1C=CN=C1C E63017 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.11 CN1C=CC=C1C=O M17296 [0,1,0,1,0,0|0,0,2]=4 254 B8R1.11 CN1C=CN=C1C=O M14037 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.11 CN1N=CC=C1C=O M12515 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.49 C1=CCCC=CCC1 B62320 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.49 C1=CCCC=CCC1 B68003 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,1,0,0|0,1,1]=4 267 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,1,0,1,0,0|1,1,0]=4 269 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,1,0,1,0,0|1,1,0]=4 270 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|0,0,2]=4 275 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|0,0,2]=4 279 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|0,0,1]=3 282 B8R1.50 CN1C(=O)C=CC1=O M62371 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|0,0,2]=4 297 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|0,0,1]=3 300 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,1,0,1,0,0|0,1,1]=4 307 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,1,0,1,0,0|0,1,1]=4 309 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|1,0,1]=4 322 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|0,0,2]=4 346 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,1,0,1,0,0|0,0,2]=4 347 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 352 B8R2.34 C1=CC2C=CC1C2 B61169 [0,0,0,2,0,0|1,0,0]=3 353 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,2,0,0|1,0,1]=4 354 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,2,0,0|1,0,1]=4 355 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|0,0,2]=4 356 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|0,0,2]=4