0 B5R0.3 BrCC(Br)CBr 22430682 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(=O)OC 2825362 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=O)CC 2825371 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(C)CO 2816664 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.3 CCC(N)CO 2204675 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 CCN(N)CC 1778548 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 O=CC(=O)CO 3354149 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 O=CC(Br)C=O 3669024 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 OC(CCl)CCl 2817718 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 OCC(O)CCl 2825766 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 OCC(O)CO 2825442 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 OCC(O)CS 22430414 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 C=C(C)C#N 8420357 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C=C(C)CCl 2825437 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C=CC(=C)C 22430632 [1,0,0,0,0,0|0,0,3]=4 15 B4R0.1 C=CC(C)=O 4434968 [1,0,0,0,0,0|0,0,3]=4 16 B4R0.1 CC(=O)C=O 2825264 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(=O)CBr 2818247 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(=O)CCl 2825445 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC(=O)CN 15296922 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(=O)CO 2825282 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(=O)NN 1778530 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(C)=NO 2816596 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 CC(C)C#N 1519459 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(C)C=O 2825266 [1,0,0,0,0,0|0,0,0]=1 25 B4R0.1 CC(C)CBr 2827161 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(C)CN 1201821 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(C)CO 2825285 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 CC(C)NN 11186491 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(C)[Mg]Cl 22430581 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(Cl)CN 22430566 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(N)CN 2825289 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(O)CN 2825298 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CCC(=O)Cl 1051693 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CCC(=O)O 14605034 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CCC(C)=O 3585902 [1,0,0,0,0,0|0,0,1]=2 36 B4R0.1 CCC(C)Br 2818248 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CCC(C)N 1146656 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CCC(C)O 2825288 [1,0,0,0,0,0|0,0,1]=2 39 B4R0.1 CCC(N)=O 1375166 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CCN(C)C 5221370 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC[N+](=O)[O-] 2825295 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CN(C)C#N 22430679 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CNC(N)=O 1778531 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 COC(=O)Cl 2825463 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 COC(Cl)Cl 2817081 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 COC(N)=O 2825294 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C[C@H](N)CO 7020694203 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C\C(Cl)=C/Cl 22430536 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 NC(=O)CCl 2825454 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 NC(=O)CS 3474154 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 NCC(=O)O 2825296 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 NCC(=O)O 5753509 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 O=C(Cl)CCl 2825844 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 O=C(O)CBr 2827321 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 O=C(O)CCl 2825462 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 O=C(O)CI 2928692 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 O=C(O)CO 2825300 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 O=C(O)CS 2119848 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 O=C([O-])CS 6057377 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 O=CC(=O)O 2825277 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 BrCCCBr 3037079 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.2 C=CCC#N 1519454 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 C=COCC 2825267 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 CCCC#N 1519455 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.2 CCCC=O 2825265 [1,0,0,0,0,0|0,0,0]=1 66 B4R0.2 CCCCBr 2827160 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 CCCCI 2926274 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 CCCCN 2825276 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 CCCCO 2825287 [1,0,0,0,0,0|0,0,2]=3 70 B4R0.2 CCN=C=S 2825382 [1,0,0,0,0,0|1,1,1]=4 71 B4R0.2 CCNCC 2825275 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CNCCCl 11181174 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CNCCO 1869577 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.2 COCCN 1147288 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 COCCO 2825301 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.2 COCOC 2825302 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.2 COCON 6249814 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 CSCC#N 2120662 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 ClCCCBr 2830992 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 N#CCCCl 2825416 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 NCCCBr 3189256 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 NCCCCl 2826653 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 NCCCN 2825290 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 NCCCO 2825297 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 NOCCO 1444402 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 OCCCBr 3585831 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 OCCCCl 2825464 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 OCCCO 2825304 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 SCCC#N 2121354 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 SCCCS 2825722 [1,0,0,0,0,0|1,1,1]=4 91 B6R0.1 C=CC(=O)OCC 2825559 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CCC(C)N=C=O 1055523 [0,1,0,0,0,0|0,0,1]=2 93 B6R0.1 CCN(C)CCO 1901644 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.1 CCOC(=O)C=O 2816807 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.3 CC(C)C(N)C#N 1972915 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 CC(CO)[N+](=O)[O-] 1444408 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CCC(Br)C(=O)Cl 3585900 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.3 CCC(Br)C(=O)O 2842265 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 CCC(Br)C(N)=O 2426701 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 CCC(C)C(=O)O 1202010 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.3 CCC(N)C(=O)O 2825633 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 NC(=O)C(N)CO 7010426 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 NC(CS)C(=O)O 7216850007 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 NC(CS)C(=O)O 7216850009 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 O=C(Cl)C(Br)CBr 15380606 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.3 O=C(O)C(Br)CBr 3137001 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 O=CC(O)C(=O)O 3664128 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 [NH-]C(CS)C(=O)O 22430434 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.8 CC(C)(C#N)CN 3664010 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.8 CC(C)(CN)CO 2204690 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.8 CC(C)(CO)CO 1972924 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.8 COC(C)(C)OC 2816863 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.9 CCC(C#N)CC 2825499 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.9 CCC(CC)CN 2264875 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.9 CCC(CC)CO 2204661 [0,1,0,0,0,0|0,0,2]=3 117 B6R0.9 CCN(CC)CC 22430565 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.9 CCN(CC)CC 2825595 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.9 CCN(CC)CC 6057167 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.9 CC[NH+](CC)CC 0107540119 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.9 CC[SiH](CC)CC 2826026 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.9 COC(CCl)OC 2826255 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.9 COC(CN)OC 1655116 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.9 COC(OC)OC 2825670 [0,1,0,0,0,0|3,0,0]=4 125 B6R1.2 BrC1CCCC1 2828971 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 ClC1CCCC1 2816877 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 NC1CCCC1 2825355 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 O=C1C=CCC1 2825320 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 OC1CCCC1 2825370 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 OC1CCNC1 22588262 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 OC1CCOC1 15296955 [0,0,0,1,0,0|1,0,2]=4 132 B3R0.1 BrCCBr 2931541 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 C(=O)C=C 6057255 [2,0,0,0,0,0|0,0,2]=4 134 B3R0.1 C=CCBr 2826145 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 C=CCCl 2825308 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 C=CCN 3643807 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 CCC#N 1519460 [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 CCC=O 2825243 [2,0,0,0,0,0|0,0,0]=2 139 B3R0.1 CCCBr 2826200 [2,0,0,0,0,0|1,0,0]=3 140 B3R0.1 CCCI 2843705 [2,0,0,0,0,0|1,0,0]=3 141 B3R0.1 CCCN 2825249 [2,0,0,0,0,0|1,0,0]=3 142 B3R0.1 CNOC 2825501 [2,0,0,0,0,0|2,0,0]=4 143 B3R0.1 COC=O 13507909 [2,0,0,0,0,0|1,0,0]=3 144 B3R0.1 CSSC 2816694 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.1 ClCCBr 2819184 [2,0,0,0,0,0|2,0,0]=4 146 B3R0.1 FCCBr 22430481 [2,0,0,0,0,0|2,0,0]=4 147 B3R0.1 NCCCl 2825973 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 NCCN 3585805 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 NCCO 3585939 [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 NCCS 2119122 [2,0,0,0,0,0|1,1,0]=4 151 B3R0.1 NCCS 22430522 [2,0,0,0,0,0|1,1,0]=4 152 B3R0.1 NNC=O 2825252 [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 O=CC=O 2825242 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.1 O=CCCl 2825311 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 OCCBr 2826257 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.1 OCCCl 2825315 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.1 OCCF 22430618 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.1 OCCS 2121589 [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 CC(=O)O 22430651 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 CC(=O)O 2825250 [2,0,0,0,0,0|1,0,1]=4 161 B3R0.2 CC(=O)O 2825650 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 CC(=O)S 6057532 [2,0,0,0,0,0|1,0,1]=4 163 B3R0.2 CC(=O)[O-] 22430506 [2,0,0,0,0,0|1,0,1]=4 164 B3R0.2 CC(C)Br 2826201 [2,0,0,0,0,0|1,0,0]=3 165 B3R0.2 CC(C)Cl 8563287 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.2 CC(C)I 2843704 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 CC(C)N 22430489 [2,0,0,0,0,0|1,0,0]=3 168 B3R0.2 CC(C)N 2825248 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.2 CC(C)S 2816601 [2,0,0,0,0,0|0,1,0]=3 170 B3R0.2 CC(N)=O 2825246 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.2 CN(C)N 1778527 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.2 C[N+](=O)[O-] 6057031 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.2 C[S+](C)C 22430468 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 CC(=O)CCN 1513437 [1,1,0,0,0,0|0,0,1]=3 175 B5R0.1 CC(C)=CCBr 22430446 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 CC(C)CC=O 2825368 [1,1,0,0,0,0|0,0,0]=2 177 B5R0.1 CC(C)CCBr 2829190 [1,1,0,0,0,0|0,0,1]=3 178 B5R0.1 CC(C)CCCl 2825683 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.1 CC(C)CCN 22430471 [1,1,0,0,0,0|0,0,1]=3 180 B5R0.1 CC(C)CCN 2825383 [1,1,0,0,0,0|0,0,1]=3 181 B5R0.1 CC(C)CCO 2825400 [1,1,0,0,0,0|0,0,1]=3 182 B5R0.1 CC(O)CNN 2630835 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.1 CCCC(=O)Cl 1051694 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.1 CCCC(=O)O 2825391 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.1 CCCC(C)=O 1366507 [1,1,0,0,0,0|0,0,1]=3 186 B5R0.1 CCC[N+](=O)[O-] 2816671 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.1 CCOC(=O)Cl 2825723 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.1 CCOC(C)=N 6849557 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CCOC(N)=O 2825409 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CN(C)CCCl 3463724 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CN(C)CCN 1901621 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 CN(C)CCO 1275578 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CNCC(=O)O 1972908 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 CNCC(C)O 1366510 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.1 COCC(=O)Cl 1375180 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 COCC(=O)O 2825420 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.1 COCC(C)O 2816677 [1,1,0,0,0,0|0,0,1]=3 198 B5R0.1 COCC(N)=O 1375171 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.1 NC(=O)CCBr 4787247 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 NCCC(=O)O 2825410 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.1 O=C(O)CCBr 2829509 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.1 O=C(O)CCCl 2825726 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.1 O=C(O)CCO 2255842 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.1 O=C(O)CCS 2825675 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.4 CC(C)(Br)C#N 3668482 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.4 CC(C)(C)C#N 2816615 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.4 CC(C)(C)NN 6849649 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.4 CC(C)(N)C#N 7213780003 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.4 CC(C)(N)CO 2825414 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.4 CC(C)(O)C#N 2825351 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.4 CC(C)(O)CN 7020694197 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.4 CCS(=O)(=O)Cl 22430516 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.4 CCS(C)(=O)=O 1115483 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.4 CCS(N)(=O)=O 2825737 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.4 O=CC(Cl)(Cl)Cl 2833320 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 C=C(C)C(=O)O 2825357 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.5 CC(=O)C(=O)O 2825388 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.5 CC(=O)C(C)=O 2825359 [1,1,0,0,0,0|0,0,2]=4 219 B5R0.5 CC(=O)C(C)C 2825372 [1,1,0,0,0,0|0,0,0]=2 220 B5R0.5 CC(=O)C(C)Cl 2825681 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.5 CC(=O)C(C)O 2825393 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.5 CC(=O)N(C)C 2825378 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(=O)N(C)N 3354157 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.5 CC(Br)C(=O)O 2829508 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.5 CC(C)C(=O)Cl 1051695 [1,1,0,0,0,0|0,0,0]=2 226 B5R0.5 CC(C)C(=O)O 1201986 [1,1,0,0,0,0|0,0,0]=2 227 B5R0.5 CC(C)C(N)=O 1375169 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.5 CC(C)C(N)=S 2043864 [1,1,0,0,0,0|0,1,0]=3 229 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.5 CC(Cl)C(N)=O 2825697 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.5 CC(N)C(=O)O 7216850010 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.5 CC(N)C(C)N 5008336 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.5 CC(O)C(=O)O 2825419 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.5 CC(O)C(C)O 2825429 [1,1,0,0,0,0|0,0,1]=3 235 B5R0.5 CC(S)C(=O)O 2120474 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.5 CN(C)C(=O)Cl 2197768 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.5 C[C@H](N)C(=O)O 22430475 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.5 O=C(Cl)C(Cl)Cl 2828865 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.5 O=C(O)C(Cl)Cl 2826549 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.2 BrCCCCBr 3012932 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.2 C=CCNCC 1868920 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.2 C=CCNCC 6668548 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.2 CCCCCBr 2829189 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.2 CCCCCC 2816646 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.2 CCCCCI 2964723 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.2 CCCCCN 2825386 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.2 CCCCNC 1366508 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 CCNCCO 1901622 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.2 COCCC#N 2816624 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.2 COCCCN 1147289 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.2 COCCCO 2422039 [1,1,0,0,0,0|0,0,2]=4 252 B5R0.2 COCCOC 2825428 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.2 COCN=C=O 1499834 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.2 N#CCCCCl 2825642 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.2 NCCCCN 2825405 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.2 O=C=NCCCl 1499831 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.2 OCCCCCl 2825728 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.2 CC(=O)NC(C)CO 1272770 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.2 CCC(=O)OC(C)=O 22430373 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.2 CCC(N)CC(=O)O 6300639 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.3 CC(CO)NCCO 2342656 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.5 CCCC(N)C(=O)O 2817191 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.5 CCOC(=O)C(C)=O 2825977 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.10 CCC(Br)C(=O)OC 2850161 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.10 CCC(N)C(=O)OC 1901583 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.10 COC(=O)C(Br)CBr 3095977 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.10 COC(=O)C(Cl)CCl 6849722 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.10 COC(=O)C(N)CO 2830265 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.11 COCC(C)(C)C#N 2204697 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.11 COCC(C)(C)CN 2204731 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.13 CC(C)(CCl)C(=O)O 2827155 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.13 CC(C)(CN)C(N)=O 2246539 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.13 CCC(C)(N)C(=O)O 2817189 [0,2,0,0,0,0|0,0,0]=2 274 B7R0.15 CCC(CC)C(=O)O 2825993 [0,2,0,0,0,0|0,0,0]=2 275 B7R0.15 COC(OC)C(C)=O 2826060 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.15 COC(OC)C(C)O 9078758 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.16 C=C(C(=O)O)C(C)C 3354367 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.16 CC(=O)C(Cl)C(C)=O 2827033 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.16 CC(C)C(Br)C(=O)Cl 2204585 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.16 CC(C)C(N)C(=O)O 2826029 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.16 CC(O)C(N)C(=O)O 2826109 [0,2,0,0,0,0|1,0,0]=3 283 B5R1.2 BrC1CCC1 22430603 [1,0,0,1,0,0|1,0,0]=3 284 B5R1.2 O=C1COC1 3463696 [1,0,0,1,0,0|1,0,1]=4 285 B5R1.2 OC1CNC1 3488477 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.2 OC1COC1 5005520 [1,0,0,1,0,0|1,0,1]=4 287 B5R1.2 OC1CSC1 3354159 [1,0,0,1,0,0|1,0,1]=4 288 B5R1.3 ClCC1CO1 2825444 [1,0,0,1,0,0|1,0,1]=4 289 B5R1.3 N#CC1CC1 3630580 [1,0,0,1,0,0|1,0,1]=4 290 B5R1.3 OCC1CC1 1867144 [1,0,0,1,0,0|0,0,2]=4 291 B5R1.1 C1=CCCC1 22430580 [1,0,0,1,0,0|1,0,0]=3 292 B5R1.1 C1=COCC1 22430513 [1,0,0,1,0,0|0,0,2]=4 293 B5R1.1 C1CCNC1 2825262 [1,0,0,1,0,0|1,0,1]=4 294 B5R1.1 C1CCSC1 6849773 [1,0,0,1,0,0|0,1,1]=4 295 B7R1.1 CCC1CCCN1 1972918 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.1 CNC1CCSC1 2219680 [0,1,0,1,0,0|0,1,1]=4 297 B7R1.1 COC1CCNC1 1496837 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.1 ClCC1CCCO1 2826142 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.1 NCC1CCCC1 1038369 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.1 NCC1CCCO1 2825583 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.1 OCC1CCCO1 2825610 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.2 CC1=CC(=O)CC1 2825479 [0,1,0,1,0,0|0,0,1]=3 303 B7R1.2 CC1CCC(=O)O1 2816763 [0,1,0,1,0,0|0,0,0]=2 304 B7R1.2 CC1CNC(=O)O1 7139625 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.2 CC1COC(=O)O1 2816808 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.2 O=C1CC(O)CN1 6849800 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.2 O=C1CCC(=O)N1 2825527 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.2 O=C1CCC(=O)O1 2825548 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.2 O=C1CCC(O)O1 7133026 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.3 CC1CCCCN1 1188004 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.3 CC1CCCNC1 2825545 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.3 CC1CCNCC1 2825543 [0,1,0,1,0,0|1,0,1]=4 313 B7R1.3 CC1CCNCC1 7018704992 [0,1,0,1,0,0|1,0,1]=4 314 B7R1.3 CC1CNCCN1 2825576 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.3 CC1CNCCO1 1145920 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.3 CC1COCCN1 1145918 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.4 CN1CCCC1=O 22430498 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.4 NC1CCSC1=O 2829689 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.6 O=C=NC1CCC1 2214385 [0,1,0,1,0,0|0,0,1]=3 320 B7R1.25 CC1(CO)COC1 2825602 [0,1,0,1,0,0|0,0,2]=4 321 B7R1.18 N=C(N)C1CSC1 6923920 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.18 O=C(O)C1CCC1 22430500 [0,1,0,1,0,0|0,0,0]=2 323 B7R1.29 OCC1(CO)CC1 1972920 [0,1,0,1,0,0|0,0,2]=4 324 B7R2.13 C1NCC2CC12 4061489 [0,0,0,2,0,0|1,0,1]=4