0 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(N)CC MCULE-2327605941 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C#CC(N)CC MCULE-3572771620 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C#CC(O)C#C MCULE-7108307235 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C#CC(O)C=C MCULE-5849420618 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,0,0,0,0,0|1,0,3]=4 21 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 C=CC(C)C#N MCULE-7507500865 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 C=CC(C)NC MCULE-1929679074 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 C=CC(C)NC MCULE-6382339452 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.3 C=CC(O)C#N MCULE-2341615846 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.3 C=CC(O)C=C MCULE-7283842025 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,0,0,0,0,0|1,0,0]=1 53 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.3 CC(=CI)CI MCULE-3347686188 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.3 CC(CI)CI MCULE-4568725580 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.3 CC(CN)CN MCULE-1464804013 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.3 CC(CN)CN MCULE-3273307813 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.3 CC(CN)CO MCULE-5880795484 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.3 CC(CN)CO MCULE-8083007887 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,0,0,0,0,0|2,0,1]=3 71 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.3 CC(CO)CO MCULE-2340730326 [0,0,0,0,0,0|1,0,2]=3 73 B5R0.3 CC(CO)CS MCULE-1990992504 [0,0,0,0,0,0|1,1,1]=3 74 B5R0.3 CC(CO)NN MCULE-3362748538 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.3 CC(CO)NN MCULE-4440318216 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,0,0,0,0,0|3,0,1]=4 79 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,0,0,0,0,0|1,0,3]=4 81 B5R0.3 CCC(Br)C#N MCULE-4015907163 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,0,0,0,0,0|2,0,0]=2 83 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,0,0,0,0,0|2,0,1]=3 86 B5R0.3 CCC(C)C#N MCULE-6204122967 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,0,0,0,0,0|3,0,1]=4 89 B5R0.3 CCC(C)CC MCULE-2542807917 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.3 CCC(C)CI MCULE-5444509280 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.3 CCC(C)CN MCULE-2777327284 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.3 CCC(C)CN MCULE-7014901600 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.3 CCC(C)CO MCULE-6521026296 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.3 CCC(C)CS MCULE-7795095685 [0,0,0,0,0,0|2,1,1]=4 96 B5R0.3 CCC(C)NC MCULE-2676584804 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.3 CCC(C)NC MCULE-6158046887 [0,0,0,0,0,0|4,0,0]=4 98 B5R0.3 CCC(C)NN MCULE-6074476998 [0,0,0,0,0,0|4,0,0]=4 99 B5R0.3 CCC(C)NN MCULE-8130021960 [0,0,0,0,0,0|4,0,0]=4 100 B5R0.3 CCC(C)NN MCULE-8519369369 [0,0,0,0,0,0|4,0,0]=4 101 B5R0.3 CCC(C)NO MCULE-1247092627 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.3 CCC(C)NO MCULE-6169819668 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.3 CCC(C)OC MCULE-7354431606 [0,0,0,0,0,0|4,0,0]=4 104 B5R0.3 CCC(C)ON MCULE-2907890438 [0,0,0,0,0,0|4,0,0]=4 105 B5R0.3 CCC(C)ON MCULE-4364205813 [0,0,0,0,0,0|4,0,0]=4 106 B5R0.3 CCC(Cl)C#N MCULE-7185233128 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,0,0,0,0,0|2,0,0]=2 108 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,0,0,0,0,0|3,0,1]=4 111 B5R0.3 CCC(F)CN MCULE-1291385596 [0,0,0,0,0,0|3,0,1]=4 112 B5R0.3 CCC(F)CN MCULE-7421331323 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.3 CCC(I)CC MCULE-1119844552 [0,0,0,0,0,0|3,0,1]=4 114 B5R0.3 CCC(N)C#N MCULE-1350483203 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.3 CCC(N)C#N MCULE-3867024162 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.3 CCC(N)CBr MCULE-3567691924 [0,0,0,0,0,0|3,0,1]=4 117 B5R0.3 CCC(N)CC MCULE-4261937519 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.3 CCC(N)CC MCULE-5899128891 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.3 CCC(N)CN MCULE-6911484065 [0,0,0,0,0,0|3,0,1]=4 120 B5R0.3 CCC(N)CN MCULE-8376506697 [0,0,0,0,0,0|3,0,1]=4 121 B5R0.3 CCC(N)CO MCULE-1135809021 [0,0,0,0,0,0|2,0,1]=3 122 B5R0.3 CCC(N)CO MCULE-7588854111 [0,0,0,0,0,0|2,0,1]=3 123 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,0,0,0,0,0|2,0,1]=3 124 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,0,0,0,0,0|2,0,1]=3 125 B5R0.3 CCC(O)CC MCULE-5553645045 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,0,0,0,0,0|2,0,1]=3 127 B5R0.3 CCC(O)CN MCULE-5197026448 [0,0,0,0,0,0|2,0,1]=3 128 B5R0.3 CCC(O)CO MCULE-2488753438 [0,0,0,0,0,0|1,0,1]=2 129 B5R0.3 CCC(O)CO MCULE-7297282094 [0,0,0,0,0,0|1,0,1]=2 130 B5R0.3 CCC(S)CC MCULE-2556259434 [0,0,0,0,0,0|2,1,1]=4 131 B5R0.3 CCC(S)CS MCULE-9332449950 [0,0,0,0,0,0|1,2,1]=4 132 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,0,0,0,0,0|3,0,1]=4 133 B5R0.3 CCN(C)C=O MCULE-2308681384 [0,0,0,0,0,0|3,0,0]=3 134 B5R0.3 CCN(O)CC MCULE-6022935768 [0,0,0,0,0,0|3,0,1]=4 135 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,0,0,0,0,0|3,0,1]=4 136 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,0,0,0,0,0|3,0,1]=4 137 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,0,0,0,0,0|2,0,1]=3 138 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,0,0,0,0,0|2,0,1]=3 139 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,0,0,0,0,0|3,0,1]=4 141 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,0,0,0,0,0|2,0,1]=3 142 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,0,0,0,0,0|2,0,1]=3 143 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,0,0,0,0,0|2,0,1]=3 144 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,0,0,0,0,0|2,0,1]=3 145 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,0,0,0,0,0|1,0,1]=2 146 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,0,0,0,0,0|1,0,1]=2 147 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,0,0,0,0,0|3,0,1]=4 148 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,0,0,0,0,0|3,0,1]=4 149 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,0,0,0,0,0|3,0,1]=4 150 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,0,0,0,0,0|3,0,1]=4 152 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,0,0,0,0,0|3,0,1]=4 154 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,0,0,0,0,0|2,0,1]=3 158 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,0,0,0,0,0|2,0,1]=3 159 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,0,0,0,0,0|3,0,1]=4 161 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,0,0,0,0,0|3,0,1]=4 162 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,0,0,0,0,0|3,0,1]=4 163 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,0,0,0,0,0|2,0,1]=3 164 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,0,0,0,0,0|2,0,1]=3 165 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,0,0,0,0,0|2,0,1]=3 166 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,0,0,0,0,0|1,0,1]=2 167 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,0,0,0,0,0|1,0,1]=2 168 B5R0.3 CN(C=O)C=O MCULE-7774435044 [0,0,0,0,0,0|2,0,2]=4 169 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,0,0,0,0,0|3,0,1]=4 170 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,0,0,0,0,0|2,0,2]=4 171 B5R0.3 CNC(C)CN MCULE-1599162912 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.3 CNC(C)CN MCULE-1637391260 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.3 CNC(C)CO MCULE-3841057780 [0,0,0,0,0,0|3,0,0]=3 174 B5R0.3 CNC(C)CO MCULE-6474892275 [0,0,0,0,0,0|3,0,0]=3 175 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,0,0,0,0,0|3,0,0]=3 176 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,0,0,0,0,0|3,0,0]=3 177 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,0,0,0,0,0|3,0,0]=3 178 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,0,0,0,0,0|3,0,0]=3 179 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,0,0,0,0,0|3,0,0]=3 180 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,0,0,0,0,0|3,0,0]=3 181 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,0,0,0,0,0|3,0,0]=3 182 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,0,0,0,0,0|3,0,0]=3 183 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,0,0,0,0,0|2,0,2]=4 184 B5R0.3 COC(=O)CO MCULE-8734582763 [0,0,0,0,0,0|2,0,2]=4 185 B5R0.3 COC(C)CBr MCULE-6831960550 [0,0,0,0,0,0|4,0,0]=4 186 B5R0.3 COC(C)CCl MCULE-6614968111 [0,0,0,0,0,0|4,0,0]=4 187 B5R0.3 COC(C)CI MCULE-9561627722 [0,0,0,0,0,0|4,0,0]=4 188 B5R0.3 COC(C)CN MCULE-1378513525 [0,0,0,0,0,0|4,0,0]=4 189 B5R0.3 COC(C)CN MCULE-6114730248 [0,0,0,0,0,0|4,0,0]=4 190 B5R0.3 COC(C)CN MCULE-7516064224 [0,0,0,0,0,0|4,0,0]=4 191 B5R0.3 COC(C)CN MCULE-8277408054 [0,0,0,0,0,0|4,0,0]=4 192 B5R0.3 COC(C)CO MCULE-5269990702 [0,0,0,0,0,0|3,0,0]=3 193 B5R0.3 COC(C)CO MCULE-7173093332 [0,0,0,0,0,0|3,0,0]=3 194 B5R0.3 CON(C)C=O MCULE-6743121315 [0,0,0,0,0,0|4,0,0]=4 195 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,0,0,0,0,0|4,0,0]=4 196 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,0,0,0,0,0|4,0,0]=4 197 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,0,0,0,0,0|4,0,0]=4 198 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,0,0,0,0,0|4,0,0]=4 199 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,0,0,0,0,0|3,0,0]=3 200 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,0,0,0,0,0|3,0,0]=3 201 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,0,0,0,0,0|4,0,0]=4 202 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,0,0,0,0,0|4,0,0]=4 203 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,0,0,0,0,0|4,0,0]=4 204 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,0,0,0,0,0|4,0,0]=4 205 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,0,0,0,0,0|3,0,0]=3 206 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,0,0,0,0,0|3,0,0]=3 207 B5R0.3 CSC(C)CN MCULE-8841622109 [0,0,0,0,0,0|4,0,0]=4 208 B5R0.3 CSC(C)CO MCULE-4646435737 [0,0,0,0,0,0|3,0,0]=3 209 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,0,0,0,0,0|2,0,1]=3 210 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,0,0,0,0,0|2,0,1]=3 211 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,0,0,0,0,0|2,0,1]=3 212 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,0,0,0,0,0|2,0,1]=3 213 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,0,0,0,0,0|2,0,1]=3 214 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,0,0,0,0,0|2,0,1]=3 215 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [0,0,0,0,0,0|3,0,1]=4 216 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [0,0,0,0,0,0|3,0,1]=4 217 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,0,0,0,0,0|3,0,1]=4 218 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,0,0,0,0,0|3,0,1]=4 219 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,0,0,0,0,0|3,0,1]=4 220 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,0,0,0,0,0|3,0,1]=4 221 B5R0.3 FCC(I)CF MCULE-1837926612 [0,0,0,0,0,0|3,0,1]=4 222 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [0,0,0,0,0,0|2,0,1]=3 223 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,0,0,0,0,0|3,0,1]=4 224 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [0,0,0,0,0,0|2,0,1]=3 225 B5R0.3 N#CC(Cl)CCl MCULE-2637194973 [0,0,0,0,0,0|3,0,1]=4 226 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,0,0,0,0,0|2,0,1]=3 227 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,0,0,0,0,0|2,0,1]=3 228 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,0,0,0,0,0|2,0,2]=4 229 B5R0.3 NC(CF)CF MCULE-4671221738 [0,0,0,0,0,0|3,0,1]=4 230 B5R0.3 NC(CF)CF MCULE-8916274721 [0,0,0,0,0,0|3,0,1]=4 231 B5R0.3 NC(CO)CF MCULE-3756808200 [0,0,0,0,0,0|2,0,1]=3 232 B5R0.3 NC(CO)CF MCULE-9468719402 [0,0,0,0,0,0|2,0,1]=3 233 B5R0.3 NC(CO)CO MCULE-1559988016 [0,0,0,0,0,0|1,0,2]=3 234 B5R0.3 NC(CO)CO MCULE-4954119952 [0,0,0,0,0,0|1,0,2]=3 235 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,0,0,0,0,0|3,0,1]=4 236 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,0,0,0,0,0|3,0,1]=4 237 B5R0.3 NCC(F)CN MCULE-8855486562 [0,0,0,0,0,0|3,0,1]=4 238 B5R0.3 NCC(F)CO MCULE-6156319956 [0,0,0,0,0,0|2,0,1]=3 239 B5R0.3 NCC(F)CO MCULE-7472307328 [0,0,0,0,0,0|2,0,1]=3 240 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,0,0,0,0,0|2,0,1]=3 241 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,0,0,0,0,0|2,0,1]=3 242 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,0,0,0,0,0|2,0,1]=3 243 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,0,0,0,0,0|2,0,1]=3 244 B5R0.3 NCC(O)CF MCULE-7529777116 [0,0,0,0,0,0|2,0,1]=3 245 B5R0.3 NCC(O)CF MCULE-8092861019 [0,0,0,0,0,0|2,0,1]=3 246 B5R0.3 NCC(O)CN MCULE-4689186078 [0,0,0,0,0,0|2,0,1]=3 247 B5R0.3 NCC(O)CO MCULE-2689763818 [0,0,0,0,0,0|1,0,1]=2 248 B5R0.3 NCC(O)CO MCULE-6096620010 [0,0,0,0,0,0|1,0,1]=2 249 B5R0.3 NCC(O)CO MCULE-7307777212 [0,0,0,0,0,0|1,0,1]=2 250 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,0,0,0,0,0|2,0,1]=3 251 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,0,0,0,0,0|2,0,1]=3 252 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,0,0,0,0,0|2,0,1]=3 253 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,0,0,0,0,0|2,0,1]=3 254 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,0,0,0,0,0|2,0,1]=3 255 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,0,0,0,0,0|2,0,1]=3 256 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,0,0,0,0,0|2,0,1]=3 257 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,0,0,0,0,0|2,0,1]=3 258 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,0,0,0,0,0|1,0,1]=2 259 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,0,0,0,0,0|1,0,1]=2 260 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,0,0,0,0,0|1,0,1]=2 261 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,0,0,0,0,0|2,0,1]=3 262 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,0,0,0,0,0|2,0,1]=3 263 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,0,0,0,0,0|2,0,1]=3 264 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,0,0,0,0,0|2,0,1]=3 265 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,0,0,0,0,0|2,0,1]=3 266 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,0,0,0,0,0|2,0,1]=3 267 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,0,0,0,0,0|2,0,1]=3 268 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,0,0,0,0,0|2,0,1]=3 269 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,0,0,0,0,0|2,0,1]=3 270 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,0,0,0,0,0|1,0,1]=2 271 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,0,0,0,0,0|1,0,1]=2 272 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,0,0,0,0,0|1,0,1]=2 273 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,0,0,0,0,0|1,0,1]=2 274 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,0,0,0,0,0|2,0,2]=4 275 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,0,0,0,0,0|2,0,1]=3 276 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,0,0,0,0,0|2,0,1]=3 277 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,0,0,0,0,0|2,0,1]=3 278 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,0,0,0,0,0|2,0,1]=3 279 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,0,0,0,0,0|2,0,1]=3 280 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,0,0,0,0,0|2,0,1]=3 281 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,0,0,0,0,0|2,0,1]=3 282 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,0,0,0,0,0|2,0,1]=3 283 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,0,0,0,0,0|0,0,4]=4 284 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,0,0,0,0,0|1,0,2]=3 285 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [0,0,0,0,0,0|1,0,3]=4 286 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [0,0,0,0,0,0|1,0,3]=4 287 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,0,0,0,0,0|0,0,2]=2 288 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [0,0,0,0,0,0|1,0,2]=3 289 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [0,0,0,0,0,0|1,0,2]=3 290 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,0,0,0,0,0|0,0,0]=0 291 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,0,0,0,0,0|0,0,0]=0 292 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,0,0,0,0,0|0,0,0]=0 293 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,0,0,0,0,0|0,0,0]=0 294 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,0,0,0,0,0|2,0,1]=3 295 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,0,0,0,0,0|2,0,1]=3 296 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,0,0,0,0,0|2,0,1]=3 297 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,0,0,0,0,0|2,0,1]=3 298 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,0,0,0,0,0|2,0,1]=3 299 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,0,0,0,0,0|2,0,1]=3 300 B5R0.3 OC(CF)CF MCULE-3360341794 [0,0,0,0,0,0|2,0,1]=3 301 B5R0.3 OC(CI)CI MCULE-6842895270 [0,0,0,0,0,0|2,0,1]=3 302 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,0,0,0,0,0|2,0,1]=3 303 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,0,0,0,0,0|1,0,2]=3 304 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,0,0,0,0,0|2,0,1]=3 305 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,0,0,0,0,0|1,0,2]=3 306 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,0,0,0,0,0|2,0,1]=3 307 B5R0.3 OCC(F)CO MCULE-2970537690 [0,0,0,0,0,0|1,0,2]=3 308 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,0,0,0,0,0|1,0,1]=2 309 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,0,0,0,0,0|1,0,1]=2 310 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,0,0,0,0,0|1,0,1]=2 311 B5R0.3 OCC(O)CF MCULE-3575952891 [0,0,0,0,0,0|1,0,1]=2 312 B5R0.3 OCC(O)CF MCULE-8981430411 [0,0,0,0,0,0|1,0,1]=2 313 B5R0.3 OCC(O)CI MCULE-6705992930 [0,0,0,0,0,0|1,0,1]=2 314 B5R0.3 OCC(O)CO MCULE-6349111826 [0,0,0,0,0,0|0,0,2]=2 315 B5R0.3 OCC(O)CS MCULE-6300188207 [0,0,0,0,0,0|0,1,1]=2 316 B5R0.3 OCC(S)CS MCULE-9735516119 [0,0,0,0,0,0|0,2,1]=3 317 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,0,0,0,0,0|1,0,1]=2 318 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,0,0,0,0,0|1,0,1]=2 319 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,0,0,0,0,0|1,0,1]=2 320 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,0,0,0,0,0|1,0,1]=2 321 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,0,0,0,0,0|1,0,1]=2 322 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,0,0,0,0,0|1,0,1]=2 323 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,0,0,0,0,0|1,0,1]=2 324 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,0,0,0,0,0|1,0,1]=2 325 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,0,0,0,0,0|1,0,1]=2 326 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,0,0,0,0,0|2,0,1]=3 327 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,0,0,0,0,0|2,0,1]=3 328 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,0,0,0,0,0|2,0,1]=3 329 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,0,0,0,0,0|2,0,1]=3 330 B4R0.1 BrCC(Br)Br MCULE-1904439252 [1,0,0,0,0,0|3,0,0]=4 331 B4R0.1 C#CB(O)O MCULE-2503425015 [1,0,0,0,0,0|2,0,1]=4 332 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|1,0,2]=4 333 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,0,0,0,0,0|2,0,1]=4 334 B4R0.1 C#CC(C)C MCULE-4600802925 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,0,0,0,0,0|2,0,1]=4 336 B4R0.1 C#CC(C)N MCULE-5174459541 [1,0,0,0,0,0|2,0,1]=4 337 B4R0.1 C#CC(C)N MCULE-7552261137 [1,0,0,0,0,0|2,0,1]=4 338 B4R0.1 C#CC(C)N MCULE-8458008104 [1,0,0,0,0,0|2,0,1]=4 339 B4R0.1 C#CC(C)N MCULE-8872781976 [1,0,0,0,0,0|2,0,1]=4 340 B4R0.1 C#CC(C)O MCULE-6692690957 [1,0,0,0,0,0|1,0,1]=3 341 B4R0.1 C#CC(C)O MCULE-8115962170 [1,0,0,0,0,0|1,0,1]=3 342 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,0,0,0,0,0|2,0,1]=4 343 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,0,0,0,0,0|2,0,1]=4 344 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,0,0,0,0,0|2,0,1]=4 345 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,0,0,0,0,0|2,0,1]=4 346 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,0,0,0,0,0|1,0,1]=3 347 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,0,0,0,0,0|1,0,1]=3 348 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,0,0,0,0,0|2,0,1]=4 350 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,0,0,0,0,0|2,0,1]=4 351 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,0,0,0,0,0|1,0,1]=3 353 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|1,0,1]=3 355 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,1]=4 356 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,1]=4 357 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,1]=4 358 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|1,0,2]=4 359 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|2,0,1]=4 360 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|1,0,1]=3 364 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|1,0,1]=3 365 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|1,0,1]=3 371 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|1,1,1]=4 372 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|1,0,1]=3 378 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|2,0,1]=4 380 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|2,0,1]=4 381 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|1,0,1]=3 383 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|1,0,1]=3 384 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|2,0,0]=3 385 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,0]=3 389 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|1,0,0]=2 392 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|2,0,0]=3 394 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|2,0,0]=3 395 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|2,0,0]=3 396 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|2,0,0]=3 397 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|2,0,0]=3 398 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|2,0,0]=3 399 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|2,0,0]=3 400 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|1,0,0]=2 401 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|0,0,2]=3 405 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,1]=4 408 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|2,0,1]=4 409 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,1]=3 411 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,1,1]=4 412 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|1,0,0]=2 416 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|1,0,1]=3 421 B4R0.1 CC(C)C#N MCULE-8390118776 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|1,0,0]=2 423 B4R0.1 CC(C)CBr MCULE-6039420480 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.1 CC(C)CCl MCULE-6524976746 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.1 CC(C)CI MCULE-5280589461 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|1,0,1]=3 431 B4R0.1 CC(C)CP MCULE-3724358658 [1,0,0,0,0,0|2,0,1]=4 432 B4R0.1 CC(C)CS MCULE-7978911055 [1,0,0,0,0,0|1,1,1]=4 433 B4R0.1 CC(C)NN MCULE-4673953224 [1,0,0,0,0,0|3,0,0]=4 434 B4R0.1 CC(C)NN MCULE-7901160798 [1,0,0,0,0,0|3,0,0]=4 435 B4R0.1 CC(C)NN MCULE-9473118288 [1,0,0,0,0,0|3,0,0]=4 436 B4R0.1 CC(C)NO MCULE-6516566403 [1,0,0,0,0,0|2,0,1]=4 437 B4R0.1 CC(C)NO MCULE-8545146035 [1,0,0,0,0,0|2,0,1]=4 438 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|3,0,0]=4 439 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|3,0,0]=4 440 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,0,0,0,0,0|3,0,0]=4 441 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,0,0,0,0,0|3,0,0]=4 442 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,0,0,0,0,0|2,0,1]=4 445 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,1]=4 447 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|1,0,1]=3 448 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|1,0,1]=3 449 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,1]=4 450 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,1]=4 451 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 CC(N)C#N MCULE-4008524363 [1,0,0,0,0,0|2,0,1]=4 453 B4R0.1 CC(N)C#N MCULE-8654767875 [1,0,0,0,0,0|2,0,1]=4 454 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|1,0,0]=2 455 B4R0.1 CC(N)CBr MCULE-1783493149 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.1 CC(N)CBr MCULE-2775398297 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.1 CC(N)CCl MCULE-8652434595 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.1 CC(N)CCl MCULE-9580466630 [1,0,0,0,0,0|2,0,1]=4 459 B4R0.1 CC(N)CF MCULE-1603143200 [1,0,0,0,0,0|2,0,1]=4 460 B4R0.1 CC(N)CF MCULE-3787216870 [1,0,0,0,0,0|2,0,1]=4 461 B4R0.1 CC(N)CF MCULE-4138869746 [1,0,0,0,0,0|2,0,1]=4 462 B4R0.1 CC(N)CF MCULE-8611760275 [1,0,0,0,0,0|2,0,1]=4 463 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,1]=4 464 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,1]=4 465 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|1,0,1]=3 467 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|1,0,1]=3 468 B4R0.1 CC(N)CS MCULE-1396853557 [1,0,0,0,0,0|1,1,1]=4 469 B4R0.1 CC(N)CS MCULE-4094732666 [1,0,0,0,0,0|1,1,1]=4 470 B4R0.1 CC(O)C#N MCULE-3166802314 [1,0,0,0,0,0|1,0,1]=3 471 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|1,0,1]=3 472 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|1,0,1]=3 473 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|1,0,1]=3 474 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,1]=3 475 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,1]=3 476 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,1]=3 477 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,1]=3 478 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|0,0,1]=2 479 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|0,0,1]=2 480 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|0,1,1]=3 481 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,1]=3 482 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,1]=4 483 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,1]=4 484 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|0,1,1]=3 485 B4R0.1 CC(S)CS MCULE-9264694858 [1,0,0,0,0,0|0,2,1]=4 486 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,1]=4 487 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|2,0,1]=4 490 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|2,0,1]=4 494 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|2,0,1]=4 495 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,1]=3 496 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,1]=3 497 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,1,1]=4 498 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|1,0,2]=4 499 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|2,0,1]=4 500 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|2,0,1]=4 501 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|2,0,1]=4 502 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|2,0,1]=4 503 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|2,0,1]=4 504 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|2,0,1]=4 505 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|2,0,1]=4 506 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|2,0,1]=4 507 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,1]=3 508 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,1]=3 509 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|1,1,1]=4 510 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|2,0,1]=4 511 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|3,0,0]=4 512 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|2,0,1]=4 514 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|2,0,1]=4 515 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|2,0,1]=4 516 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|2,0,1]=4 517 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|2,0,1]=4 518 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,1]=3 519 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,1]=3 520 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|2,0,1]=4 521 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|2,0,1]=4 522 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|2,0,1]=4 523 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|2,0,1]=4 524 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,1]=3 525 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,1]=3 526 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|2,0,0]=3 527 B4R0.1 CN(C)C=S MCULE-3571847382 [1,0,0,0,0,0|2,1,0]=4 528 B4R0.1 CN(C)N=O MCULE-1157726226 [1,0,0,0,0,0|3,0,0]=4 529 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|2,0,0]=3 530 B4R0.1 CNC(C)C MCULE-3849513543 [1,0,0,0,0,0|3,0,0]=4 531 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,0,0,0,0|3,0,0]=4 532 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,0,0,0,0|3,0,0]=4 533 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|1,0,1]=3 534 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|1,0,1]=3 535 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|1,0,1]=3 536 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|1,0,1]=3 537 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,0,0,0,0,0|2,0,1]=4 538 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,0,0,0,0,0|2,0,1]=4 539 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,0,0,0,0,0|2,0,1]=4 540 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,0,0,0,0,0|2,0,1]=4 541 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,0,0,0,0,0|2,0,1]=4 542 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,0,0,0,0,0|2,0,1]=4 543 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,0,0,0,0,0|2,0,1]=4 544 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,1]=4 546 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,1]=4 547 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,1]=4 548 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,1]=4 549 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|1,0,1]=3 550 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|1,0,1]=3 551 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|0,0,0]=1 552 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|1,0,1]=3 553 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|1,0,1]=3 554 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,1]=3 555 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|0,0,1]=2 556 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|0,0,1]=2 557 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|0,1,1]=3 558 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|1,0,1]=3 559 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|1,0,1]=3 560 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|1,0,1]=3 561 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|1,0,1]=3 562 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,0,0,0,0,0|2,0,1]=4 563 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,0,0,0,0,0|2,0,1]=4 564 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,0,0,0,0,0|2,0,1]=4 565 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,0,0,0,0,0|2,0,1]=4 566 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,0,0,0,0,0|2,0,1]=4 567 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,0,0,0,0,0|2,0,1]=4 568 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,1]=4 569 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,1]=4 570 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,1]=4 571 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,1]=4 572 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|1,0,1]=3 573 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|1,0,1]=3 574 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|1,0,1]=3 575 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|1,0,1]=3 576 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,1]=3 577 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,1]=3 578 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|0,0,1]=2 579 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|0,0,1]=2 580 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|0,1,1]=3 581 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [1,0,0,0,0,0|3,0,0]=4 582 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [1,0,0,0,0,0|3,0,0]=4 583 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [1,0,0,0,0,0|3,0,0]=4 584 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [1,0,0,0,0,0|3,0,0]=4 585 B4R0.1 ClC(Br)CBr MCULE-4330156086 [1,0,0,0,0,0|3,0,0]=4 586 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [1,0,0,0,0,0|3,0,0]=4 587 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [1,0,0,0,0,0|3,0,0]=4 588 B4R0.1 FC(Br)CBr MCULE-2977436061 [1,0,0,0,0,0|3,0,0]=4 589 B4R0.1 FC(Cl)CCl MCULE-6531960916 [1,0,0,0,0,0|3,0,0]=4 590 B4R0.1 FC(F)CBr MCULE-5166579689 [1,0,0,0,0,0|3,0,0]=4 591 B4R0.1 FC(F)CI MCULE-4051435294 [1,0,0,0,0,0|3,0,0]=4 592 B4R0.1 FCC(F)Cl MCULE-7439685421 [1,0,0,0,0,0|3,0,0]=4 593 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,1]=4 594 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,1]=4 595 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 596 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 597 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 598 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 599 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,1]=3 600 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,1,1]=4 601 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|2,0,1]=4 602 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,1,1]=4 603 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,1]=4 604 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,1]=4 605 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,1]=4 606 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|1,0,1]=3 607 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|1,0,1]=3 608 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|1,0,1]=3 609 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|1,0,1]=3 610 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|1,0,1]=3 611 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|1,1,1]=4 612 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|1,0,2]=4 613 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,0,0,0,0,0|3,0,0]=4 614 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,0,0,0,0,0|3,0,0]=4 615 B4R0.1 NCC(F)F MCULE-5562582586 [1,0,0,0,0,0|3,0,0]=4 616 B4R0.1 NCC(F)F MCULE-9437628707 [1,0,0,0,0,0|3,0,0]=4 617 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|2,0,1]=4 618 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|2,0,1]=4 619 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 620 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 621 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 622 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 623 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 624 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,1]=3 625 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,1]=3 626 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,1]=3 627 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,1]=3 628 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|0,0,1]=2 629 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|0,1,1]=3 630 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,2]=4 631 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|0,0,2]=3 632 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|0,1,2]=4 633 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|0,1,2]=4 634 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|0,0,2]=3 635 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,0,0,0,0,0|2,0,0]=3 636 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,0,0,0,0,0|2,0,1]=4 637 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,0,0,0,0,0|2,0,1]=4 638 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|1,0,0]=2 639 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,0,0,0,0,0|2,0,1]=4 640 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,0,0,0,0,0|2,0,1]=4 641 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|1,0,1]=3 642 B4R0.1 OB(O)CCl MCULE-1740750359 [1,0,0,0,0,0|2,0,1]=4 643 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|2,0,0]=3 644 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|2,0,0]=3 645 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|2,0,0]=3 646 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|2,0,0]=3 647 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,0,0,0,0,0|1,0,1]=3 648 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,1]=3 649 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|2,0,1]=4 650 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|2,0,1]=4 651 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,0,0,0,0|2,0,1]=4 652 B4R0.2 BrCCCI MCULE-6470610840 [1,0,0,0,0,0|2,0,1]=4 653 B4R0.2 C#CCCBr MCULE-1495603480 [1,0,0,0,0,0|2,0,1]=4 654 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|2,0,1]=4 655 B4R0.2 C#CCCCl MCULE-5602517887 [1,0,0,0,0,0|2,0,1]=4 656 B4R0.2 C#CCCI MCULE-2832310719 [1,0,0,0,0,0|2,0,1]=4 657 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|2,0,1]=4 658 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|2,0,1]=4 659 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|1,0,1]=3 660 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|1,0,1]=3 661 B4R0.2 C#CCNO MCULE-7210831528 [1,0,0,0,0,0|2,0,1]=4 662 B4R0.2 C#CCNO MCULE-8082854360 [1,0,0,0,0,0|2,0,1]=4 663 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|1,0,2]=4 664 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|2,0,1]=4 665 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|1,0,1]=3 666 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|1,0,1]=3 667 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,0,0,0,0|1,0,2]=4 668 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|2,0,1]=4 669 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|2,0,0]=3 670 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|2,0,0]=3 671 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|2,0,0]=3 672 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|2,0,0]=3 673 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|2,0,0]=3 674 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|2,0,0]=3 675 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|1,0,0]=2 676 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|3,0,0]=4 677 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|3,0,0]=4 678 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|3,0,0]=4 679 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|3,0,0]=4 680 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|3,0,0]=4 681 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|3,0,0]=4 682 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|3,0,0]=4 683 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|3,0,0]=4 684 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|2,0,1]=4 685 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|3,0,0]=4 686 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|3,0,0]=4 687 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|1,0,2]=4 688 B4R0.2 CC#CCO MCULE-5096552076 [1,0,0,0,0,0|1,0,2]=4 689 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|1,0,2]=4 690 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|2,0,1]=4 691 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|2,0,1]=4 692 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|2,0,1]=4 693 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|1,0,1]=3 694 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|2,0,1]=4 695 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|2,0,1]=4 696 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|1,0,0]=2 697 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|2,0,1]=4 698 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|2,0,1]=4 699 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|2,0,1]=4 700 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|2,0,1]=4 701 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|2,0,1]=4 702 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|2,0,1]=4 703 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|2,0,1]=4 704 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|2,0,1]=4 705 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|2,0,1]=4 706 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|1,0,1]=3 707 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|1,1,1]=4 708 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|3,0,0]=4 709 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|3,0,0]=4 710 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|3,0,0]=4 711 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|3,0,0]=4 712 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|3,0,0]=4 713 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|3,0,0]=4 714 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|3,0,0]=4 715 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|3,0,0]=4 716 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|3,0,0]=4 717 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,0,0,0,0|2,0,1]=4 718 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|2,0,0]=3 719 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|3,0,0]=4 720 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|3,0,0]=4 721 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|2,0,0]=3 722 B4R0.2 CNCCBr MCULE-3708780806 [1,0,0,0,0,0|3,0,0]=4 723 B4R0.2 CNCCBr MCULE-6840755559 [1,0,0,0,0,0|3,0,0]=4 724 B4R0.2 CNCCCl MCULE-1666345560 [1,0,0,0,0,0|3,0,0]=4 725 B4R0.2 CNCCCl MCULE-8215813413 [1,0,0,0,0,0|3,0,0]=4 726 B4R0.2 CNCCF MCULE-3719880423 [1,0,0,0,0,0|3,0,0]=4 727 B4R0.2 CNCCF MCULE-3751701745 [1,0,0,0,0,0|3,0,0]=4 728 B4R0.2 CNCCI MCULE-7026781832 [1,0,0,0,0,0|3,0,0]=4 729 B4R0.2 CNCCI MCULE-8892686580 [1,0,0,0,0,0|3,0,0]=4 730 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|3,0,0]=4 731 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|3,0,0]=4 732 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|2,0,0]=3 733 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|2,0,0]=3 734 B4R0.2 CNCCS MCULE-6430516369 [1,0,0,0,0,0|2,1,0]=4 735 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|2,0,0]=3 736 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|3,0,0]=4 737 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|3,0,0]=4 738 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|3,0,0]=4 739 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|3,0,0]=4 740 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|3,0,0]=4 741 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|2,0,0]=3 742 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|2,1,0]=4 743 B4R0.2 CSCCBr MCULE-1684461541 [1,0,0,0,0,0|3,0,0]=4 744 B4R0.2 CSCCCl MCULE-8593103756 [1,0,0,0,0,0|3,0,0]=4 745 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|3,0,0]=4 746 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|3,0,0]=4 747 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|2,0,0]=3 748 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|2,0,1]=4 749 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|2,0,1]=4 750 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|2,0,1]=4 751 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,0,0,0,0|2,0,1]=4 752 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,0,0,0,0|2,0,1]=4 753 B4R0.2 ClCCCI MCULE-1521526833 [1,0,0,0,0,0|2,0,1]=4 754 B4R0.2 FCCCBr MCULE-5674735753 [1,0,0,0,0,0|2,0,1]=4 755 B4R0.2 FCCCF MCULE-1803511350 [1,0,0,0,0,0|2,0,1]=4 756 B4R0.2 FCCCI MCULE-9287814857 [1,0,0,0,0,0|2,0,1]=4 757 B4R0.2 ICCCI MCULE-9849754168 [1,0,0,0,0,0|2,0,1]=4 758 B4R0.2 N#CCCBr MCULE-1744180602 [1,0,0,0,0,0|2,0,1]=4 759 B4R0.2 N#CCCCl MCULE-3511379481 [1,0,0,0,0,0|2,0,1]=4 760 B4R0.2 N#CCCI MCULE-1591942951 [1,0,0,0,0,0|2,0,1]=4 761 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|2,0,1]=4 762 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|2,0,1]=4 763 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|1,0,1]=3 764 B4R0.2 N#CCCS MCULE-7199964466 [1,0,0,0,0,0|1,1,1]=4 765 B4R0.2 N#CCNO MCULE-6808474875 [1,0,0,0,0,0|2,0,1]=4 766 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|1,0,2]=4 767 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|1,0,2]=4 768 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|2,0,1]=4 769 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|2,0,1]=4 770 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|2,0,1]=4 771 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|2,0,1]=4 772 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|2,0,1]=4 773 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|2,0,1]=4 774 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|2,0,1]=4 775 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|2,0,1]=4 776 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,1]=4 777 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,1]=4 778 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,1]=4 779 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,1]=4 780 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,1]=4 781 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,1]=4 782 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|1,0,1]=3 783 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|1,0,1]=3 784 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|1,1,1]=4 785 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|1,1,1]=4 786 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|3,0,0]=4 787 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|3,0,0]=4 788 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|3,0,0]=4 789 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|3,0,0]=4 790 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|3,0,0]=4 791 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|2,0,0]=3 792 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|3,0,0]=4 793 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|3,0,0]=4 794 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|3,0,0]=4 795 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|3,0,0]=4 796 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|3,0,0]=4 797 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|2,0,0]=3 798 B4R0.2 O=C=NCCl MCULE-7751104052 [1,0,0,0,0,0|2,0,1]=4 799 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|1,0,0]=2 800 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|1,0,0]=2 801 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|1,0,0]=2 802 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|0,0,0]=1 803 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|1,0,2]=4 804 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|1,0,2]=4 805 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|1,0,2]=4 806 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|1,0,2]=4 807 B4R0.2 OCC#CBr MCULE-2495653455 [1,0,0,0,0,0|1,0,2]=4 808 B4R0.2 OCC#CI MCULE-1101149708 [1,0,0,0,0,0|1,0,2]=4 809 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|1,0,1]=3 810 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|1,0,1]=3 811 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|1,0,1]=3 812 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|1,0,1]=3 813 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|1,0,1]=3 814 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|1,0,1]=3 815 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|0,0,2]=3 816 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|0,1,1]=3 817 B4R0.2 PCCCP MCULE-6048146071 [1,0,0,0,0,0|2,0,1]=4 818 B4R0.2 SCCCBr MCULE-4627341228 [1,0,0,0,0,0|1,1,1]=4 819 B4R0.2 SCCCCl MCULE-6410389127 [1,0,0,0,0,0|1,1,1]=4 820 B4R0.2 SCCCS MCULE-8220630729 [1,0,0,0,0,0|0,2,1]=4 821 B6R0.1 C#CC(N)COC MCULE-7083913188 [0,1,0,0,0,0|2,0,1]=4 822 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,1,0,0,0,0|2,0,1]=4 823 B6R0.1 C#CCC(C)CO MCULE-6139260605 [0,1,0,0,0,0|2,0,1]=4 824 B6R0.1 C#CCC(N)CO MCULE-5669035635 [0,1,0,0,0,0|2,0,1]=4 825 B6R0.1 C#CCC(O)CC MCULE-8783941008 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [0,1,0,0,0,0|2,0,1]=4 828 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [0,1,0,0,0,0|2,0,1]=4 829 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [0,1,0,0,0,0|2,0,1]=4 830 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,1,0,0,0,0|2,0,0]=3 831 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|1,0,2]=4 832 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,1,0,0,0,0|1,0,2]=4 833 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,1,0,0,0,0|3,0,0]=4 834 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,1,0,0,0,0|2,0,0]=3 835 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,1,0,0,0,0|2,0,0]=3 836 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,1,0,0,0,0|2,0,0]=3 837 B6R0.1 C=CC(O)CC#N MCULE-2128554895 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,0,0,0,0|2,0,0]=3 839 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,1,0,0,0,0|2,0,0]=3 841 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,1,0,0,0,0|3,0,0]=4 842 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,1,0,0,0,0|3,0,0]=4 844 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,1,0,0,0,0|3,0,0]=4 845 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,1,0,0,0,0|2,0,0]=3 848 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [0,1,0,0,0,0|2,0,0]=3 850 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,1,0,0,0,0|2,0,0]=3 851 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,1,0,0,0,0|2,0,0]=3 852 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,1,0,0,0,0|2,0,0]=3 853 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,1,0,0,0,0|2,0,0]=3 854 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,1,0,0,0,0|2,0,0]=3 855 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,1,0,0,0,0|2,0,0]=3 856 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,1,0,0,0,0|2,0,0]=3 857 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,1,0,0,0,0|2,0,0]=3 859 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,1,0,0,0,0|2,0,0]=3 860 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,1,0,0,0,0|2,0,0]=3 861 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,1,0,0,0,0|2,0,0]=3 862 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,1,0,0,0,0|2,0,0]=3 863 B6R0.1 C=C[C@@H](O)CC#N MCULE-7370913372 [0,1,0,0,0,0|2,0,0]=3 864 B6R0.1 CC#CC(O)CC MCULE-9870271888 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,1,0,0,0,0|2,0,1]=4 866 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,1,0,0,0,0|2,0,1]=4 867 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,1,0,0,0,0|2,0,1]=4 868 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,1,0,0,0,0|1,0,2]=4 869 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,1,0,0,0,0|1,0,2]=4 870 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|2,0,1]=4 871 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,1,0,0,0,0|2,0,0]=3 872 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,1,0,0,0,0|2,0,0]=3 873 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.1 CCC(Br)COC MCULE-7942540965 [0,1,0,0,0,0|2,0,1]=4 876 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,1,0,0,0,0|2,0,1]=4 877 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,1,0,0,0,0|2,0,0]=3 878 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,1,0,0,0,0|2,0,1]=4 879 B6R0.1 CCC(C)CON MCULE-7033012303 [0,1,0,0,0,0|2,0,1]=4 880 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [0,1,0,0,0,0|2,0,1]=4 881 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,1,0,0,0,0|2,0,0]=3 882 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,1,0,0,0,0|2,0,0]=3 883 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,1,0,0,0,0|2,0,1]=4 884 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,1,0,0,0,0|2,0,1]=4 885 B6R0.1 CCC(N)COC MCULE-2103613859 [0,1,0,0,0,0|2,0,1]=4 886 B6R0.1 CCC(N)COC MCULE-5835446359 [0,1,0,0,0,0|2,0,1]=4 887 B6R0.1 CCC(O)CC#N MCULE-2542710031 [0,1,0,0,0,0|2,0,1]=4 888 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,1,0,0,0,0|2,0,1]=4 889 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,1,0,0,0,0|1,0,1]=3 890 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,1,0,0,0,0|2,0,1]=4 891 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,1,0,0,0,0|2,0,1]=4 892 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,1,0,0,0,0|2,0,1]=4 893 B6R0.1 CCC(O)COC MCULE-6751000060 [0,1,0,0,0,0|1,0,1]=3 894 B6R0.1 CCC(O)CSC MCULE-3582683720 [0,1,0,0,0,0|1,1,1]=4 895 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,1,0,0,0,0|1,1,1]=4 896 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|2,0,1]=4 897 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,1,0,0,0,0|2,0,0]=3 898 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,1,0,0,0,0|2,0,1]=4 899 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,0,0,0,0|2,0,1]=4 900 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,0,0,0,0|2,0,1]=4 901 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,0,0,0,0|2,0,1]=4 902 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,0,0,0,0|2,0,1]=4 903 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,1,0,0,0,0|2,0,1]=4 904 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,0,0,0,0|2,0,1]=4 905 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,1,0,0,0,0|2,0,1]=4 906 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,1,0,0,0,0|2,0,1]=4 907 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,0,0,0,0|2,0,1]=4 908 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,1,0,0,0,0|1,0,1]=3 909 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,0,0,0,0|2,0,1]=4 910 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,0,0,0,0|2,0,1]=4 911 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,0,0,0,0|2,0,1]=4 912 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,1,0,0,0,0|2,0,1]=4 913 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,0,0,0,0|2,0,1]=4 914 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,0,0,0,0|2,0,1]=4 915 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,0,0,0,0|2,0,1]=4 916 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,0,0,0,0|2,0,1]=4 917 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,1,0,0,0,0|2,0,1]=4 918 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,1,0,0,0,0|2,0,1]=4 919 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,1,0,0,0,0|2,0,1]=4 920 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,1,0,0,0,0|2,0,1]=4 921 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|1,0,2]=4 922 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,1,0,0,0,0|2,0,1]=4 923 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,1,0,0,0,0|2,0,1]=4 924 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,1,0,0,0,0|2,0,1]=4 925 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,1,0,0,0,0|2,0,1]=4 926 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,1,0,0,0,0|2,0,1]=4 927 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [0,1,0,0,0,0|2,0,1]=4 928 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [0,1,0,0,0,0|2,0,1]=4 929 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,1,0,0,0,0|2,0,1]=4 930 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,1,0,0,0,0|2,0,1]=4 931 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,1,0,0,0,0|2,0,1]=4 933 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,1,0,0,0,0|2,0,1]=4 934 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,1,0,0,0,0|2,0,1]=4 935 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,1,0,0,0,0|2,0,0]=3 936 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,1,0,0,0,0|3,0,0]=4 937 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,1,0,0,0,0|3,0,0]=4 938 B6R0.1 CNC(C)COC MCULE-6864731576 [0,1,0,0,0,0|3,0,0]=4 939 B6R0.1 CNC(C)COC MCULE-9135013355 [0,1,0,0,0,0|3,0,0]=4 940 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,1,0,0,0,0|2,0,1]=4 941 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,1,0,0,0,0|2,0,1]=4 942 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,1,0,0,0,0|2,0,1]=4 943 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,1,0,0,0,0|1,0,1]=3 944 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,1,0,0,0,0|1,0,1]=3 945 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,1,0,0,0,0|3,0,0]=4 946 B6R0.1 COC(C)CCO MCULE-7396381165 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.1 COCC(C)C#N MCULE-2978497753 [0,1,0,0,0,0|2,0,1]=4 948 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,1,0,0,0,0|1,0,0]=2 949 B6R0.1 COCC(C)CN MCULE-3223901774 [0,1,0,0,0,0|2,0,1]=4 950 B6R0.1 COCC(C)CO MCULE-7663064542 [0,1,0,0,0,0|1,0,2]=4 951 B6R0.1 COCC(C)OC MCULE-1583498700 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.1 COCC(Cl)C#N MCULE-3128136686 [0,1,0,0,0,0|2,0,1]=4 953 B6R0.1 COCC(F)CN MCULE-2821685967 [0,1,0,0,0,0|2,0,1]=4 954 B6R0.1 COCC(F)CN MCULE-9691951401 [0,1,0,0,0,0|2,0,1]=4 955 B6R0.1 COCC(N)C#N MCULE-4816557518 [0,1,0,0,0,0|2,0,1]=4 956 B6R0.1 COCC(N)CN MCULE-1244199319 [0,1,0,0,0,0|2,0,1]=4 957 B6R0.1 COCC(N)CO MCULE-2141613120 [0,1,0,0,0,0|1,0,2]=4 958 B6R0.1 COCC(N)CO MCULE-3194232042 [0,1,0,0,0,0|1,0,2]=4 959 B6R0.1 COCC(N)CO MCULE-6545937769 [0,1,0,0,0,0|1,0,2]=4 960 B6R0.1 COCC(N)CO MCULE-7989665777 [0,1,0,0,0,0|1,0,2]=4 961 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,1,0,0,0,0|1,0,1]=3 962 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,1,0,0,0,0|1,0,1]=3 963 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,1,0,0,0,0|1,0,1]=3 964 B6R0.1 COCC(O)CF MCULE-1938415887 [0,1,0,0,0,0|1,0,1]=3 965 B6R0.1 COCC(O)CN MCULE-2044547388 [0,1,0,0,0,0|1,0,1]=3 966 B6R0.1 COCC(O)CN MCULE-2145726384 [0,1,0,0,0,0|1,0,1]=3 967 B6R0.1 COCC(O)CN MCULE-3637597204 [0,1,0,0,0,0|1,0,1]=3 968 B6R0.1 COCC(O)CO MCULE-1154104224 [0,1,0,0,0,0|0,0,2]=3 969 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,1,0,0,0,0|1,0,2]=4 970 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,1,0,0,0,0|1,0,2]=4 971 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,1,0,0,0,0|1,0,2]=4 972 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,1,0,0,0,0|1,0,2]=4 973 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,1,0,0,0,0|1,0,1]=3 974 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,1,0,0,0,0|1,0,1]=3 975 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,1,0,0,0,0|1,0,1]=3 976 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,1,0,0,0,0|1,0,2]=4 977 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,1,0,0,0,0|2,0,1]=4 978 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,1,0,0,0,0|1,0,2]=4 979 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,1,0,0,0,0|1,0,2]=4 980 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,1,0,0,0,0|1,0,2]=4 981 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,1,0,0,0,0|1,0,2]=4 982 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,1,0,0,0,0|1,0,1]=3 983 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,1,0,0,0,0|1,0,1]=3 984 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.1 CSCC(C)CO MCULE-3842820579 [0,1,0,0,0,0|1,1,1]=4 987 B6R0.1 CSCC(O)CO MCULE-6573013078 [0,1,0,0,0,0|0,1,1]=3 988 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,1,0,0,0,0|2,0,1]=4 989 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,1,0,0,0,0|2,0,1]=4 990 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,1,0,0,0,0|1,0,2]=4 991 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,1,0,0,0,0|1,0,2]=4 992 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,1,0,0,0,0|1,0,2]=4 993 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [0,1,0,0,0,0|2,0,1]=4 994 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [0,1,0,0,0,0|2,0,1]=4 995 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [0,1,0,0,0,0|2,0,1]=4 996 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [0,1,0,0,0,0|2,0,1]=4 997 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [0,1,0,0,0,0|2,0,1]=4 998 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [0,1,0,0,0,0|2,0,1]=4 999 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,1,0,0,0,0|2,0,1]=4 1000 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,1,0,0,0,0|1,0,2]=4 1001 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,1,0,0,0,0|1,0,2]=4 1002 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,1,0,0,0,0|2,0,1]=4 1003 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,1,0,0,0,0|2,0,1]=4 1004 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,1,0,0,0,0|1,0,1]=3 1005 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,1,0,0,0,0|1,0,2]=4 1006 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,1,0,0,0,0|1,0,2]=4 1007 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,1,0,0,0,0|1,0,2]=4 1008 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,1,0,0,0,0|1,0,2]=4 1009 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,1,0,0,0,0|1,0,0]=2 1010 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,1,0,0,0,0|2,0,1]=4 1011 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,1,0,0,0,0|2,0,1]=4 1012 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,1,0,0,0,0|1,0,1]=3 1013 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,1,0,0,0,0|0,0,2]=3 1014 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,1,0,0,0,0|1,0,2]=4 1015 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,1,0,0,0,0|0,0,2]=3 1016 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,1,0,0,0,0|0,0,2]=3 1017 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,1,0,0,0,0|1,0,1]=3 1018 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,1,0,0,0,0|1,0,1]=3 1019 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,1,0,0,0,0|1,0,1]=3 1020 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,1,0,0,0,0|0,0,2]=3 1021 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,1,0,0,0,0|0,0,2]=3 1022 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,1,0,0,0,0|2,0,1]=4 1023 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,1,0,0,0,0|2,0,1]=4 1024 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,1,0,0,0,0|2,0,1]=4 1025 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,1]=3 1026 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [0,1,0,0,0,0|2,0,1]=4 1027 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [0,1,0,0,0,0|2,0,1]=4 1028 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [0,1,0,0,0,0|2,0,1]=4 1029 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|3,0,0]=4 1030 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|1,0,0]=2 1031 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|1,0,0]=2 1032 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|1,0,2]=4 1033 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|3,0,0]=4 1034 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|2,0,1]=4 1035 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|2,0,1]=4 1036 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,1]=3 1037 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,1,0,0,0,0|3,0,0]=4 1038 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,1,0,0,0,0|3,0,0]=4 1039 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,1,0,0,0,0|3,0,0]=4 1040 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|2,0,1]=4 1041 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [0,1,0,0,0,0|3,0,0]=4 1042 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,1,0,0,0,0|2,0,0]=3 1043 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|2,0,1]=4 1044 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,1]=3 1048 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,1,0,0,0,0|2,0,0]=3 1049 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|2,0,1]=4 1050 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,1,0,0,0,0|2,0,0]=3 1051 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,1,0,0,0,0|2,0,0]=3 1052 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,1,0,0,0,0|2,0,0]=3 1053 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|2,0,1]=4 1055 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|2,0,1]=4 1056 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|2,0,1]=4 1057 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|2,0,1]=4 1058 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|2,0,1]=4 1059 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,1,0,0,0,0|2,0,0]=3 1060 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,1,0,0,0,0|2,0,0]=3 1061 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,1,0,0,0,0|2,0,0]=3 1062 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|2,0,1]=4 1063 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|2,0,1]=4 1064 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|2,0,1]=4 1065 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|2,0,1]=4 1066 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|2,0,1]=4 1067 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,1,0,0,0,0|2,0,1]=4 1068 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|2,0,1]=4 1069 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|2,0,1]=4 1070 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|2,0,1]=4 1071 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|2,0,1]=4 1072 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|2,0,1]=4 1073 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|1,0,2]=4 1074 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|1,0,2]=4 1075 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|1,0,2]=4 1076 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|2,0,1]=4 1077 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|1,0,2]=4 1078 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|1,0,0]=2 1079 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|2,0,1]=4 1080 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|1,0,0]=2 1081 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|1,0,0]=2 1082 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [0,1,0,0,0,0|2,0,1]=4 1083 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,1,0,0,0,0|2,0,1]=4 1084 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|2,0,1]=4 1085 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [0,1,0,0,0,0|2,0,0]=3 1086 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,1,0,0,0,0|2,0,1]=4 1087 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,1,0,0,0,0|2,0,1]=4 1088 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,1,0,0,0,0|2,0,1]=4 1089 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,1,0,0,0,0|2,0,1]=4 1090 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [0,1,0,0,0,0|2,0,1]=4 1091 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,1,0,0,0,0|2,0,1]=4 1092 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,1,0,0,0,0|2,0,1]=4 1093 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,1,0,0,0,0|2,0,1]=4 1094 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,1,0,0,0,0|2,0,1]=4 1095 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,1,0,0,0,0|1,0,1]=3 1096 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,1,0,0,0,0|1,1,1]=4 1097 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,1,0,0,0,0|2,0,1]=4 1098 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,1,0,0,0,0|2,0,1]=4 1099 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,1,0,0,0,0|2,0,1]=4 1100 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,1,0,0,0,0|2,0,1]=4 1101 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,1,0,0,0,0|2,0,1]=4 1102 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [0,1,0,0,0,0|2,0,0]=3 1103 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,1,0,0,0,0|2,0,1]=4 1104 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,1,0,0,0,0|2,0,1]=4 1105 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,1,0,0,0,0|2,0,1]=4 1106 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,1,0,0,0,0|2,0,1]=4 1107 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|2,0,0]=3 1108 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|2,0,0]=3 1109 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|2,0,0]=3 1110 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|2,0,0]=3 1111 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,1,0,0,0,0|3,0,0]=4 1112 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,0]=2 1113 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|1,0,0]=2 1114 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|2,0,0]=3 1115 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,1,0,0,0,0|3,0,0]=4 1116 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,1,0,0,0,0|3,0,0]=4 1117 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,1,0]=3 1118 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,1,0,0,0,0|2,0,1]=4 1119 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,1,0,0,0,0|2,0,1]=4 1120 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,1,0,0,0,0|1,0,1]=3 1121 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,1,0,0,0,0|2,0,1]=4 1122 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|2,0,1]=4 1123 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|1,0,2]=4 1124 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|2,0,1]=4 1125 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|2,0,1]=4 1126 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|1,0,2]=4 1127 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|1,0,1]=3 1128 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|0,0,2]=3 1129 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|3,0,0]=4 1130 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|3,0,0]=4 1131 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|3,0,0]=4 1132 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|3,0,0]=4 1133 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,1,0,0,0,0|1,1,1]=4 1134 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|1,0,2]=4 1135 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|1,0,2]=4 1136 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|1,0,2]=4 1137 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|1,0,2]=4 1138 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|2,0,0]=3 1139 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|2,0,0]=3 1140 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|2,0,0]=3 1141 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|2,0,0]=3 1142 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|2,0,0]=3 1143 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|3,0,0]=4 1144 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|3,0,0]=4 1145 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|2,0,0]=3 1146 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|2,0,0]=3 1147 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|2,0,0]=3 1148 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|2,0,0]=3 1149 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|2,0,0]=3 1150 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|2,1,0]=4 1151 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,0,0,0,0|2,0,1]=4 1152 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|2,0,0]=3 1153 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|2,0,0]=3 1154 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|2,0,0]=3 1155 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|2,0,0]=3 1156 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|2,0,0]=3 1157 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|2,0,0]=3 1158 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|2,0,0]=3 1159 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|2,0,0]=3 1160 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|2,0,0]=3 1161 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|2,0,0]=3 1162 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|2,0,0]=3 1163 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|2,0,0]=3 1164 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,0,0,0,0|2,0,1]=4 1165 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,0,0,0,0|2,0,1]=4 1166 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|1,0,0]=2 1167 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,0]=2 1168 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,0]=2 1169 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|1,0,0]=2 1170 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|1,0,0]=2 1171 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,1,0,0,0,0|2,0,1]=4 1172 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,1,0,0,0,0|2,0,1]=4 1173 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,0,0,0,0|1,0,1]=3 1174 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|1,1,0]=3 1175 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,1,0]=3 1176 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|3,0,0]=4 1177 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|3,0,0]=4 1178 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|3,0,0]=4 1179 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|2,0,0]=3 1180 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|2,0,0]=3 1181 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|2,0,0]=3 1182 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|2,0,0]=3 1183 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|2,0,0]=3 1184 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|2,0,0]=3 1185 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|2,0,0]=3 1186 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|2,0,0]=3 1187 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|2,0,0]=3 1188 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|2,0,0]=3 1189 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|2,0,0]=3 1190 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|2,0,0]=3 1191 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|2,0,0]=3 1192 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|2,0,0]=3 1193 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|2,0,0]=3 1194 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|2,0,0]=3 1195 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|2,0,0]=3 1196 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,0,0,0,0|2,0,1]=4 1197 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,0,0,0,0|2,0,1]=4 1198 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,0]=2 1199 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,0]=2 1200 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,1,0,0,0,0|2,0,1]=4 1201 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|2,0,0]=3 1202 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|2,0,0]=3 1203 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|2,0,0]=3 1204 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|2,0,0]=3 1205 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|2,0,0]=3 1206 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|2,0,0]=3 1207 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|2,0,0]=3 1208 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|2,0,0]=3 1209 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|2,0,0]=3 1210 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|2,0,0]=3 1211 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|2,0,0]=3 1212 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|2,0,0]=3 1214 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|2,0,1]=4 1215 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,0,0,0,0|2,0,1]=4 1217 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,0,0,0,0|2,0,1]=4 1218 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,0,0,0,0|2,0,1]=4 1221 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,0,0,0,0|2,0,1]=4 1222 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,0]=2 1223 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,0]=2 1224 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|1,0,0]=2 1225 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,1,0,0,0,0|2,0,1]=4 1226 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|3,0,0]=4 1227 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|3,0,0]=4 1228 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|3,0,0]=4 1229 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|3,0,0]=4 1230 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|3,0,0]=4 1231 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|3,0,0]=4 1232 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|3,0,0]=4 1233 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|3,0,0]=4 1234 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|3,0,0]=4 1235 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|3,0,0]=4 1236 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|3,0,0]=4 1237 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|3,0,0]=4 1238 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|3,0,0]=4 1239 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|3,0,0]=4 1240 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|3,0,0]=4 1241 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|3,0,0]=4 1242 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|3,0,0]=4 1243 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|3,0,0]=4 1244 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,1,0,0,0,0|3,0,0]=4 1245 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|3,0,0]=4 1246 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|3,0,0]=4 1247 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|3,0,0]=4 1248 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|3,0,0]=4 1249 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|3,0,0]=4 1250 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|3,0,0]=4 1251 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|3,0,0]=4 1252 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,1,0,0,0,0|3,0,0]=4 1253 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|2,0,0]=3 1254 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|2,0,0]=3 1255 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|2,0,0]=3 1256 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|2,0,0]=3 1257 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,0]=2 1258 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,0]=2 1259 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,1,0,0,0,0|3,0,0]=4 1260 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|1,0,2]=4 1261 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|1,0,2]=4 1262 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|1,0,2]=4 1263 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|1,0,2]=4 1264 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|1,0,2]=4 1265 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|1,0,2]=4 1266 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|3,0,0]=4 1267 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|3,0,0]=4 1268 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|2,0,0]=3 1269 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|2,0,0]=3 1270 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|2,0,0]=3 1271 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|2,0,0]=3 1272 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,0]=2 1273 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,0]=2 1274 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|1,0,0]=2 1275 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|1,0,2]=4 1276 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|1,0,2]=4 1277 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|1,0,2]=4 1278 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|1,0,2]=4 1279 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|1,0,2]=4 1280 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|3,0,0]=4 1281 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|3,0,0]=4 1282 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,1,0,0,0,0|2,0,1]=4 1283 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|2,0,1]=4 1284 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,0,0,0,0|2,0,1]=4 1285 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|2,0,0]=3 1286 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|2,0,0]=3 1287 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|1,0,0]=2 1288 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|1,0,0]=2 1289 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|1,1,0]=3 1290 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|1,1,0]=3 1291 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|1,0,0]=2 1292 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|1,0,0]=2 1293 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|1,0,0]=2 1294 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|1,1,0]=3 1295 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|1,0,0]=2 1296 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|1,0,0]=2 1297 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|1,0,0]=2 1298 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|1,0,0]=2 1299 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|2,0,0]=3 1300 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|2,0,0]=3 1301 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|2,0,0]=3 1302 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|2,0,0]=3 1303 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,0,0]=2 1304 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,0,0]=2 1305 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,1,0]=3 1306 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,1,0]=3 1307 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,1,0]=3 1308 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,1,0]=3 1309 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|2,0,0]=3 1310 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|2,0,0]=3 1311 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|2,0,0]=3 1312 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|2,0,0]=3 1313 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|2,0,0]=3 1314 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|2,0,0]=3 1315 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|2,0,0]=3 1316 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|2,0,0]=3 1317 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|2,0,0]=3 1318 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|1,0,0]=2 1319 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|1,0,0]=2 1320 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,0]=2 1321 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,0]=2 1322 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,1,0,0,0,0|2,0,1]=4 1323 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,1,0,0,0,0|2,0,1]=4 1324 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|2,0,0]=3 1325 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|2,0,0]=3 1326 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|2,0,0]=3 1327 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|2,0,0]=3 1328 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|2,0,0]=3 1329 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|2,0,0]=3 1330 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|2,0,0]=3 1331 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,0]=2 1332 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,0]=2 1333 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|2,0,0]=3 1334 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|2,0,0]=3 1335 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|2,0,0]=3 1336 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|2,0,0]=3 1337 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|2,0,0]=3 1338 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|2,0,0]=3 1339 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|2,0,0]=3 1340 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|2,0,0]=3 1341 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|2,0,0]=3 1342 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|2,0,0]=3 1343 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,0]=2 1344 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,0]=2 1345 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|2,0,0]=3 1346 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|2,0,0]=3 1347 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|2,0,0]=3 1348 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|2,0,0]=3 1349 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,0,0]=2 1350 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,0,0]=2 1351 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,0,0]=2 1352 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,0,0]=2 1353 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,1,0]=3 1354 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,1,0]=3 1355 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,1,0]=3 1356 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,1,0]=3 1357 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|2,0,0]=3 1358 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|2,0,0]=3 1359 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|2,0,0]=3 1360 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|2,0,0]=3 1361 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|2,0,0]=3 1362 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|2,0,0]=3 1363 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,0,0]=2 1364 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,0,0]=2 1365 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,1,0]=3 1366 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,1,0]=3 1367 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,1,0]=3 1368 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,1,0]=3 1369 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|1,0,2]=4 1370 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|2,0,0]=3 1371 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|2,0,0]=3 1372 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|1,0,2]=4 1373 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|1,0,2]=4 1374 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|1,0,2]=4 1375 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|0,0,2]=3 1376 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|0,1,2]=4 1377 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|2,0,0]=3 1378 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|2,0,0]=3 1379 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,0]=2 1380 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|2,0,0]=3 1381 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,0]=2 1382 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|2,0,0]=3 1383 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,0]=2 1384 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,0]=2 1385 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|0,0,0]=1 1386 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,0]=2 1387 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,0]=2 1388 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,0]=2 1389 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|0,0,0]=1 1390 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|0,0,0]=1 1391 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,0]=2 1392 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,0]=2 1393 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,0]=2 1394 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|1,0,2]=4 1395 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|0,1,2]=4 1396 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|0,0,0]=1 1397 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|2,0,0]=3 1398 B6R0.3 OC(CBr)C(F)F MCULE-2512834773 [0,1,0,0,0,0|2,0,1]=4 1399 B6R0.3 OCC(=C(F)F)F MCULE-9266336086 [0,1,0,0,0,0|2,0,1]=4 1400 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,1,0,0,0,0|1,0,1]=3 1401 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,1,0,0,0,0|1,0,1]=3 1402 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|2,0,1]=4 1403 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|2,0,0]=3 1404 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|3,0,0]=4 1405 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|1,0,0]=2 1406 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,1,0]=3 1407 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,1,0]=3 1408 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [0,1,0,0,0,0|2,0,1]=4 1409 B6R0.8 C#CC(C)(O)C=C MCULE-9590615335 [0,1,0,0,0,0|2,0,1]=4 1410 B6R0.8 C#CC(C)(O)CC MCULE-6936841705 [0,1,0,0,0,0|2,0,1]=4 1411 B6R0.8 C=CC(C)(C)CN MCULE-8097307618 [0,1,0,0,0,0|3,0,0]=4 1412 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [0,1,0,0,0,0|2,0,0]=3 1413 B6R0.8 C=CC(C)(O)CBr MCULE-8151064620 [0,1,0,0,0,0|2,0,0]=3 1414 B6R0.8 C=CC(C)(O)CC MCULE-7004958709 [0,1,0,0,0,0|2,0,0]=3 1415 B6R0.8 C=CC(C)(O)CN MCULE-2921164232 [0,1,0,0,0,0|2,0,0]=3 1416 B6R0.8 C=CC(F)(F)CO MCULE-9070059513 [0,1,0,0,0,0|2,0,0]=3 1417 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [0,1,0,0,0,0|2,0,1]=4 1418 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [0,1,0,0,0,0|2,0,0]=3 1419 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [0,1,0,0,0,0|2,0,0]=3 1420 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [0,1,0,0,0,0|2,0,0]=3 1421 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,1,0,0,0,0|1,0,0]=2 1422 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,1,0,0,0,0|2,0,1]=4 1423 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [0,1,0,0,0,0|2,0,1]=4 1424 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [0,1,0,0,0,0|2,0,1]=4 1425 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [0,1,0,0,0,0|2,0,1]=4 1426 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [0,1,0,0,0,0|1,0,2]=4 1427 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [0,1,0,0,0,0|1,1,1]=4 1428 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,1,0,0,0,0|3,0,0]=4 1429 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,1,0,0,0,0|3,0,0]=4 1430 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [0,1,0,0,0,0|1,0,2]=4 1431 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [0,1,0,0,0,0|2,0,1]=4 1432 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [0,1,0,0,0,0|1,0,2]=4 1433 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,1,0,0,0,0|1,0,1]=3 1434 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [0,1,0,0,0,0|0,0,2]=3 1435 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [0,1,0,0,0,0|2,0,0]=3 1436 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [0,1,0,0,0,0|2,0,0]=3 1437 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [0,1,0,0,0,0|2,0,1]=4 1438 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [0,1,0,0,0,0|2,0,1]=4 1439 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [0,1,0,0,0,0|2,0,1]=4 1440 B6R0.8 CCC(C)(O)C#N MCULE-9698927439 [0,1,0,0,0,0|2,0,1]=4 1441 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [0,1,0,0,0,0|2,0,1]=4 1442 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,1,0,0,0,0|2,0,1]=4 1443 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [0,1,0,0,0,0|1,0,1]=3 1444 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [0,1,0,0,0,0|2,0,1]=4 1445 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [0,1,0,0,0,0|3,0,0]=4 1446 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [0,1,0,0,0,0|3,0,0]=4 1447 B6R0.8 COC(C)(C)CO MCULE-2208581417 [0,1,0,0,0,0|3,0,0]=4 1448 B6R0.8 CSC(C)(C)C=O MCULE-7777472638 [0,1,0,0,0,0|3,0,0]=4 1449 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [0,1,0,0,0,0|3,0,0]=4 1450 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [0,1,0,0,0,0|1,0,1]=3 1451 B6R0.8 NCC(F)(F)CO MCULE-1734067533 [0,1,0,0,0,0|2,0,1]=4 1452 B6R0.8 NCC(F)(F)CO MCULE-6456961834 [0,1,0,0,0,0|2,0,1]=4 1453 B6R0.8 O=CC(Br)(Br)CBr MCULE-3050482544 [0,1,0,0,0,0|2,0,0]=3 1454 B6R0.8 O=CC(O)(O)C=O MCULE-5955049749 [0,1,0,0,0,0|0,0,2]=3 1455 B6R0.8 OCC(F)(F)CO MCULE-8504062479 [0,1,0,0,0,0|1,0,2]=4 1456 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [0,1,0,0,0,0|2,0,1]=4 1457 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,1,0,0,0,0|2,0,0]=3 1458 B6R0.9 C=CC(OC)OC MCULE-7212819947 [0,1,0,0,0,0|3,0,0]=4 1459 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [0,1,0,0,0,0|2,0,1]=4 1460 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,1,0,0,0,0|2,0,0]=3 1461 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,1,0,0,0,0|2,0,1]=4 1462 B6R0.9 CCC(CC)CO MCULE-8799293985 [0,1,0,0,0,0|2,0,1]=4 1463 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,1,0,0,0,0|2,0,1]=4 1464 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,1,0,0,0,0|2,0,1]=4 1465 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,1,0,0,0,0|2,0,1]=4 1466 B6R0.9 CCC(CO)CO MCULE-5204077076 [0,1,0,0,0,0|1,0,1]=3 1467 B6R0.9 CCC(CO)NC MCULE-4151180539 [0,1,0,0,0,0|2,0,1]=4 1468 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,1,0,0,0,0|1,0,1]=3 1469 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,1,0,0,0,0|3,0,0]=4 1470 B6R0.9 CCN(C=O)CC MCULE-9053231156 [0,1,0,0,0,0|3,0,0]=4 1471 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [0,1,0,0,0,0|2,0,1]=4 1472 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,1,0,0,0,0|2,0,1]=4 1473 B6R0.9 CNC(CO)CO MCULE-9323859576 [0,1,0,0,0,0|2,0,0]=3 1474 B6R0.9 COC(C#N)CBr MCULE-7382241537 [0,1,0,0,0,0|2,0,1]=4 1475 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,1,0,0,0,0|2,0,0]=3 1476 B6R0.9 COC(CBr)OC MCULE-2277122528 [0,1,0,0,0,0|3,0,0]=4 1477 B6R0.9 COC(CCl)OC MCULE-2320305704 [0,1,0,0,0,0|3,0,0]=4 1478 B6R0.9 COC(CN)CN MCULE-3870266689 [0,1,0,0,0,0|2,0,1]=4 1479 B6R0.9 COC(CN)CO MCULE-2486586573 [0,1,0,0,0,0|1,0,1]=3 1480 B6R0.9 COC(CN)CO MCULE-3908535917 [0,1,0,0,0,0|1,0,1]=3 1481 B6R0.9 COC(CN)OC MCULE-1003844122 [0,1,0,0,0,0|3,0,0]=4 1482 B6R0.9 COC(CO)CBr MCULE-4957036064 [0,1,0,0,0,0|1,0,1]=3 1483 B6R0.9 COC(CO)CO MCULE-4778743592 [0,1,0,0,0,0|0,0,2]=3 1484 B6R0.9 COC(CO)OC MCULE-1980066235 [0,1,0,0,0,0|2,0,0]=3 1485 B6R0.9 COC(CS)OC MCULE-2408457054 [0,1,0,0,0,0|2,1,0]=4 1486 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,1,0,0,0,0|1,0,1]=3 1487 B6R0.9 O=CC(C=O)C=O MCULE-4159404366 [0,1,0,0,0,0|0,0,3]=4 1488 B6R0.9 OCC(=NO)CO MCULE-1131100831 [0,1,0,0,0,0|0,0,3]=4 1489 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [0,1,0,0,0,0|2,0,1]=4 1490 B6R0.9 OCC(CO)CO MCULE-7640074192 [0,1,0,0,0,0|0,0,2]=3 1491 B6R0.9 OCP(CO)CO MCULE-9792692156 [0,1,0,0,0,0|1,0,2]=4 1492 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,1,0,0|2,0,1]=4 1493 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,1,0,0|2,0,1]=4 1494 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,1,0,0|2,0,1]=4 1495 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,1,0,0|2,0,1]=4 1496 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,1,0,0|2,0,1]=4 1497 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,1,0,0|2,0,1]=4 1498 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,1,0,0|2,0,1]=4 1499 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|1,0,1]=3 1500 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,1,0,0|3,0,0]=4 1501 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,1,0,0|2,0,1]=4 1502 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,0,0,1,0,0|2,0,1]=4 1503 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,0,0,1,0,0|2,0,1]=4 1504 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,1,0,0|3,0,0]=4 1505 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,1,0,0|2,0,1]=4 1506 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,0,0,1,0,0|2,0,1]=4 1507 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,0,0,1,0,0|2,0,1]=4 1508 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,1,0,0|2,0,1]=4 1509 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,1,0,0|2,0,1]=4 1510 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,1,0,0|2,0,1]=4 1511 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,1,0,0|2,0,1]=4 1512 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,1,0,0|2,0,1]=4 1513 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,1,0,0|3,0,0]=4 1514 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,1,0,0|3,0,0]=4 1515 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,1,0,0|2,0,1]=4 1516 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,1,0,0|2,0,1]=4 1517 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,1,0,0|2,0,1]=4 1518 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,1,0,0|2,0,1]=4 1519 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,1,0,0|2,0,1]=4 1520 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,1,0,0|2,0,1]=4 1521 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,1,0,0|2,0,1]=4 1522 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,1,0,0|2,0,1]=4 1523 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,1,0,0|2,0,1]=4 1524 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,1,0,0|2,0,1]=4 1525 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,0,0,1,0,0|1,0,2]=4 1526 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,1,0,0|2,0,1]=4 1527 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|2,0,0]=3 1528 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,1,0,0|3,0,0]=4 1529 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,0,0,1,0,0|2,0,1]=4 1530 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,1,0,0|2,0,1]=4 1531 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,1,0,0|3,0,0]=4 1532 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,1,0,0|3,0,0]=4 1533 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,1,0,0|2,0,1]=4 1534 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,1,0,0|2,0,1]=4 1535 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|1,0,1]=3 1536 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,1,0,0|1,1,1]=4 1537 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,0,0,1,0,0|1,0,1]=3 1538 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,0,0,1,0,0|1,0,1]=3 1539 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,0,0,1,0,0|1,0,1]=3 1540 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,0,0,1,0,0|1,0,1]=3 1541 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,1,0,0|2,0,1]=4 1542 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,1,0,0|2,0,1]=4 1543 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,1,0,0|2,0,1]=4 1544 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,1,0,0|2,0,1]=4 1545 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|1,0,1]=3 1546 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|1,0,1]=3 1547 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|1,0,1]=3 1548 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,1,0,0|1,1,1]=4 1549 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,1,0,0|1,1,1]=4 1550 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,0,0,1,0,0|1,0,1]=3 1551 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,0,0,1,0,0|1,0,1]=3 1552 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,0,0,1,0,0|1,0,1]=3 1553 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,0,0,1,0,0|1,0,1]=3 1554 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,1,0,0|2,0,1]=4 1555 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,1,0,0|2,0,1]=4 1556 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,1,0,0|2,0,1]=4 1557 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,1,0,0|2,0,1]=4 1558 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|1,0,1]=3 1559 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|1,0,1]=3 1560 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,0,0,1,0,0|1,0,1]=3 1561 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,0,0,1,0,0|1,0,1]=3 1562 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,0,0,1,0,0|1,0,1]=3 1563 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,0,0,1,0,0|1,0,1]=3 1564 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,1,0,0|1,1,1]=4 1565 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,1,0,0|2,0,0]=3 1566 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,1,0,0|2,0,1]=4 1567 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,1,0,0|2,0,0]=3 1568 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|1,0,0]=2 1569 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,1,0,0|2,0,1]=4 1570 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,1,0,0|2,0,1]=4 1571 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,0,0|3,0,0]=4 1572 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,1,0,0|1,0,1]=3 1573 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,1,0,0|2,0,1]=4 1574 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,1,0,0|2,0,1]=4 1575 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,1,0,0|2,0,1]=4 1576 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,1,0,0|2,0,1]=4 1577 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,1,0,0|2,0,1]=4 1578 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,1,0,0|2,0,1]=4 1579 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,1,0,0|2,0,1]=4 1580 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,1,0,0|2,0,1]=4 1581 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,1,0,0|2,0,1]=4 1582 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,1,0,0|2,0,1]=4 1583 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,1,0,0|2,0,1]=4 1584 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,1,0,0|2,0,1]=4 1585 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,1,0,0|2,0,1]=4 1586 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,1,0,0|2,0,1]=4 1587 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,1,0,0|2,0,1]=4 1588 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,1,0,0|2,0,1]=4 1589 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,0,0|2,0,0]=3 1590 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,0,0|2,0,0]=3 1591 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,1,0,0|2,0,1]=4 1592 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,1,0,0|2,0,1]=4 1593 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,1,0,0|2,0,0]=3 1594 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,1,0,0|2,0,0]=3 1595 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,1,0,0|2,0,0]=3 1596 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|1,0,0]=2 1597 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,0,0|3,0,0]=4 1598 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,0,0|3,0,0]=4 1599 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,1,0,0|2,0,1]=4 1600 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,1,0,0|2,0,1]=4 1601 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,1,0,0|2,0,1]=4 1602 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,1,0,0|2,0,1]=4 1603 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,1,0,0|2,0,1]=4 1604 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,1,0,0|2,0,1]=4 1605 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,1,0,0|2,0,1]=4 1606 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,1,0,0|2,0,1]=4 1607 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,1,0,0|2,0,0]=3 1608 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,1,0,0|2,0,0]=3 1609 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,1,0,0|2,0,0]=3 1610 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,1,0,0|2,0,0]=3 1611 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,0,0|1,0,0]=2 1612 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|1,0,0]=2 1613 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,1,0,0|2,0,1]=4 1614 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,1,0,0|2,0,1]=4 1615 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,1,0,0|2,0,1]=4 1616 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,1,0,0|2,0,1]=4 1617 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,1,0,0|2,0,1]=4 1618 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,1,0,0|2,0,1]=4 1619 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,1,0,0|2,0,0]=3 1620 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,1,0,0|2,0,0]=3 1621 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,1,0,0|2,0,0]=3 1622 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,1,0,0|2,0,0]=3 1623 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|1,0,0]=2 1624 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,1,0,0|2,0,0]=3 1625 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,1,0,0|2,0,0]=3 1626 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,0,0|1,0,0]=2 1627 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,1,0,0|2,0,0]=3 1628 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,1,0,0|1,0,1]=3 1629 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,1,0,0|1,0,1]=3 1630 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,1,0,0|1,0,1]=3 1631 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,1,0,0|1,0,1]=3 1632 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|1,0,0]=2 1633 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,0,0,1,0,0|2,0,1]=4 1634 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,0,0,1,0,0|2,0,1]=4 1635 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,0,0,1,0,0|2,0,1]=4 1636 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,0,0,1,0,0|2,0,1]=4 1637 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,0,0,1,0,0|2,0,1]=4 1638 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,0,0,1,0,0|2,0,1]=4 1639 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,0,0,1,0,0|2,0,1]=4 1640 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,0,0,1,0,0|2,0,1]=4 1641 B6R1.6 C=CC1CNC1 MCULE-9929515921 [0,0,0,1,0,0|3,0,0]=4 1642 B6R1.6 CNC1COC1 MCULE-2040978636 [0,0,0,1,0,0|3,0,0]=4 1643 B6R1.6 CNC1COC1 MCULE-3130259264 [0,0,0,1,0,0|3,0,0]=4 1644 B6R1.6 CNC1COC1 MCULE-4618612030 [0,0,0,1,0,0|3,0,0]=4 1645 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,0,0,1,0,0|2,0,1]=4 1646 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,0,0,1,0,0|2,0,1]=4 1647 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,0,0,1,0,0|2,0,1]=4 1648 B6R1.6 ICC1COC1 MCULE-6325029437 [0,0,0,1,0,0|2,0,1]=4 1649 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,0,0,1,0,0|2,0,1]=4 1650 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,0,0,1,0,0|2,0,1]=4 1651 B6R1.6 NCC1COC1 MCULE-4685637013 [0,0,0,1,0,0|2,0,1]=4 1652 B6R1.6 NCC1COC1 MCULE-6896653344 [0,0,0,1,0,0|2,0,1]=4 1653 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,0,0,1,0,0|2,0,1]=4 1654 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,0,0,1,0,0|2,0,1]=4 1655 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,0,0,1,0,0|2,0,1]=4 1656 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,0,0,1,0,0|2,0,1]=4 1657 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,0,0,1,0,0|2,0,1]=4 1658 B6R1.6 NNC1COC1 MCULE-2986078946 [0,0,0,1,0,0|3,0,0]=4 1659 B6R1.6 NNC1COC1 MCULE-4662390820 [0,0,0,1,0,0|3,0,0]=4 1660 B6R1.6 NNC1COC1 MCULE-7804737341 [0,0,0,1,0,0|3,0,0]=4 1661 B6R1.6 NOC1COC1 MCULE-1949996102 [0,0,0,1,0,0|3,0,0]=4 1662 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,0,0,1,0,0|2,0,0]=3 1663 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,0,0,1,0,0|1,0,0]=2 1664 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,0,0,1,0,0|1,1,0]=3 1665 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,0,0,1,0,0|2,0,1]=4 1666 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,0,0,1,0,0|2,0,1]=4 1667 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,0,0,1,0,0|2,0,1]=4 1668 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,0,0,1,0,0|1,0,1]=3 1669 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,0,0,1,0,0|1,0,1]=3 1670 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,0,0,1,0,0|2,0,1]=4 1671 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,0,0,1,0,0|2,0,1]=4 1672 B6R1.6 OCC1COC1 MCULE-5031415478 [0,0,0,1,0,0|1,0,2]=4 1673 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,0,0,1,0,0|1,1,1]=4 1674 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,0,0,1,0,0|2,0,1]=4 1675 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,0,0,1,0,0|2,0,1]=4 1676 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,0,0,1,0,0|2,0,1]=4 1677 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,0,0,1,0,0|2,0,1]=4 1678 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,0,0,1,0,0|1,0,1]=3 1679 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,0,0,1,0,0|1,0,1]=3 1680 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,0,0,1,0,0|2,0,1]=4 1681 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,0,0,1,0,0|2,0,1]=4 1682 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,0,0,1,0,0|1,0,1]=3 1683 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,0,0,1,0,0|1,0,1]=3 1684 B6R1.6 SCC1COC1 MCULE-7193197469 [0,0,0,1,0,0|1,1,1]=4 1685 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,0,0,1,0,0|2,0,1]=4 1686 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,0,0,1,0,0|2,0,0]=3 1687 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,0,0,1,0,0|2,0,0]=3 1688 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [0,0,0,1,0,0|2,0,0]=3 1689 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,0,0,1,0,0|2,0,1]=4 1690 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,0,0,1,0,0|2,0,1]=4 1691 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,0,0,1,0,0|2,0,1]=4 1692 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,0,0,1,0,0|1,0,2]=4 1693 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,0,0,1,0,0|3,0,0]=4 1694 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,0,0,1,0,0|2,0,1]=4 1695 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,0,0,1,0,0|2,0,1]=4 1696 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,0,0,1,0,0|1,0,2]=4 1697 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,0,0,1,0,0|1,0,2]=4 1698 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,0,0,1,0,0|1,0,2]=4 1699 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,0,0,1,0,0|1,0,2]=4 1700 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,0,0,1,0,0|2,0,1]=4 1701 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,0,0,1,0,0|2,0,1]=4 1702 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,0,0,1,0,0|2,0,1]=4 1703 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,0,0,1,0,0|2,0,1]=4 1704 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,0,0,1,0,0|2,0,1]=4 1705 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [0,0,0,1,0,0|2,0,0]=3 1706 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,0,0,1,0,0|2,0,1]=4 1707 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,0,0,1,0,0|2,0,1]=4 1708 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,0,0,1,0,0|2,0,1]=4 1709 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,0,0,1,0,0|1,0,1]=3 1710 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,0,0,1,0,0|2,0,0]=3 1711 B6R1.8 CC1CC1C=O MCULE-2600627355 [0,0,0,1,0,0|2,0,0]=3 1712 B6R1.8 CC1CC1CO MCULE-5196594569 [0,0,0,1,0,0|2,0,1]=4 1713 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,0,0,1,0,0|2,0,1]=4 1714 B6R1.8 CC1OC1CO MCULE-1680425960 [0,0,0,1,0,0|1,0,1]=3 1715 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,0,0,1,0,0|2,0,1]=4 1716 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,0,0,1,0,0|2,0,1]=4 1717 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,0,0,1,0,0|2,0,1]=4 1718 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,0,0,1,0,0|2,0,1]=4 1719 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,0,0,1,0,0|2,0,1]=4 1720 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,0,0,1,0,0|2,0,1]=4 1721 B6R1.8 NC1CC1CO MCULE-7666097515 [0,0,0,1,0,0|2,0,1]=4 1722 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [0,0,0,1,0,0|2,0,0]=3 1723 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,0,0,1,0,0|2,0,1]=4 1724 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,0,0,1,0,0|2,0,1]=4 1725 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,0,0,1,0,0|2,0,1]=4 1726 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,0,0,1,0,0|2,0,1]=4 1727 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,0,0,1,0,0|2,0,1]=4 1728 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,0,0,1,0,0|2,0,1]=4 1729 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,0,0,1,0,0|2,0,1]=4 1730 B3R0.1 BrCCBr MCULE-7586462642 [2,0,0,0,0,0|2,0,0]=4 1731 B3R0.1 BrCCI MCULE-8691237057 [2,0,0,0,0,0|2,0,0]=4 1732 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 1733 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|1,0,1]=4 1734 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|0,0,2]=4 1735 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 1736 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|2,0,0]=4 1737 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,2]=4 1738 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 1739 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,0]=3 1740 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 1741 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 1742 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 1743 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,1]=4 1744 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,1]=4 1745 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,1]=3 1746 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,1,1]=4 1747 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|2,0,0]=4 1748 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 1749 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 1750 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|2,0,0]=4 1751 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 1752 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,0]=2 1753 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,1]=4 1754 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|1,0,1]=4 1755 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,1]=4 1756 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,1]=4 1757 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,1]=4 1758 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,1]=4 1759 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,1]=4 1760 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,1]=4 1761 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,1]=4 1762 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,1]=3 1763 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,1,1]=4 1764 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|2,0,0]=4 1765 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|2,0,0]=4 1766 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|2,0,0]=4 1767 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|2,0,0]=4 1768 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|2,0,0]=4 1769 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,1]=4 1770 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,1]=4 1771 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|2,0,0]=4 1772 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|2,0,0]=4 1773 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 1774 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 1775 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|2,0,0]=4 1776 B3R0.1 CN=C=O MCULE-7764606582 [2,0,0,0,0,0|1,0,1]=4 1777 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,0]=3 1778 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|1,1,0]=4 1779 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 1780 B3R0.1 ClCCBr MCULE-3933774075 [2,0,0,0,0,0|2,0,0]=4 1781 B3R0.1 ClCCCl MCULE-3493741440 [2,0,0,0,0,0|2,0,0]=4 1782 B3R0.1 ClCCI MCULE-7847880962 [2,0,0,0,0,0|2,0,0]=4 1783 B3R0.1 FCCBr MCULE-3117974140 [2,0,0,0,0,0|2,0,0]=4 1784 B3R0.1 FCCCl MCULE-1862981403 [2,0,0,0,0,0|2,0,0]=4 1785 B3R0.1 FCCF MCULE-1975194621 [2,0,0,0,0,0|2,0,0]=4 1786 B3R0.1 FCCI MCULE-3689313503 [2,0,0,0,0,0|2,0,0]=4 1787 B3R0.1 ICCI MCULE-8025471988 [2,0,0,0,0,0|2,0,0]=4 1788 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 1789 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|2,0,0]=4 1790 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|2,0,0]=4 1791 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|2,0,0]=4 1792 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|2,0,0]=4 1793 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|2,0,0]=4 1794 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|2,0,0]=4 1795 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|2,0,0]=4 1796 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|2,0,0]=4 1797 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|2,0,0]=4 1798 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|2,0,0]=4 1799 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|2,0,0]=4 1800 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|2,0,0]=4 1801 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,0]=3 1802 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,0]=3 1803 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|1,1,0]=4 1804 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|1,1,0]=4 1805 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 1806 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|2,0,0]=4 1807 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|0,0,2]=4 1808 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,0]=3 1809 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,0]=3 1810 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,0]=3 1811 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,0]=3 1812 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,0]=3 1813 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,0]=3 1814 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,0]=3 1815 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|0,0,0]=2 1816 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|0,1,0]=3 1817 B3R0.1 PCCP MCULE-2159678577 [2,0,0,0,0,0|2,0,0]=4 1818 B3R0.1 SCCBr MCULE-5899941299 [2,0,0,0,0,0|1,1,0]=4 1819 B3R0.1 SCCS MCULE-8277435664 [2,0,0,0,0,0|0,2,0]=4 1820 B3R0.1 [NH3+]CCS MCULE-6407472407 [2,0,0,0,0,0|1,1,0]=4 1821 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [2,0,0,0,0,0|2,0,0]=4 1822 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|1,0,1]=4 1823 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,1]=4 1824 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|1,0,1]=4 1825 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|1,0,1]=4 1826 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|2,0,0]=4 1827 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|2,0,0]=4 1828 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|2,0,0]=4 1829 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,1]=4 1830 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,1]=4 1831 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,1]=4 1832 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,1]=4 1833 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,1]=4 1834 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,1]=4 1835 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,1]=3 1836 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,1]=3 1837 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,1]=3 1838 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,1]=3 1839 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,1]=3 1840 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,1]=3 1841 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,1]=3 1842 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,1]=4 1843 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,2]=4 1844 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,2]=4 1845 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,2]=4 1846 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,2]=4 1847 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,2]=4 1848 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,2]=4 1849 B3R0.2 CC(Br)Br MCULE-3156450089 [2,0,0,0,0,0|2,0,0]=4 1850 B3R0.2 CC(C)Br MCULE-4068304617 [2,0,0,0,0,0|1,0,1]=4 1851 B3R0.2 CC(C)C MCULE-6616676274 [2,0,0,0,0,0|1,0,1]=4 1852 B3R0.2 CC(C)Cl MCULE-3190141598 [2,0,0,0,0,0|1,0,1]=4 1853 B3R0.2 CC(C)F MCULE-5333357055 [2,0,0,0,0,0|1,0,1]=4 1854 B3R0.2 CC(C)I MCULE-6151711033 [2,0,0,0,0,0|1,0,1]=4 1855 B3R0.2 CC(C)N MCULE-1048799006 [2,0,0,0,0,0|1,0,1]=4 1856 B3R0.2 CC(C)N MCULE-1125416142 [2,0,0,0,0,0|1,0,1]=4 1857 B3R0.2 CC(C)N MCULE-2418429353 [2,0,0,0,0,0|1,0,1]=4 1858 B3R0.2 CC(C)N MCULE-7280647435 [2,0,0,0,0,0|1,0,1]=4 1859 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|0,0,1]=3 1860 B3R0.2 CC(C)S MCULE-8283942088 [2,0,0,0,0,0|0,1,1]=4 1861 B3R0.2 CC(Cl)Br MCULE-6166388747 [2,0,0,0,0,0|2,0,0]=4 1862 B3R0.2 CC(Cl)Cl MCULE-2444543893 [2,0,0,0,0,0|2,0,0]=4 1863 B3R0.2 CC(F)Cl MCULE-1350283946 [2,0,0,0,0,0|2,0,0]=4 1864 B3R0.2 CC(F)F MCULE-1642052461 [2,0,0,0,0,0|2,0,0]=4 1865 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 1866 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|1,0,1]=4 1867 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|1,0,1]=4 1868 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|2,0,0]=4 1869 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|2,0,0]=4 1870 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 1871 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1872 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 1873 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 1874 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|2,0,0]=4 1875 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 1876 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,0,1]=4 1877 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,0,1]=4 1878 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|0,0,1]=3 1879 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|0,0,1]=3 1880 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|0,0,2]=4 1881 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|0,0,2]=4 1882 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|1,0,1]=4 1883 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|1,0,1]=4 1884 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|1,0,1]=4 1885 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|1,0,1]=4 1886 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|1,0,1]=4 1887 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|1,0,0]=3 1888 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|1,0,1]=4 1889 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|1,0,1]=4 1890 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|1,0,1]=4 1891 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|1,0,0]=3 1892 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|1,0,0]=3 1893 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|1,0,0]=3 1894 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|0,1,0]=3 1895 B3R0.2 OB(O)O MCULE-2905906674 [2,0,0,0,0,0|1,0,1]=4 1896 B3R0.2 OB(O)O MCULE-8095091838 [2,0,0,0,0,0|1,0,1]=4 1897 B3R0.2 OP(O)O MCULE-9313199709 [2,0,0,0,0,0|1,0,1]=4 1898 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,1,0,0,0,0|1,0,1]=4 1899 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,1,0,0,0,0|1,0,1]=4 1900 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,1,0,0,0,0|1,0,1]=4 1901 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,1,0,0,0,0|2,0,0]=4 1902 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,1,0,0,0,0|2,0,0]=4 1903 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,1,0,0,0,0|1,0,0]=3 1904 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,1,0,0,0,0|2,0,0]=4 1905 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,1,0,0,0,0|1,0,1]=4 1906 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,1,0,0,0,0|1,0,1]=4 1907 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,1,0,0,0,0|1,0,1]=4 1908 B5R0.1 C=C(C)CON MCULE-2773974323 [1,1,0,0,0,0|1,0,1]=4 1909 B5R0.1 C=C(C)CON MCULE-5978680243 [1,1,0,0,0,0|1,0,1]=4 1910 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,1,0,0,0,0|2,0,0]=4 1911 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,1,0,0,0,0|1,0,1]=4 1912 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,1,0,0,0,0|2,0,0]=4 1913 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,1,0,0,0,0|2,0,0]=4 1914 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,1,0,0,0,0|2,0,0]=4 1915 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,1,0,0,0,0|2,0,0]=4 1916 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,1,0,0,0,0|1,0,0]=3 1917 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,1,0,0,0,0|1,0,0]=3 1918 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,1,0,0,0,0|1,0,0]=3 1919 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,1,0,0,0,0|1,0,0]=3 1920 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,1,0,0,0,0|2,0,0]=4 1921 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,1,0,0,0,0|2,0,0]=4 1922 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,1,0,0,0,0|1,0,0]=3 1923 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,1,0,0,0,0|1,0,0]=3 1924 B5R0.1 C=COC(C)C MCULE-6339383821 [1,1,0,0,0,0|2,0,0]=4 1925 B5R0.1 CC#CC(C)O MCULE-5523814936 [1,1,0,0,0,0|1,0,1]=4 1926 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,1,0,0,0,0|1,0,1]=4 1927 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,1,0,0,0,0|1,0,1]=4 1928 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,1,0,0,0,0|1,0,1]=4 1929 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,1,0,0,0,0|0,0,2]=4 1930 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,1,0,0,0,0|1,0,1]=4 1931 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,1,0,0,0,0|1,0,1]=4 1932 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,1,0,0,0,0|1,0,1]=4 1933 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,1,0,0,0,0|1,0,1]=4 1934 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,1,0,0,0,0|1,0,0]=3 1935 B5R0.1 CC(C)CCO MCULE-7411270401 [1,1,0,0,0,0|1,0,1]=4 1936 B5R0.1 CC(C)CON MCULE-3476786246 [1,1,0,0,0,0|1,0,1]=4 1937 B5R0.1 CC(C)CON MCULE-4450654727 [1,1,0,0,0,0|1,0,1]=4 1938 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,1,0,0,0,0|1,0,1]=4 1939 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,1,0,0,0,0|1,0,0]=3 1940 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,1,0,0,0,0|1,0,0]=3 1941 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,1,0,0,0,0|1,0,1]=4 1942 B5R0.1 CC(N)CCO MCULE-1771399942 [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.1 CC(N)CCO MCULE-7239872808 [1,1,0,0,0,0|1,0,1]=4 1944 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,1,0,0,0,0|1,0,1]=4 1945 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,1,0,0,0,0|1,0,1]=4 1946 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,1,0,0,0,0|1,0,1]=4 1947 B5R0.1 CC(O)CCN MCULE-6836791276 [1,1,0,0,0,0|1,0,1]=4 1948 B5R0.1 CC(O)CCN MCULE-7186260925 [1,1,0,0,0,0|1,0,1]=4 1949 B5R0.1 CC(O)CCO MCULE-1694239851 [1,1,0,0,0,0|0,0,1]=3 1950 B5R0.1 CC(O)CCO MCULE-7784884948 [1,1,0,0,0,0|0,0,1]=3 1951 B5R0.1 CC(O)CNN MCULE-4956670781 [1,1,0,0,0,0|1,0,1]=4 1952 B5R0.1 CC(O)CNN MCULE-7917439573 [1,1,0,0,0,0|1,0,1]=4 1953 B5R0.1 CC(O)CON MCULE-1051091134 [1,1,0,0,0,0|0,0,1]=3 1954 B5R0.1 CC(O)CON MCULE-6722092589 [1,1,0,0,0,0|0,0,1]=3 1955 B5R0.1 CC(S)CCO MCULE-5702212503 [1,1,0,0,0,0|0,1,1]=4 1956 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,1,0,0,0,0|2,0,0]=4 1957 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,1,0,0,0,0|2,0,0]=4 1958 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,1,0,0,0,0|1,0,0]=3 1959 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,1,0,0,0,0|1,0,1]=4 1960 B5R0.1 CCCC(C)O MCULE-8205906299 [1,1,0,0,0,0|1,0,1]=4 1961 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,1,0,0,0,0|2,0,0]=4 1962 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,1,0,0,0,0|1,0,1]=4 1963 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,1,0,0,0,0|1,0,1]=4 1964 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,1,0,0,0,0|2,0,0]=4 1965 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,1,0,0,0,0|2,0,0]=4 1966 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,1,0,0,0,0|2,0,0]=4 1967 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,1,0,0,0,0|2,0,0]=4 1968 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,1,0,0,0,0|2,0,0]=4 1969 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,1,0,0,0,0|1,0,1]=4 1970 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,1,0,0,0,0|1,0,1]=4 1971 B5R0.1 CNCC(C)O MCULE-3671071529 [1,1,0,0,0,0|1,0,1]=4 1972 B5R0.1 CNCC(C)O MCULE-4171705304 [1,1,0,0,0,0|1,0,1]=4 1973 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,1,0,0,0,0|1,0,1]=4 1974 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,1,0,0,0,0|1,0,1]=4 1975 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,1,0,0,0,0|1,0,1]=4 1976 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,1,0,0,0,0|1,0,1]=4 1977 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,1,0,0,0,0|1,0,1]=4 1978 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,1,0,0,0,0|1,0,1]=4 1979 B5R0.1 COCC(=O)C MCULE-7262197587 [1,1,0,0,0,0|1,0,1]=4 1980 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,1,0,0,0,0|1,0,1]=4 1981 B5R0.1 COCC(=O)N MCULE-6674958132 [1,1,0,0,0,0|1,0,1]=4 1982 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|0,0,1]=3 1983 B5R0.1 COCC(C)Br MCULE-6850689931 [1,1,0,0,0,0|1,0,1]=4 1984 B5R0.1 COCC(C)I MCULE-8608265714 [1,1,0,0,0,0|1,0,1]=4 1985 B5R0.1 COCC(C)N MCULE-1896873634 [1,1,0,0,0,0|1,0,1]=4 1986 B5R0.1 COCC(C)N MCULE-2549420211 [1,1,0,0,0,0|1,0,1]=4 1987 B5R0.1 COCC(C)N MCULE-3490410444 [1,1,0,0,0,0|1,0,1]=4 1988 B5R0.1 COCC(C)N MCULE-7089888882 [1,1,0,0,0,0|1,0,1]=4 1989 B5R0.1 COCC(C)O MCULE-4022733014 [1,1,0,0,0,0|0,0,1]=3 1990 B5R0.1 COCC(C)O MCULE-7513310960 [1,1,0,0,0,0|0,0,1]=3 1991 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,1,0,0,0,0|1,0,1]=4 1992 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,1,0,0,0,0|1,0,1]=4 1993 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,1,0,0,0,0|1,0,1]=4 1994 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,1,0,0,0,0|1,0,1]=4 1995 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,1,0,0,0,0|0,0,1]=3 1996 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,1,0,0,0,0|0,0,1]=3 1997 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,1,0,0,0,0|1,0,1]=4 1998 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,1,0,0,0,0|1,0,1]=4 1999 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,1,0,0,0,0|1,0,1]=4 2000 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,1,0,0,0,0|1,0,1]=4 2001 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,1,0,0,0,0|0,0,1]=3 2002 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,1,0,0,0,0|0,0,1]=3 2003 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,1,0,0,0,0|2,0,0]=4 2004 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|0,1,1]=4 2005 B5R0.1 CSCC(C)O MCULE-2227652351 [1,1,0,0,0,0|0,1,1]=4 2006 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,1,0,0,0,0|1,0,1]=4 2007 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,1,0,0,0,0|1,0,1]=4 2008 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,1,0,0,0,0|1,0,1]=4 2009 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,1,0,0,0,0|1,0,1]=4 2010 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,1,0,0,0,0|1,0,1]=4 2011 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,1,0,0,0,0|1,0,1]=4 2012 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,1,0,0,0,0|1,0,1]=4 2013 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,1,0,0,0,0|0,0,1]=3 2014 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,1,0,0,0,0|0,0,1]=3 2015 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,1,0,0,0,0|0,0,1]=3 2016 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,1,0,0,0,0|0,0,1]=3 2017 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,1,0,0,0,0|1,0,1]=4 2018 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,1,0,0,0,0|1,0,1]=4 2019 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,1,0,0,0,0|1,0,1]=4 2020 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,1,0,0,0,0|1,0,1]=4 2021 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,1,0,0,0,0|1,0,1]=4 2022 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,1,0,0,0,0|1,0,1]=4 2023 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,1,0,0,0,0|1,0,1]=4 2024 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,1,0,0,0,0|0,0,1]=3 2025 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,1,0,0,0,0|0,0,1]=3 2026 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,1,0,0,0,0|0,0,1]=3 2027 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,1,0,0,0,0|0,0,1]=3 2028 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,1,0,0,0,0|2,0,0]=4 2029 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,1,0,0,0,0|1,0,1]=4 2030 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,1,0,0,0,0|1,0,1]=4 2031 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,1,0,0,0,0|1,0,1]=4 2032 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,1,0,0,0,0|1,0,1]=4 2033 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,1,0,0,0,0|1,0,1]=4 2034 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,1,0,0,0,0|1,0,1]=4 2035 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,1,0,0,0,0|2,0,0]=4 2036 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,1,0,0,0,0|2,0,0]=4 2037 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,1,0,0,0,0|1,0,1]=4 2038 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,1,0,0,0,0|1,0,1]=4 2039 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,1,0,0,0,0|0,0,1]=3 2040 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,1,0,0,0,0|0,0,1]=3 2041 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,1,0,0,0,0|0,0,1]=3 2042 B5R0.1 NOCC(F)F MCULE-1860693804 [1,1,0,0,0,0|2,0,0]=4 2043 B5R0.1 NOCC(F)F MCULE-2698080780 [1,1,0,0,0,0|2,0,0]=4 2044 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,1,0,0,0,0|0,0,2]=4 2045 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,1,0,0,0,0|0,0,2]=4 2046 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,1,0,0,0,0|1,0,1]=4 2047 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,1,0,0,0,0|1,0,1]=4 2048 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,1,0,0,0,0|1,0,1]=4 2049 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,1,0,0,0,0|1,0,1]=4 2050 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|0,0,1]=3 2051 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|0,1,1]=4 2052 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,1,0,0,0,0|0,0,1]=3 2053 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,1,0,0,0,0|0,0,2]=4 2054 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,1,0,0,0,0|1,0,1]=4 2055 B5R0.1 OCCC(F)F MCULE-9207688926 [1,1,0,0,0,0|2,0,0]=4 2056 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,1,0,0,0,0|1,0,1]=4 2057 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,1,0,0,0,0|1,0,1]=4 2058 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,1,0,0,0,0|1,0,1]=4 2059 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,1,0,0,0,0|1,0,1]=4 2060 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [1,1,0,0,0,0|1,0,1]=4 2061 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [1,1,0,0,0,0|2,0,0]=4 2062 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [1,1,0,0,0,0|2,0,0]=4 2063 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [1,1,0,0,0,0|2,0,0]=4 2064 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [1,1,0,0,0,0|2,0,0]=4 2065 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,0]=3 2066 B5R0.4 C=CC(C)(Cl)Cl MCULE-7431364327 [1,1,0,0,0,0|2,0,0]=4 2067 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,1,0,0,0,0|2,0,0]=4 2068 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [1,1,0,0,0,0|1,0,0]=3 2069 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,1,0,0,0,0|1,0,1]=4 2070 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [1,1,0,0,0,0|1,0,0]=3 2071 B5R0.4 CC(C)(C)CO MCULE-4399535684 [1,1,0,0,0,0|1,0,1]=4 2072 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [1,1,0,0,0,0|2,0,0]=4 2073 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [1,1,0,0,0,0|1,0,0]=3 2074 B5R0.4 CC(C)(F)CO MCULE-1700621997 [1,1,0,0,0,0|1,0,1]=4 2075 B5R0.4 CC(C)(N)CO MCULE-4072416202 [1,1,0,0,0,0|1,0,1]=4 2076 B5R0.4 CC(C)(N)CO MCULE-4209651459 [1,1,0,0,0,0|1,0,1]=4 2077 B5R0.4 CC(C)(N)CO MCULE-6047079177 [1,1,0,0,0,0|1,0,1]=4 2078 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [1,1,0,0,0,0|1,0,1]=4 2079 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,1,0,0,0,0|0,0,0]=2 2080 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [1,1,0,0,0,0|1,0,1]=4 2081 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [1,1,0,0,0,0|1,0,1]=4 2082 B5R0.4 CC(C)(O)CF MCULE-6616447132 [1,1,0,0,0,0|1,0,1]=4 2083 B5R0.4 CC(C)(O)CI MCULE-5132198363 [1,1,0,0,0,0|1,0,1]=4 2084 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,1]=4 2085 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,1]=4 2086 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,1,0,0,0,0|0,0,1]=3 2087 B5R0.4 CC(C)(O)CS MCULE-2370088388 [1,1,0,0,0,0|0,1,1]=4 2088 B5R0.4 CC(C)(S)CO MCULE-6119329508 [1,1,0,0,0,0|0,1,1]=4 2089 B5R0.4 CC(F)(F)CO MCULE-1049181656 [1,1,0,0,0,0|1,0,1]=4 2090 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,1,0,0,0,0|1,0,1]=4 2091 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|2,0,0]=4 2092 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|2,0,0]=4 2093 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|2,0,0]=4 2094 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|2,0,0]=4 2095 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,1,0,0,0,0|2,0,0]=4 2096 B5R0.4 O=CC(Br)(Br)Br MCULE-5990521436 [1,1,0,0,0,0|2,0,0]=4 2097 B5R0.4 O=CC(Cl)(Cl)Cl MCULE-5840193226 [1,1,0,0,0,0|2,0,0]=4 2098 B5R0.4 O=CC(F)(F)F MCULE-4938131324 [1,1,0,0,0,0|2,0,0]=4 2099 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,1,0,0,0,0|2,0,0]=4 2100 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|1,0,0]=3 2101 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [1,1,0,0,0,0|2,0,0]=4 2102 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [1,1,0,0,0,0|2,0,0]=4 2103 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|1,0,0]=3 2104 B5R0.4 O=S(=O)([O-])CO MCULE-5488503909 [1,1,0,0,0,0|1,0,1]=4 2105 B5R0.4 OCC(Br)(Br)Br MCULE-9737115042 [1,1,0,0,0,0|2,0,0]=4 2106 B5R0.4 OCC(Cl)(Cl)Cl MCULE-8316955208 [1,1,0,0,0,0|2,0,0]=4 2107 B5R0.4 OCC(F)(Cl)Cl MCULE-2523125765 [1,1,0,0,0,0|2,0,0]=4 2108 B5R0.4 OCC(F)(F)Br MCULE-8857421613 [1,1,0,0,0,0|2,0,0]=4 2109 B5R0.4 OCC(F)(F)Cl MCULE-2727519309 [1,1,0,0,0,0|2,0,0]=4 2110 B5R0.4 OCC(F)(F)F MCULE-1284939486 [1,1,0,0,0,0|2,0,0]=4 2111 B5R0.4 OCC(F)(F)F MCULE-5503592317 [1,1,0,0,0,0|2,0,0]=4 2112 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [1,1,0,0,0,0|2,0,0]=4 2113 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|1,0,1]=4 2114 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,1,0,0,0,0|1,0,1]=4 2115 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|1,0,1]=4 2116 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|1,0,1]=4 2117 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,1,0,0,0,0|1,0,1]=4 2118 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,1,0,0,0,0|1,0,1]=4 2119 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,1,0,0,0,0|1,0,1]=4 2120 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|2,0,0]=4 2121 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|2,0,0]=4 2122 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|1,0,0]=3 2123 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,1,0,0,0,0|0,0,2]=4 2124 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,1,0,0,0,0|0,0,2]=4 2125 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|0,0,2]=4 2126 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|0,0,2]=4 2127 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,1,0,0,0,0|0,0,2]=4 2128 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,1,0,0,0,0|0,0,2]=4 2129 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,1,0,0,0,0|0,0,2]=4 2130 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|1,0,0]=3 2131 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|1,0,0]=3 2132 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|1,0,0]=3 2133 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|1,0,0]=3 2134 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|1,0,0]=3 2135 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|1,0,0]=3 2136 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|0,0,0]=2 2137 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|0,1,0]=3 2138 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,1,0,0,0,0|2,0,0]=4 2139 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,1,0,0,0,0|2,0,0]=4 2140 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,1,0,0,0,0|2,0,0]=4 2141 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|2,0,0]=4 2142 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|1,0,0]=3 2143 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|1,0,0]=3 2144 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|1,0,0]=3 2145 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|1,0,0]=3 2146 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|1,0,0]=3 2147 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|1,0,0]=3 2148 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|1,0,0]=3 2149 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|1,0,0]=3 2150 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|1,0,0]=3 2151 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,1,0,0,0,0|2,0,0]=4 2152 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,1,0,0,0,0|2,0,0]=4 2153 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|1,0,0]=3 2154 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|1,0,0]=3 2155 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|1,0,0]=3 2156 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|1,0,0]=3 2157 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|1,0,0]=3 2158 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,1,0,0,0,0|1,1,0]=4 2159 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,1,0,0,0,0|1,0,1]=4 2160 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,1,0,0,0,0|2,0,0]=4 2161 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,1,0,0,0,0|2,0,0]=4 2162 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|2,0,0]=4 2163 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,1,0,0,0,0|2,0,0]=4 2164 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,1,0,0,0,0|1,0,1]=4 2165 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,1,0,0,0,0|1,0,1]=4 2166 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,1,0,0,0,0|1,0,1]=4 2167 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,1,0,0,0,0|2,0,0]=4 2168 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,1,0,0,0,0|2,0,0]=4 2169 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|1,0,0]=3 2170 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|1,0,0]=3 2171 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|1,0,0]=3 2172 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|1,0,0]=3 2173 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|1,0,0]=3 2174 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|1,0,0]=3 2175 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,0]=3 2176 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,0]=3 2177 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,0]=3 2178 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,0]=3 2179 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,0]=3 2180 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,0]=3 2181 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|1,0,0]=3 2182 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|1,0,0]=3 2183 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|1,0,0]=3 2184 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|1,0,0]=3 2185 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|1,0,1]=4 2186 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|1,0,1]=4 2187 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|1,0,0]=3 2188 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|1,0,0]=3 2189 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|0,0,0]=2 2190 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|0,0,0]=2 2191 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|0,0,0]=2 2192 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|0,0,0]=2 2193 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|0,0,0]=2 2194 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|0,0,0]=2 2195 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|0,0,0]=2 2196 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,1,0,0,0,0|1,0,1]=4 2197 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [1,1,0,0,0,0|1,0,1]=4 2198 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,1,0,0,0,0|0,0,1]=3 2199 B5R0.5 CC(O)C(C)S MCULE-3741743569 [1,1,0,0,0,0|0,1,1]=4 2200 B5R0.5 CC(O)C(F)F MCULE-1258374037 [1,1,0,0,0,0|1,0,1]=4 2201 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|0,1,0]=3 2202 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|0,1,0]=3 2203 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,1,0,0,0,0|2,0,0]=4 2204 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,1,0,0,0,0|2,0,0]=4 2205 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,1,0,0,0,0|2,0,0]=4 2206 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,1,0,0,0,0|2,0,0]=4 2207 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 2208 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|1,0,0]=3 2209 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|1,0,0]=3 2210 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|1,0,0]=3 2211 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|1,0,0]=3 2212 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|1,0,0]=3 2213 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|1,0,0]=3 2214 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,0]=3 2215 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,0]=3 2216 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,0]=3 2217 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,0]=3 2218 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|1,0,0]=3 2219 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|1,0,0]=3 2220 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|1,0,1]=4 2221 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|1,0,1]=4 2222 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|1,0,1]=4 2223 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|1,0,1]=4 2224 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|1,0,1]=4 2225 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|1,0,0]=3 2226 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|1,0,0]=3 2227 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|1,0,0]=3 2228 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|1,0,0]=3 2229 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|0,0,0]=2 2230 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|0,0,0]=2 2231 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|0,0,0]=2 2232 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|0,0,0]=2 2233 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|0,0,0]=2 2234 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|0,0,0]=2 2235 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|0,0,0]=2 2236 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,1,0,0,0,0|0,0,1]=3 2237 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,1,0,0,0,0|0,0,1]=3 2238 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,1,0,0,0,0|0,0,1]=3 2239 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|1,0,0]=3 2240 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|1,0,0]=3 2241 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|1,0,0]=3 2242 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|1,0,0]=3 2243 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|1,0,0]=3 2244 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|1,0,0]=3 2245 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,0]=3 2246 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,0]=3 2247 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,0]=3 2248 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,0]=3 2249 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,0]=3 2250 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,0]=3 2251 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,0]=3 2252 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,0]=3 2253 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|1,0,0]=3 2254 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|1,0,0]=3 2255 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|1,0,0]=3 2256 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|1,0,0]=3 2257 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|1,0,1]=4 2258 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|1,0,1]=4 2259 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|1,0,1]=4 2260 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|1,0,1]=4 2261 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|1,0,1]=4 2262 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|1,0,1]=4 2263 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|0,0,0]=2 2264 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|0,0,0]=2 2265 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|0,0,0]=2 2266 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|0,0,0]=2 2267 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|0,0,0]=2 2268 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|0,0,0]=2 2269 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|0,0,0]=2 2270 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|0,0,0]=2 2271 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|1,0,1]=4 2272 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|1,0,1]=4 2273 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|1,0,1]=4 2274 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|1,0,1]=4 2275 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,1,0,0,0,0|0,0,1]=3 2276 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,1,0,0,0,0|0,0,1]=3 2277 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,1,0,0,0,0|0,0,1]=3 2278 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [1,1,0,0,0,0|0,1,1]=4 2279 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,1,0,0,0,0|0,0,2]=4 2280 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,1,0,0,0,0|2,0,0]=4 2281 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,1,0,0,0,0|2,0,0]=4 2282 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,1,0,0,0,0|2,0,0]=4 2283 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,1,0,0,0,0|2,0,0]=4 2284 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,1,0,0,0,0|2,0,0]=4 2285 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,1,0,0,0,0|2,0,0]=4 2286 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|0,0,1]=3 2287 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,1,0,0,0,0|2,0,0]=4 2288 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,1,0,0,0,0|2,0,0]=4 2289 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,1,0,0,0,0|2,0,0]=4 2290 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,1,0,0,0,0|2,0,0]=4 2291 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,1,0,0,0,0|0,0,2]=4 2292 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,1,0,0,0,0|0,0,2]=4 2293 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,1,0,0,0,0|0,0,2]=4 2294 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,1,0,0,0,0|0,0,2]=4 2295 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,1,0,0,0,0|0,0,2]=4 2296 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,1,0,0,0,0|0,0,2]=4 2297 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,1,0,0,0,0|0,0,2]=4 2298 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,1,0,0,0,0|0,0,2]=4 2299 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,1,0,0,0,0|0,0,2]=4 2300 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,1,0,0,0,0|0,0,2]=4 2301 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,1,0,0,0,0|0,0,2]=4 2302 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,1,0,0,0,0|1,0,1]=4 2303 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,1,0,0,0,0|1,0,1]=4 2304 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,1,0,0,0,0|1,0,1]=4 2305 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,1,0,0,0,0|1,0,1]=4 2306 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,1,0,0,0,0|1,0,1]=4 2307 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,1,0,0,0,0|1,0,1]=4 2308 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,1,0,0,0,0|1,0,1]=4 2309 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|0,0,0]=2 2310 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,1,0,0,0,0|1,0,1]=4 2311 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,1,0,0,0,0|1,0,1]=4 2312 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,1,0,0,0,0|2,0,0]=4 2313 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,1,0,0,0,0|2,0,0]=4 2314 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,1,0,0,0,0|2,0,0]=4 2315 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [1,1,0,0,0,0|2,0,0]=4 2316 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [1,1,0,0,0,0|1,0,1]=4 2317 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|0,0,0]=2 2318 B5R0.2 C#CCCC=C MCULE-4858099861 [1,1,0,0,0,0|2,0,0]=4 2319 B5R0.2 C#CCCC=O MCULE-9994552907 [1,1,0,0,0,0|1,0,0]=3 2320 B5R0.2 C#CCCCO MCULE-6360852809 [1,1,0,0,0,0|1,0,1]=4 2321 B5R0.2 C#CCCOC MCULE-7152168835 [1,1,0,0,0,0|1,0,1]=4 2322 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|2,0,0]=4 2323 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|1,0,0]=3 2324 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|2,0,0]=4 2325 B5R0.2 C=C=CCCBr MCULE-5561919067 [1,1,0,0,0,0|2,0,0]=4 2326 B5R0.2 C=C=CCCI MCULE-7583015374 [1,1,0,0,0,0|2,0,0]=4 2327 B5R0.2 C=C=CCCN MCULE-5814175873 [1,1,0,0,0,0|2,0,0]=4 2328 B5R0.2 C=C=CCCN MCULE-8177198091 [1,1,0,0,0,0|2,0,0]=4 2329 B5R0.2 C=C=CCCO MCULE-1054355649 [1,1,0,0,0,0|1,0,0]=3 2330 B5R0.2 C=CC#CCO MCULE-5199716906 [1,1,0,0,0,0|1,0,1]=4 2331 B5R0.2 C=CCCC#N MCULE-8967750268 [1,1,0,0,0,0|2,0,0]=4 2332 B5R0.2 C=CCCC=C MCULE-2599309974 [1,1,0,0,0,0|2,0,0]=4 2333 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|1,0,0]=3 2334 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|2,0,0]=4 2335 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|2,0,0]=4 2336 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|2,0,0]=4 2337 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|2,0,0]=4 2338 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|2,0,0]=4 2339 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|2,0,0]=4 2340 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|1,0,0]=3 2341 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|2,0,0]=4 2342 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|2,0,0]=4 2343 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|1,0,0]=3 2344 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|1,0,0]=3 2345 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|1,0,0]=3 2346 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|1,0,1]=4 2347 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|2,0,0]=4 2348 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|2,0,0]=4 2349 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|1,0,1]=4 2350 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|2,0,0]=4 2351 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|2,0,0]=4 2352 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|2,0,0]=4 2353 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|2,0,0]=4 2354 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|2,0,0]=4 2355 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|2,0,0]=4 2356 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|2,0,0]=4 2357 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|1,0,0]=3 2358 B5R0.2 CC#CCC=O MCULE-6071390808 [1,1,0,0,0,0|1,0,1]=4 2359 B5R0.2 CC#CCCO MCULE-9400138491 [1,1,0,0,0,0|1,0,1]=4 2360 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|1,0,1]=4 2361 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|1,0,1]=4 2362 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|2,0,0]=4 2363 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|2,0,0]=4 2364 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|2,0,0]=4 2365 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|2,0,0]=4 2366 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|1,0,0]=3 2367 B5R0.2 CCC#CC=O MCULE-3889262436 [1,1,0,0,0,0|1,0,1]=4 2368 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|1,0,1]=4 2369 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|1,0,1]=4 2370 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|1,0,1]=4 2371 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|1,0,0]=3 2372 B5R0.2 CCCCCO MCULE-8714292632 [1,1,0,0,0,0|1,0,1]=4 2373 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|1,0,1]=4 2374 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|1,0,1]=4 2375 B5R0.2 CCCCOC MCULE-9814272675 [1,1,0,0,0,0|1,0,1]=4 2376 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|1,0,1]=4 2377 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|1,0,1]=4 2378 B5R0.2 CCCN=C=O MCULE-9014468293 [1,1,0,0,0,0|1,0,1]=4 2379 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|1,0,0]=3 2380 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|1,0,0]=3 2381 B5R0.2 CCNCCO MCULE-2537734730 [1,1,0,0,0,0|1,0,1]=4 2382 B5R0.2 CCNCCO MCULE-3738714907 [1,1,0,0,0,0|1,0,1]=4 2383 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|1,0,1]=4 2384 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|1,0,0]=3 2385 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|1,0,1]=4 2386 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|1,0,1]=4 2387 B5R0.2 CNCCOC MCULE-2857904484 [1,1,0,0,0,0|2,0,0]=4 2388 B5R0.2 CNCCOC MCULE-5342712496 [1,1,0,0,0,0|2,0,0]=4 2389 B5R0.2 COCCC#N MCULE-3009737584 [1,1,0,0,0,0|1,0,1]=4 2390 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|0,0,0]=2 2391 B5R0.2 COCCCBr MCULE-6489536401 [1,1,0,0,0,0|1,0,1]=4 2392 B5R0.2 COCCCCl MCULE-9192274624 [1,1,0,0,0,0|1,0,1]=4 2393 B5R0.2 COCCCF MCULE-5055725246 [1,1,0,0,0,0|1,0,1]=4 2394 B5R0.2 COCCCI MCULE-9111605439 [1,1,0,0,0,0|1,0,1]=4 2395 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,1]=4 2396 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,1]=4 2397 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|0,0,2]=4 2398 B5R0.2 COCCCS MCULE-2371333731 [1,1,0,0,0,0|0,1,1]=4 2399 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|2,0,0]=4 2400 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|2,0,0]=4 2401 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|2,0,0]=4 2402 B5R0.2 COCCOC MCULE-7572196731 [1,1,0,0,0,0|2,0,0]=4 2403 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|2,0,0]=4 2404 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|2,0,0]=4 2405 B5R0.2 COCCSC MCULE-5362054021 [1,1,0,0,0,0|2,0,0]=4 2406 B5R0.2 COCN=C=O MCULE-6951734265 [1,1,0,0,0,0|1,0,1]=4 2407 B5R0.2 CONCCO MCULE-9787830121 [1,1,0,0,0,0|1,0,1]=4 2408 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|0,1,0]=3 2409 B5R0.2 CSCCCO MCULE-9232413185 [1,1,0,0,0,0|0,1,1]=4 2410 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|2,0,0]=4 2411 B5R0.2 N#CCCC=O MCULE-9521735106 [1,1,0,0,0,0|1,0,0]=3 2412 B5R0.2 N#CCCCO MCULE-2108386837 [1,1,0,0,0,0|1,0,1]=4 2413 B5R0.2 N#CCCON MCULE-4242787851 [1,1,0,0,0,0|1,0,1]=4 2414 B5R0.2 N#CCCON MCULE-9943219810 [1,1,0,0,0,0|1,0,1]=4 2415 B5R0.2 N#CCOC=O MCULE-4453241991 [1,1,0,0,0,0|1,0,1]=4 2416 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,1,0,0,0,0|2,0,0]=4 2417 B5R0.2 N#N=NCCO MCULE-6147827656 [1,1,0,0,0,0|2,0,0]=4 2418 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|1,0,1]=4 2419 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|1,0,1]=4 2420 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|1,0,1]=4 2421 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|1,0,1]=4 2422 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|1,0,1]=4 2423 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|1,0,1]=4 2424 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|1,0,1]=4 2425 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,1,0,0,0,0|1,0,1]=4 2426 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,1,0,0,0,0|1,0,1]=4 2427 B5R0.2 NOCC=CCl MCULE-5233830243 [1,1,0,0,0,0|1,0,1]=4 2428 B5R0.2 NOCC=CCl MCULE-7677577759 [1,1,0,0,0,0|1,0,1]=4 2429 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|0,0,2]=4 2430 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|0,0,2]=4 2431 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|0,1,1]=4 2432 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|0,1,1]=4 2433 B5R0.2 NOCCON MCULE-2027662613 [1,1,0,0,0,0|2,0,0]=4 2434 B5R0.2 NOCCON MCULE-3458073239 [1,1,0,0,0,0|2,0,0]=4 2435 B5R0.2 O=C=NCCBr MCULE-9707894644 [1,1,0,0,0,0|1,0,1]=4 2436 B5R0.2 O=C=NCCCl MCULE-8919918461 [1,1,0,0,0,0|1,0,1]=4 2437 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|0,0,1]=3 2438 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|0,0,1]=3 2439 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|1,0,0]=3 2440 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|1,0,0]=3 2441 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|1,0,0]=3 2442 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|0,0,0]=2 2443 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|0,0,0]=2 2444 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|0,0,0]=2 2445 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,1,0,0,0,0|1,0,1]=4 2446 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,1,0,0,0,0|0,0,2]=4 2447 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,1,0,0,0,0|0,0,2]=4 2448 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|1,0,1]=4 2449 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|1,0,1]=4 2450 B5R0.2 OCC=CCCl MCULE-7597942117 [1,1,0,0,0,0|1,0,1]=4 2451 B5R0.2 OCC=CCO MCULE-9559211408 [1,1,0,0,0,0|0,0,2]=4 2452 B5R0.2 OCCCCBr MCULE-9231591925 [1,1,0,0,0,0|1,0,1]=4 2453 B5R0.2 OCCCCCl MCULE-3507644812 [1,1,0,0,0,0|1,0,1]=4 2454 B5R0.2 OCCCCF MCULE-9242285588 [1,1,0,0,0,0|1,0,1]=4 2455 B5R0.2 OCCCCI MCULE-8723720522 [1,1,0,0,0,0|1,0,1]=4 2456 B5R0.2 OCCCCO MCULE-2010022287 [1,1,0,0,0,0|0,0,2]=4 2457 B5R0.2 OCCCCO MCULE-6551106098 [1,1,0,0,0,0|0,0,2]=4 2458 B5R0.2 OCCCCS MCULE-8169490949 [1,1,0,0,0,0|0,1,1]=4 2459 B5R0.2 OCCNCO MCULE-2141033453 [1,1,0,0,0,0|0,0,2]=4 2460 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|1,0,0]=3 2461 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,2,0,0,0,0|2,0,0]=4 2462 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|2,0,0]=4 2463 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,2,0,0,0,0|2,0,0]=4 2464 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,2,0,0,0,0|2,0,0]=4 2465 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|1,0,0]=3 2466 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,2,0,0,0,0|2,0,0]=4 2467 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,2,0,0,0,0|2,0,0]=4 2468 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,2,0,0,0,0|2,0,0]=4 2469 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,2,0,0,0,0|1,0,0]=3 2470 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,2,0,0,0,0|1,0,0]=3 2471 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,2,0,0,0,0|1,0,0]=3 2472 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,2,0,0,0,0|2,0,0]=4 2473 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [0,2,0,0,0,0|2,0,0]=4 2474 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,2,0,0,0,0|2,0,0]=4 2475 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,2,0,0,0,0|2,0,0]=4 2476 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,2,0,0,0,0|2,0,0]=4 2477 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|2,0,0]=4 2478 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|2,0,0]=4 2479 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,2,0,0,0,0|2,0,0]=4 2480 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,2,0,0,0,0|2,0,0]=4 2481 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|2,0,0]=4 2482 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|2,0,0]=4 2483 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,2,0,0,0,0|2,0,0]=4 2484 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,2,0,0,0,0|2,0,0]=4 2485 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,2,0,0,0,0|2,0,0]=4 2486 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,2,0,0,0,0|2,0,0]=4 2487 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|2,0,0]=4 2488 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|2,0,0]=4 2489 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,2,0,0,0,0|1,0,0]=3 2490 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|1,0,0]=3 2491 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,2,0,0,0,0|1,0,1]=4 2492 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,2,0,0,0,0|1,0,1]=4 2493 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|2,0,0]=4 2494 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|2,0,0]=4 2495 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|2,0,0]=4 2496 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|2,0,0]=4 2497 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|2,0,0]=4 2498 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|2,0,0]=4 2499 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|2,0,0]=4 2500 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|2,0,0]=4 2501 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|2,0,0]=4 2502 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|2,0,0]=4 2503 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|2,0,0]=4 2504 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|2,0,0]=4 2505 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [0,2,0,0,0,0|1,0,1]=4 2506 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [0,2,0,0,0,0|1,0,1]=4 2507 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [0,2,0,0,0,0|1,0,1]=4 2508 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,2,0,0,0,0|2,0,0]=4 2509 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|2,0,0]=4 2510 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|2,0,0]=4 2511 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|1,0,0]=3 2512 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|1,0,0]=3 2513 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|1,0,0]=3 2514 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|2,0,0]=4 2515 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|2,0,0]=4 2516 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|1,0,0]=3 2517 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|2,0,0]=4 2518 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|2,0,0]=4 2519 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|1,0,0]=3 2520 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|1,0,0]=3 2521 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|2,0,0]=4 2522 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|2,0,0]=4 2523 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|1,0,0]=3 2524 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|1,0,0]=3 2525 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|1,0,0]=3 2526 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|1,0,0]=3 2527 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|1,0,0]=3 2528 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|1,0,0]=3 2529 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|0,0,2]=4 2530 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|0,0,0]=2 2531 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|0,0,0]=2 2532 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,2,0,0,0,0|0,0,0]=2 2533 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,2,0,0,0,0|0,0,0]=2 2534 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,2,0,0,0,0|1,0,0]=3 2535 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,2,0,0,0,0|1,0,0]=3 2536 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [0,2,0,0,0,0|2,0,0]=4 2538 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [0,2,0,0,0,0|2,0,0]=4 2539 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [0,2,0,0,0,0|2,0,0]=4 2540 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [0,2,0,0,0,0|2,0,0]=4 2541 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [0,2,0,0,0,0|1,0,0]=3 2542 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,2,0,0,0,0|2,0,0]=4 2543 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [0,2,0,0,0,0|2,0,0]=4 2544 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [0,2,0,0,0,0|1,0,0]=3 2545 B7R0.3 CCC(O)CCCO MCULE-1099760826 [0,2,0,0,0,0|1,0,1]=4 2546 B7R0.3 CCC(O)CCOC MCULE-1245099360 [0,2,0,0,0,0|1,0,1]=4 2547 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [0,2,0,0,0,0|2,0,0]=4 2548 B7R0.3 CCCCC(O)CO MCULE-6903923961 [0,2,0,0,0,0|1,0,1]=4 2549 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [0,2,0,0,0,0|1,0,1]=4 2551 B7R0.3 CCOCC(O)CN MCULE-2355759727 [0,2,0,0,0,0|1,0,1]=4 2552 B7R0.3 CCOCC(O)CO MCULE-2728952355 [0,2,0,0,0,0|0,0,2]=4 2553 B7R0.3 N#N=NCC(O)CO MCULE-9290720433 [0,2,0,0,0,0|1,0,1]=4 2554 B7R0.3 OCCCC(O)CO MCULE-3529953491 [0,2,0,0,0,0|0,0,2]=4 2555 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,2,0,0,0,0|2,0,0]=4 2556 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|2,0,0]=4 2558 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|2,0,0]=4 2559 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|2,0,0]=4 2560 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|2,0,0]=4 2561 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|1,0,0]=3 2562 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|2,0,0]=4 2563 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|2,0,0]=4 2564 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|2,0,0]=4 2565 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|2,0,0]=4 2566 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|2,0,0]=4 2567 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|2,0,0]=4 2568 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|2,0,0]=4 2569 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|2,0,0]=4 2570 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|1,0,1]=4 2571 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|1,0,1]=4 2572 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,2,0,0,0,0|2,0,0]=4 2573 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|2,0,0]=4 2574 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|2,0,0]=4 2575 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|2,0,0]=4 2576 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|2,0,0]=4 2577 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|2,0,0]=4 2578 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,0]=3 2579 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [0,2,0,0,0,0|2,0,0]=4 2580 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|2,0,0]=4 2581 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|2,0,0]=4 2582 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|2,0,0]=4 2583 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|2,0,0]=4 2584 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,0]=3 2585 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|2,0,0]=4 2586 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|2,0,0]=4 2587 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|2,0,0]=4 2588 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|2,0,0]=4 2589 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,0]=3 2590 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,2,0,0,0,0|2,0,0]=4 2591 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,2,0,0,0,0|2,0,0]=4 2592 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,2,0,0,0,0|1,0,0]=3 2593 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,2,0,0,0,0|2,0,0]=4 2594 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,2,0,0,0,0|1,0,0]=3 2595 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,2,0,0,0,0|2,0,0]=4 2596 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [0,2,0,0,0,0|1,0,1]=4 2597 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|2,0,0]=4 2599 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|2,0,0]=4 2600 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|1,0,0]=3 2601 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|1,0,0]=3 2602 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,2,0,0,0,0|1,0,0]=3 2603 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|1,0,1]=4 2604 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|1,0,1]=4 2605 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|2,0,0]=4 2607 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|2,0,0]=4 2611 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,2,0,0,0,0|2,0,0]=4 2614 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,2,0,0,0,0|2,0,0]=4 2615 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|2,0,0]=4 2617 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|2,0,0]=4 2618 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,2,0,0,0,0|1,0,0]=3 2619 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|1,0,0]=3 2620 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|1,0,0]=3 2621 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|1,0,0]=3 2624 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,2,0,0,0,0|2,0,0]=4 2626 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,2,0,0,0,0|2,0,0]=4 2627 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,2,0,0,0,0|2,0,0]=4 2628 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,2,0,0,0,0|2,0,0]=4 2629 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|2,0,0]=4 2630 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|1,0,0]=3 2633 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|1,0,0]=3 2634 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,2,0,0,0,0|2,0,0]=4 2636 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|2,0,0]=4 2637 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|2,0,0]=4 2638 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|2,0,0]=4 2641 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|2,0,0]=4 2642 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|2,0,0]=4 2643 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|2,0,0]=4 2644 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|2,0,0]=4 2645 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|2,0,0]=4 2646 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|2,0,0]=4 2647 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|2,0,0]=4 2648 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|2,0,0]=4 2649 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,2,0,0,0,0|1,1,0]=4 2653 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,0]=3 2654 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|1,0,0]=3 2655 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|1,0,0]=3 2656 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,0]=3 2657 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,0]=3 2658 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,0]=3 2659 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,0]=3 2660 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|0,0,0]=2 2661 B7R0.5 COCC(O)C(C)C MCULE-3818851772 [0,2,0,0,0,0|1,0,1]=4 2662 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,0]=3 2663 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,0]=3 2664 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,0]=3 2665 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,0]=3 2666 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,0]=3 2667 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,0]=3 2668 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,0]=3 2669 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,0]=3 2670 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|1,1,0]=4 2671 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,1,0]=4 2672 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,1,0]=4 2673 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,1,0]=4 2674 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|1,1,0]=4 2675 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|1,0,1]=4 2676 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|1,0,1]=4 2677 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|1,1,0]=4 2678 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|1,1,0]=4 2679 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|1,1,0]=4 2680 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|1,1,0]=4 2681 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|1,1,0]=4 2682 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|1,1,0]=4 2683 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|2,0,0]=4 2684 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|2,0,0]=4 2685 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|2,0,0]=4 2686 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|2,0,0]=4 2687 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|2,0,0]=4 2688 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|2,0,0]=4 2689 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|2,0,0]=4 2690 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|2,0,0]=4 2691 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,0]=3 2692 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,0]=3 2693 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|1,1,0]=4 2694 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|1,1,0]=4 2695 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|1,0,0]=3 2696 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|2,0,0]=4 2697 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|2,0,0]=4 2698 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|2,0,0]=4 2699 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|2,0,0]=4 2700 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|2,0,0]=4 2701 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|2,0,0]=4 2702 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|2,0,0]=4 2703 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|2,0,0]=4 2704 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|2,0,0]=4 2705 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,0]=3 2706 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,0]=3 2707 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|2,0,0]=4 2708 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|2,0,0]=4 2709 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|2,0,0]=4 2710 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|2,0,0]=4 2711 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,0]=3 2712 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|2,0,0]=4 2713 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|2,0,0]=4 2714 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|2,0,0]=4 2715 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|2,0,0]=4 2716 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|2,0,0]=4 2717 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|2,0,0]=4 2718 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|2,0,0]=4 2719 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|2,0,0]=4 2720 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|2,0,0]=4 2721 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,0]=3 2722 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,0]=3 2723 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|1,0,0]=3 2724 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|2,0,0]=4 2725 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|2,0,0]=4 2726 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|2,0,0]=4 2727 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|2,0,0]=4 2728 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,0]=3 2729 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,0]=3 2730 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|1,1,0]=4 2731 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|1,1,0]=4 2732 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|1,1,0]=4 2733 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|2,0,0]=4 2734 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|2,0,0]=4 2735 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,0]=3 2736 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,0]=3 2737 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|1,1,0]=4 2738 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|1,1,0]=4 2739 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,2,0,0,0,0|2,0,0]=4 2740 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,2,0,0,0,0|2,0,0]=4 2741 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,2,0,0,0,0|2,0,0]=4 2742 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|2,0,0]=4 2743 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|0,0,0]=2 2744 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|2,0,0]=4 2745 B7R0.7 C#CC[C@@H](O)COC MCULE-5751153207 [0,2,0,0,0,0|1,0,1]=4 2746 B7R0.7 C#CC[C@H](O)COC MCULE-1465786417 [0,2,0,0,0,0|1,0,1]=4 2747 B7R0.7 C=CCC(N)COC MCULE-6306522587 [0,2,0,0,0,0|2,0,0]=4 2748 B7R0.7 C=CCC(O)CC=C MCULE-5356579850 [0,2,0,0,0,0|2,0,0]=4 2749 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [0,2,0,0,0,0|2,0,0]=4 2750 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [0,2,0,0,0,0|2,0,0]=4 2751 B7R0.7 CCCC(O)CCO MCULE-6957178966 [0,2,0,0,0,0|1,0,1]=4 2752 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [0,2,0,0,0,0|2,0,0]=4 2753 B7R0.7 CNCC(O)COC MCULE-8497493216 [0,2,0,0,0,0|1,0,1]=4 2754 B7R0.7 COCC(C)N=C=O MCULE-5875044784 [0,2,0,0,0,0|1,0,1]=4 2755 B7R0.7 COCC(O)CCN MCULE-9524454931 [0,2,0,0,0,0|1,0,1]=4 2756 B7R0.7 COCC(O)COC MCULE-5364514636 [0,2,0,0,0,0|0,0,2]=4 2757 B7R0.7 COCC(O)CON MCULE-3159534337 [0,2,0,0,0,0|0,0,2]=4 2758 B7R0.7 OCCC(O)CCO MCULE-1162803524 [0,2,0,0,0,0|0,0,2]=4 2759 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|1,0,1]=4 2760 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|1,0,1]=4 2761 B7R0.10 C=CC(O)C(O)C=C MCULE-2505322919 [0,2,0,0,0,0|1,0,0]=3 2762 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,2,0,0,0,0|1,0,0]=3 2763 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,2,0,0,0,0|2,0,0]=4 2764 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|2,0,0]=4 2765 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,2,0,0,0,0|2,0,0]=4 2766 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,2,0,0,0,0|2,0,0]=4 2767 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,2,0,0,0,0|2,0,0]=4 2768 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,2,0,0,0,0|2,0,0]=4 2769 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|2,0,0]=4 2770 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [0,2,0,0,0,0|1,0,1]=4 2771 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|2,0,0]=4 2772 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,2,0,0,0,0|2,0,0]=4 2773 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,2,0,0,0,0|2,0,0]=4 2774 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|2,0,0]=4 2775 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|2,0,0]=4 2776 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|2,0,0]=4 2777 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|2,0,0]=4 2778 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|2,0,0]=4 2779 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|1,0,0]=3 2780 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,2,0,0,0,0|1,0,1]=4 2781 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,2,0,0,0,0|1,0,1]=4 2782 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|2,0,0]=4 2783 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|2,0,0]=4 2784 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|2,0,0]=4 2785 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|2,0,0]=4 2786 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|2,0,0]=4 2787 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|1,0,0]=3 2788 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|1,0,0]=3 2789 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|2,0,0]=4 2790 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|2,0,0]=4 2791 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|2,0,0]=4 2792 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|2,0,0]=4 2793 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|2,0,0]=4 2794 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|1,0,0]=3 2795 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|1,0,0]=3 2796 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,2,0,0,0,0|2,0,0]=4 2797 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,2,0,0,0,0|2,0,0]=4 2798 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,2,0,0,0,0|1,0,0]=3 2799 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,2,0,0,0,0|1,0,0]=3 2800 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,2,0,0,0,0|1,0,0]=3 2801 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,2,0,0,0,0|2,0,0]=4 2802 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,2,0,0,0,0|2,0,0]=4 2803 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|1,0,0]=3 2804 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|1,0,0]=3 2805 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|1,0,1]=4 2806 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,2,0,0,0,0|2,0,0]=4 2807 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,2,0,0,0,0|2,0,0]=4 2808 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|2,0,0]=4 2809 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|2,0,0]=4 2810 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|1,0,0]=3 2811 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|1,0,0]=3 2812 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|1,1,0]=4 2813 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 2814 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,2,0,0,0,0|2,0,0]=4 2815 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|1,0,0]=3 2816 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|2,0,0]=4 2817 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|2,0,0]=4 2818 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|1,0,0]=3 2819 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|2,0,0]=4 2820 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|2,0,0]=4 2821 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|2,0,0]=4 2823 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|2,0,0]=4 2824 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|2,0,0]=4 2825 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|2,0,0]=4 2826 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|2,0,0]=4 2827 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|1,0,0]=3 2828 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|1,0,0]=3 2829 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|1,0,0]=3 2830 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|1,0,0]=3 2831 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|1,1,0]=4 2832 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|1,1,0]=4 2833 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|1,1,0]=4 2834 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|1,1,0]=4 2835 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,2,0,0,0,0|1,0,1]=4 2836 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|1,0,0]=3 2837 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|1,0,0]=3 2838 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|1,0,0]=3 2839 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|0,0,0]=2 2840 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|0,0,0]=2 2841 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|2,0,0]=4 2842 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|1,0,0]=3 2843 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|1,0,0]=3 2844 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,2,0,0,0,0|2,0,0]=4 2845 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,2,0,0,0,0|2,0,0]=4 2846 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|2,0,0]=4 2847 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|2,0,0]=4 2848 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|1,0,0]=3 2849 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|1,0,0]=3 2850 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|2,0,0]=4 2851 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|2,0,0]=4 2852 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|2,0,0]=4 2853 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|2,0,0]=4 2854 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|2,0,0]=4 2855 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|2,0,0]=4 2856 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|2,0,0]=4 2857 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|2,0,0]=4 2858 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|2,0,0]=4 2859 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|2,0,0]=4 2860 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|2,0,0]=4 2861 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|2,0,0]=4 2862 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|1,0,0]=3 2863 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|1,0,0]=3 2864 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|1,0,0]=3 2865 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|1,0,0]=3 2866 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|1,1,0]=4 2867 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|1,1,0]=4 2868 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|1,1,0]=4 2869 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|1,1,0]=4 2870 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|1,0,0]=3 2871 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|1,0,0]=3 2872 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|1,0,0]=3 2873 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|1,0,0]=3 2874 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|0,0,0]=2 2875 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|0,0,0]=2 2876 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|1,0,0]=3 2877 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|1,0,1]=4 2878 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,2,0,0,0,0|2,0,0]=4 2879 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,2,0,0,0,0|2,0,0]=4 2880 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|2,0,0]=4 2881 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|2,0,0]=4 2882 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|1,0,0]=3 2883 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|1,0,0]=3 2884 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|2,0,0]=4 2885 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|2,0,0]=4 2886 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|2,0,0]=4 2887 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|2,0,0]=4 2888 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|1,0,0]=3 2889 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|1,0,0]=3 2890 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|1,0,0]=3 2891 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|1,0,0]=3 2892 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|1,1,0]=4 2893 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|1,1,0]=4 2894 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|1,1,0]=4 2895 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|1,1,0]=4 2896 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|1,0,0]=3 2897 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|1,0,0]=3 2898 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|0,0,0]=2 2899 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|0,0,0]=2 2900 B7R0.10 COC(C)C(O)C#N MCULE-7134393596 [0,2,0,0,0,0|1,0,1]=4 2901 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|2,0,0]=4 2902 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [0,2,0,0,0,0|1,0,1]=4 2903 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [0,2,0,0,0,0|1,0,1]=4 2904 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,2,0,0,0,0|1,0,0]=3 2905 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,2,0,0,0,0|1,0,0]=3 2906 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,2,0,0,0,0|1,1,0]=4 2907 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|0,0,0]=2 2908 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|0,0,0]=2 2909 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|0,0,0]=2 2910 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|0,0,0]=2 2911 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,2,0,0,0,0|0,0,0]=2 2912 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|0,0,0]=2 2913 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|0,0,0]=2 2914 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|0,0,0]=2 2915 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|0,0,0]=2 2916 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|0,0,0]=2 2917 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|0,0,0]=2 2918 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|0,0,0]=2 2919 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [0,2,0,0,0,0|1,0,1]=4 2920 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [0,2,0,0,0,0|1,0,1]=4 2921 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [0,2,0,0,0,0|0,1,1]=4 2922 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [0,2,0,0,0,0|0,0,2]=4 2923 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [0,2,0,0,0,0|0,0,2]=4 2924 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [0,2,0,0,0,0|0,0,2]=4 2925 B7R0.10 OC[C@@H](O)[C@H](S)CS MCULE-1423721945 [0,2,0,0,0,0|0,1,1]=4 2926 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [0,2,0,0,0,0|0,0,2]=4 2927 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [0,2,0,0,0,0|0,0,2]=4 2928 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [0,2,0,0,0,0|0,0,2]=4 2929 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [0,2,0,0,0,0|0,1,1]=4 2930 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [0,2,0,0,0,0|0,1,1]=4 2931 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [0,2,0,0,0,0|1,0,1]=4 2932 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [0,2,0,0,0,0|1,0,1]=4 2933 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [0,2,0,0,0,0|0,1,1]=4 2934 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [0,2,0,0,0,0|0,1,1]=4 2935 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [0,2,0,0,0,0|0,1,1]=4 2936 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [0,2,0,0,0,0|0,1,1]=4 2937 B7R0.11 C#CC(C)(O)COC MCULE-1647227373 [0,2,0,0,0,0|1,0,1]=4 2938 B7R0.11 C=CC(C)(C)CCO MCULE-8304657692 [0,2,0,0,0,0|2,0,0]=4 2939 B7R0.11 C=CCC(C)(C)C=O MCULE-7775740469 [0,2,0,0,0,0|2,0,0]=4 2940 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [0,2,0,0,0,0|2,0,0]=4 2941 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [0,2,0,0,0,0|2,0,0]=4 2942 B7R0.11 C=CCC(F)(F)CO MCULE-7708161353 [0,2,0,0,0,0|2,0,0]=4 2943 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [0,2,0,0,0,0|1,0,0]=3 2944 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [0,2,0,0,0,0|0,0,2]=4 2945 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [0,2,0,0,0,0|2,0,0]=4 2946 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [0,2,0,0,0,0|1,0,1]=4 2947 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [0,2,0,0,0,0|2,0,0]=4 2948 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [0,2,0,0,0,0|1,0,1]=4 2949 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [0,2,0,0,0,0|2,0,0]=4 2950 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [0,2,0,0,0,0|1,0,1]=4 2951 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [0,2,0,0,0,0|1,0,0]=3 2952 B7R0.11 COCC(C)(O)CN MCULE-8403551049 [0,2,0,0,0,0|1,0,1]=4 2953 B7R0.11 COCC(C)(O)CN MCULE-8479817538 [0,2,0,0,0,0|1,0,1]=4 2954 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [0,2,0,0,0,0|1,0,0]=3 2955 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [0,2,0,0,0,0|2,0,0]=4 2956 B7R0.12 CCCC(CO)CO MCULE-2372919180 [0,2,0,0,0,0|1,0,1]=4 2957 B7R0.12 CCCC(CO)OC MCULE-9427398002 [0,2,0,0,0,0|1,0,1]=4 2958 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [0,2,0,0,0,0|1,0,1]=4 2959 B7R0.12 COC(CO)CCN MCULE-1177905249 [0,2,0,0,0,0|1,0,1]=4 2960 B7R0.12 COCC(C#N)OC MCULE-4608647789 [0,2,0,0,0,0|1,0,1]=4 2961 B7R0.12 COCC(CBr)OC MCULE-9551672317 [0,2,0,0,0,0|1,0,1]=4 2962 B7R0.12 COCC(CN)OC MCULE-4660699329 [0,2,0,0,0,0|1,0,1]=4 2963 B7R0.12 COCC(CO)OC MCULE-6775038884 [0,2,0,0,0,0|0,0,2]=4 2964 B7R0.12 COCC(OC)OC MCULE-1839791643 [0,2,0,0,0,0|2,0,0]=4 2965 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [0,2,0,0,0,0|0,0,2]=4 2966 B7R0.12 COC[C@H](CN)OC MCULE-7911151873 [0,2,0,0,0,0|1,0,1]=4 2967 B7R0.12 NCCC(CO)CO MCULE-7028267284 [0,2,0,0,0,0|1,0,1]=4 2968 B7R0.12 NCCC(CO)CO MCULE-8865812482 [0,2,0,0,0,0|1,0,1]=4 2969 B7R0.12 OCCC(CO)CO MCULE-7198799967 [0,2,0,0,0,0|0,0,2]=4 2970 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|1,0,1]=4 2971 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,2,0,0,0,0|1,0,0]=3 2972 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,2,0,0,0,0|2,0,0]=4 2973 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,2,0,0,0,0|2,0,0]=4 2974 B7R0.13 CC(Br)(CO)N(=O)=O MCULE-7018173037 [0,2,0,0,0,0|2,0,0]=4 2975 B7R0.13 CC(C)(C=O)C(F)F MCULE-3442956000 [0,2,0,0,0,0|2,0,0]=4 2976 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,2,0,0,0,0|2,0,0]=4 2977 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,2,0,0,0,0|2,0,0]=4 2978 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,2,0,0,0,0|2,0,0]=4 2979 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,2,0,0,0,0|2,0,0]=4 2980 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,2,0,0,0,0|2,0,0]=4 2981 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,2,0,0,0,0|2,0,0]=4 2982 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,2,0,0,0,0|2,0,0]=4 2983 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|2,0,0]=4 2984 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|2,0,0]=4 2985 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|1,0,0]=3 2986 B7R0.13 CC(C)(CO)N(=O)=O MCULE-6787663159 [0,2,0,0,0,0|2,0,0]=4 2987 B7R0.13 CC(C)C(C)(C)C=O MCULE-5719710912 [0,2,0,0,0,0|2,0,0]=4 2988 B7R0.13 CC(C)C(C)(O)CO MCULE-7640109698 [0,2,0,0,0,0|1,0,1]=4 2989 B7R0.13 CC(C)C(Cl)(Cl)C=O MCULE-3185088427 [0,2,0,0,0,0|2,0,0]=4 2990 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,2,0,0,0,0|2,0,0]=4 2991 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|1,0,0]=3 2992 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|1,0,0]=3 2993 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|1,1,0]=4 2994 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|1,1,0]=4 2995 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|1,0,0]=3 2996 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|1,0,0]=3 2997 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|0,0,0]=2 2998 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,2,0,0,0,0|2,0,0]=4 2999 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|2,0,0]=4 3000 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,2,0,0,0,0|2,0,0]=4 3001 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,2,0,0,0,0|2,0,0]=4 3002 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|2,0,0]=4 3003 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,2,0,0,0,0|2,0,0]=4 3004 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|2,0,0]=4 3005 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|2,0,0]=4 3006 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|2,0,0]=4 3007 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,2,0,0,0,0|1,0,0]=3 3008 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,2,0,0,0,0|1,0,0]=3 3009 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,2,0,0,0,0|1,0,0]=3 3010 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|1,0,0]=3 3011 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [0,2,0,0,0,0|1,0,1]=4 3012 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|2,0,0]=4 3013 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|2,0,0]=4 3014 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,2,0,0,0,0|2,0,0]=4 3015 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|2,0,0]=4 3016 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|2,0,0]=4 3017 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|2,0,0]=4 3018 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|2,0,0]=4 3019 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|2,0,0]=4 3020 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|2,0,0]=4 3021 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|2,0,0]=4 3022 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|2,0,0]=4 3023 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|1,0,0]=3 3024 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|1,0,0]=3 3025 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|1,0,0]=3 3026 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|1,1,0]=4 3027 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|1,1,0]=4 3028 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|1,1,0]=4 3029 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|1,1,0]=4 3030 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|1,0,0]=3 3031 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|1,0,0]=3 3032 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|1,0,0]=3 3033 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|1,0,0]=3 3034 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|1,1,0]=4 3035 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|1,1,0]=4 3036 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|1,1,0]=4 3037 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|1,1,0]=4 3038 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|1,0,0]=3 3039 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|1,0,0]=3 3040 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,2,0,0,0,0|2,0,0]=4 3041 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,2,0,0,0,0|2,0,0]=4 3042 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|2,0,0]=4 3043 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|1,0,0]=3 3047 B7R0.13 O=N(=O)C(Br)(Br)CO MCULE-5004074369 [0,2,0,0,0,0|2,0,0]=4 3048 B7R0.14 C=CC(C)C(C)(C)O MCULE-5525082295 [0,2,0,0,0,0|2,0,0]=4 3049 B7R0.14 C=CC(O)C(C)(C)C MCULE-4612864713 [0,2,0,0,0,0|2,0,0]=4 3050 B7R0.14 CC(C)(C)C(O)CO MCULE-2952507658 [0,2,0,0,0,0|1,0,1]=4 3051 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [0,2,0,0,0,0|1,0,1]=4 3052 B7R0.14 CC(C=O)C(C)(C)C MCULE-9604117107 [0,2,0,0,0,0|2,0,0]=4 3053 B7R0.14 CC(C=O)C(F)(F)F MCULE-3900613203 [0,2,0,0,0,0|2,0,0]=4 3054 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,2,0,0,0,0|2,0,0]=4 3055 B7R0.14 CCC(O)S(=O)(=O)[O-] MCULE-2259834066 [0,2,0,0,0,0|2,0,0]=4 3056 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,2,0,0,0,0|2,0,0]=4 3057 B7R0.14 O=S(=O)([O-])C(O)CCl MCULE-1261953230 [0,2,0,0,0,0|2,0,0]=4 3058 B7R0.14 OCC(O)C(F)(F)F MCULE-7099011877 [0,2,0,0,0,0|1,0,1]=4 3059 B7R0.14 OC[C@@H](O)C(F)(F)F MCULE-1547382437 [0,2,0,0,0,0|1,0,1]=4 3060 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|1,0,1]=4 3061 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|0,0,0]=2 3062 B7R0.15 CC(C)C(C#N)C=O MCULE-7007501654 [0,2,0,0,0,0|2,0,0]=4 3063 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [0,2,0,0,0,0|1,0,1]=4 3064 B7R0.15 CC(C)C(CO)ON MCULE-7037439016 [0,2,0,0,0,0|1,0,1]=4 3065 B7R0.15 CC(C)C(CO)ON MCULE-9325437885 [0,2,0,0,0,0|1,0,1]=4 3066 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [0,2,0,0,0,0|0,0,2]=4 3067 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|2,0,0]=4 3068 B7R0.15 CCC(C=O)C(C)C MCULE-4336481271 [0,2,0,0,0,0|2,0,0]=4 3069 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,2,0,0,0,0|2,0,0]=4 3070 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,2,0,0,0,0|2,0,0]=4 3071 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,2,0,0,0,0|2,0,0]=4 3072 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|1,0,0]=3 3076 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|1,0,0]=3 3077 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,2,0,0,0,0|2,0,0]=4 3078 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,2,0,0,0,0|2,0,0]=4 3079 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|2,0,0]=4 3080 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|1,0,0]=3 3083 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|1,0,0]=3 3084 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|1,0,0]=3 3085 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|1,1,0]=4 3086 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|2,0,0]=4 3087 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|2,0,0]=4 3088 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|2,0,0]=4 3089 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|2,0,0]=4 3090 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|2,0,0]=4 3091 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|1,0,0]=3 3092 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,2,0,0,0,0|2,0,0]=4 3093 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,2,0,0,0,0|2,0,0]=4 3094 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,2,0,0,0,0|2,0,0]=4 3095 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,2,0,0,0,0|2,0,0]=4 3096 B7R0.15 CN(C)C(CO)CO MCULE-6589056011 [0,2,0,0,0,0|2,0,0]=4 3097 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,2,0,0,0,0|2,0,0]=4 3098 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|1,0,0]=3 3099 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|1,0,0]=3 3100 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|1,1,0]=4 3101 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|1,1,0]=4 3102 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|2,0,0]=4 3103 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|2,0,0]=4 3104 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|1,0,0]=3 3105 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|1,0,0]=3 3106 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|1,0,0]=3 3107 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|1,0,0]=3 3108 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|1,1,0]=4 3109 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|1,1,0]=4 3110 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|1,0,0]=3 3111 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|1,0,0]=3 3112 B7R0.15 COC(C=O)C(C)C MCULE-9722853501 [0,2,0,0,0,0|1,0,0]=3 3113 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,0]=3 3114 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,2,0,0,0,0|1,0,0]=3 3115 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,0]=3 3116 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,0]=3 3117 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [0,2,0,0,0,0|1,0,1]=4 3118 B7R0.15 COC(CO)C(C)C MCULE-8695619177 [0,2,0,0,0,0|1,0,1]=4 3119 B7R0.15 COC(CO)C(C)N MCULE-9816044841 [0,2,0,0,0,0|1,0,1]=4 3120 B7R0.15 COC(OC)C(=O)C MCULE-9746788369 [0,2,0,0,0,0|2,0,0]=4 3121 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,2,0,0,0,0|2,0,0]=4 3122 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|2,0,0]=4 3123 B7R0.15 COC(OC)C(=O)[O-] MCULE-5345464135 [0,2,0,0,0,0|2,0,0]=4 3124 B7R0.15 COC(OC)C(C)O MCULE-9058387582 [0,2,0,0,0,0|2,0,0]=4 3125 B7R0.15 COC(OC)[C@@H](C)O MCULE-2524252240 [0,2,0,0,0,0|2,0,0]=4 3126 B7R0.15 COC(OC)[C@H](C)O MCULE-2577056762 [0,2,0,0,0,0|2,0,0]=4 3127 B7R0.15 CO[C@@H](C=O)C(C)C MCULE-6654651958 [0,2,0,0,0,0|1,0,0]=3 3128 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,0]=3 3129 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,0]=3 3130 B7R0.15 CO[C@@H](CO)C(C)C MCULE-3676351737 [0,2,0,0,0,0|1,0,1]=4 3131 B7R0.15 CO[C@H](C=O)C(C)C MCULE-4139034238 [0,2,0,0,0,0|1,0,0]=3 3132 B7R0.15 CO[C@H](CO)C(C)C MCULE-2189146072 [0,2,0,0,0,0|1,0,1]=4 3133 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|2,0,0]=4 3134 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,2,0,0,0,0|1,0,0]=3 3135 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|1,0,0]=3 3136 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|1,0,0]=3 3137 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|1,0,0]=3 3138 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|1,0,0]=3 3139 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|1,0,0]=3 3140 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|2,0,0]=4 3141 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|0,2,0]=4 3142 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|1,0,0]=3 3143 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [0,2,0,0,0,0|1,0,0]=3 3144 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,2,0,0,0,0|2,0,0]=4 3145 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,2,0,0,0,0|2,0,0]=4 3146 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,2,0,0,0,0|2,0,0]=4 3147 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|1,0,0]=3 3148 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,2,0,0,0,0|1,0,1]=4 3149 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,2,0,0,0,0|2,0,0]=4 3150 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,2,0,0,0,0|2,0,0]=4 3151 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,2,0,0,0,0|2,0,0]=4 3152 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,2,0,0,0,0|2,0,0]=4 3153 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,2,0,0,0,0|2,0,0]=4 3154 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,2,0,0,0,0|2,0,0]=4 3155 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,2,0,0,0,0|2,0,0]=4 3156 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,2,0,0,0,0|2,0,0]=4 3157 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,2,0,0,0,0|2,0,0]=4 3158 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,2,0,0,0,0|2,0,0]=4 3159 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,2,0,0,0,0|2,0,0]=4 3160 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,2,0,0,0,0|2,0,0]=4 3161 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,2,0,0,0,0|2,0,0]=4 3162 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,2,0,0,0,0|2,0,0]=4 3163 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|1,0,0]=3 3164 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|1,0,0]=3 3165 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,2,0,0,0,0|2,0,0]=4 3166 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,2,0,0,0,0|2,0,0]=4 3167 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,2,0,0,0,0|2,0,0]=4 3168 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,2,0,0,0,0|2,0,0]=4 3169 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,2,0,0,0,0|2,0,0]=4 3170 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,2,0,0,0,0|2,0,0]=4 3171 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,2,0,0,0,0|2,0,0]=4 3172 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,2,0,0,0,0|2,0,0]=4 3173 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|1,0,0]=3 3174 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|1,0,0]=3 3175 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,2,0,0,0,0|2,0,0]=4 3176 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,2,0,0,0,0|2,0,0]=4 3177 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,2,0,0,0,0|2,0,0]=4 3178 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,2,0,0,0,0|2,0,0]=4 3179 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,2,0,0,0,0|2,0,0]=4 3180 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,2,0,0,0,0|2,0,0]=4 3181 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,2,0,0,0,0|2,0,0]=4 3182 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,2,0,0,0,0|2,0,0]=4 3183 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,2,0,0,0,0|2,0,0]=4 3184 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,2,0,0,0,0|2,0,0]=4 3185 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,2,0,0,0,0|2,0,0]=4 3186 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,2,0,0,0,0|2,0,0]=4 3187 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,2,0,0,0,0|2,0,0]=4 3188 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,2,0,0,0,0|2,0,0]=4 3189 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|1,0,0]=3 3190 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|1,0,0]=3 3191 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,2,0,0,0,0|2,0,0]=4 3192 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,2,0,0,0,0|2,0,0]=4 3193 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,2,0,0,0,0|2,0,0]=4 3194 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|1,0,0]=3 3195 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|1,0,0]=3 3196 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|1,0,0]=3 3197 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [0,2,0,0,0,0|2,0,0]=4 3198 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,2,0,0,0,0|1,0,0]=3 3199 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,2,0,0,0,0|1,0,0]=3 3200 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|1,0,0]=3 3201 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|1,0,0]=3 3202 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,2,0,0,0,0|2,0,0]=4 3203 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|1,0,0]=3 3204 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|1,0,0]=3 3205 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|1,0,0]=3 3206 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|1,0,0]=3 3207 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,2,0,0,0,0|1,0,0]=3 3208 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,2,0,0,0,0|1,0,0]=3 3209 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,2,0,0,0,0|1,0,0]=3 3210 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,2,0,0,0,0|1,0,0]=3 3211 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,2,0,0,0,0|1,0,0]=3 3212 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,2,0,0,0,0|1,0,0]=3 3213 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|1,0,0]=3 3214 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|1,0,0]=3 3215 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|1,0,0]=3 3216 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|1,0,0]=3 3217 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|1,0,0]=3 3218 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|0,0,0]=2 3219 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,2,0,0,0,0|2,0,0]=4 3220 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,2,0,0,0,0|2,0,0]=4 3221 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|1,0,0]=3 3222 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,2,0,0,0,0|2,0,0]=4 3223 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|1,0,0]=3 3224 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|1,0,0]=3 3225 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,2,0,0,0,0|2,0,0]=4 3226 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|1,0,0]=3 3227 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|1,0,0]=3 3228 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|1,0,0]=3 3229 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|1,0,0]=3 3230 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|1,0,0]=3 3231 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|1,0,0]=3 3232 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,2,0,0,0,0|1,0,1]=4 3233 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,2,0,0,0,0|1,0,1]=4 3234 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,2,0,0,0,0|1,0,1]=4 3235 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,2,0,0,0,0|0,0,1]=3 3236 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,2,0,0,0,0|1,0,0]=3 3237 B7R0.18 C=CC(C)(CC)CO MCULE-3218490864 [0,2,0,0,0,0|2,0,0]=4 3238 B7R0.18 CC(C=O)(CO)CO MCULE-2216366062 [0,2,0,0,0,0|0,0,0]=2 3239 B7R0.18 CC(CN)(CO)CO MCULE-8513833512 [0,2,0,0,0,0|1,0,1]=4 3240 B7R0.18 CC(CO)(CO)CBr MCULE-5696396166 [0,2,0,0,0,0|1,0,1]=4 3241 B7R0.18 CC(CO)(CO)CO MCULE-1228441837 [0,2,0,0,0,0|0,0,2]=4 3242 B7R0.18 CCC(C)(C=O)CC MCULE-8427357130 [0,2,0,0,0,0|2,0,0]=4 3243 B7R0.18 CCC(C)(C=O)OC MCULE-8307303148 [0,2,0,0,0,0|1,0,0]=3 3244 B7R0.18 CCC(C)(CO)CO MCULE-6918244309 [0,2,0,0,0,0|1,0,1]=4 3245 B7R0.18 CCC(C)(CO)OC MCULE-2048434225 [0,2,0,0,0,0|1,0,1]=4 3246 B7R0.18 CCC(N)(CO)CO MCULE-6627376273 [0,2,0,0,0,0|1,0,1]=4 3247 B7R0.18 CCC(O)(CC)CO MCULE-5622837545 [0,2,0,0,0,0|1,0,1]=4 3248 B7R0.18 COC(C)(CN)CO MCULE-1091911796 [0,2,0,0,0,0|1,0,1]=4 3249 B7R0.18 COC(N)(CO)CO MCULE-3562349590 [0,2,0,0,0,0|0,0,2]=4 3250 B7R0.18 COC(N)(CO)CO MCULE-5361347592 [0,2,0,0,0,0|0,0,2]=4 3251 B7R0.18 NC(CO)(CO)CO MCULE-1491189847 [0,2,0,0,0,0|0,0,2]=4 3252 B7R0.18 NC(CO)(CO)CO MCULE-2267999286 [0,2,0,0,0,0|0,0,2]=4 3253 B7R0.18 NC(CO)(CO)CO MCULE-4100030243 [0,2,0,0,0,0|0,0,2]=4 3254 B7R0.18 NC(CO)(CO)CO MCULE-4852633554 [0,2,0,0,0,0|0,0,2]=4 3255 B7R0.18 NC(CO)(CO)CO MCULE-6369744326 [0,2,0,0,0,0|0,0,2]=4 3256 B7R0.18 NC(CO)(CO)CO MCULE-7300085951 [0,2,0,0,0,0|0,0,2]=4 3257 B7R0.18 NC(CO)(CO)CO MCULE-8252586319 [0,2,0,0,0,0|0,0,2]=4 3258 B7R0.18 NC(CO)(CO)CO MCULE-8592789920 [0,2,0,0,0,0|0,0,2]=4 3259 B7R0.18 NC(CO)(CO)CO MCULE-9200014500 [0,2,0,0,0,0|0,0,2]=4 3260 B7R0.18 [NH3+]C(CO)(CO)CO MCULE-6464912245 [0,2,0,0,0,0|0,0,2]=4 3261 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,1,0,0|1,0,1]=4 3262 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|1,0,1]=4 3263 B5R1.2 ClC1COC1 MCULE-7266812470 [1,0,0,1,0,0|1,0,1]=4 3264 B5R1.2 FC1COC1 MCULE-7899811313 [1,0,0,1,0,0|1,0,1]=4 3265 B5R1.2 IC1COC1 MCULE-6736781201 [1,0,0,1,0,0|1,0,1]=4 3266 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,1,0,0|1,0,1]=4 3267 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,1,0,0|1,0,1]=4 3268 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|1,0,1]=4 3269 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,1]=4 3270 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,1,0,0|1,0,1]=4 3271 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,1]=4 3272 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,1]=4 3273 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,1,0,0|0,0,1]=3 3274 B5R1.2 OC1CSC1 MCULE-6759275460 [1,0,0,1,0,0|0,1,1]=4 3275 B5R1.2 SC1COC1 MCULE-2175099379 [1,0,0,1,0,0|0,1,1]=4 3276 B5R1.3 BrCC1CO1 MCULE-1054784183 [1,0,0,1,0,0|1,0,1]=4 3277 B5R1.3 C1(CO1)CCl MCULE-2239256431 [1,0,0,1,0,0|1,0,1]=4 3278 B5R1.3 C=CC1CC1 MCULE-4323158851 [1,0,0,1,0,0|2,0,0]=4 3279 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|1,0,0]=3 3280 B5R1.3 CCC1CO1 MCULE-4316722229 [1,0,0,1,0,0|1,0,1]=4 3281 B5R1.3 CCC1CO1 MCULE-8341828978 [1,0,0,1,0,0|1,0,1]=4 3282 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [1,0,0,1,0,0|1,0,1]=4 3283 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [1,0,0,1,0,0|1,0,1]=4 3284 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [1,0,0,1,0,0|1,0,1]=4 3285 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [1,0,0,1,0,0|1,0,1]=4 3286 B5R1.3 ClCC1CO1 MCULE-9759519789 [1,0,0,1,0,0|1,0,1]=4 3287 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [1,0,0,1,0,0|1,0,1]=4 3288 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [1,0,0,1,0,0|1,0,1]=4 3289 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [1,0,0,1,0,0|1,0,1]=4 3290 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [1,0,0,1,0,0|1,0,1]=4 3291 B5R1.3 FCC1CO1 MCULE-6156138745 [1,0,0,1,0,0|1,0,1]=4 3292 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [1,0,0,1,0,0|1,0,1]=4 3293 B5R1.3 ICC1CO1 MCULE-6993621560 [1,0,0,1,0,0|1,0,1]=4 3294 B5R1.3 O=CC1CC1 MCULE-9773190262 [1,0,0,1,0,0|1,0,0]=3 3295 B5R1.3 OCC1CC1 MCULE-4492474357 [1,0,0,1,0,0|1,0,1]=4 3296 B5R1.3 OCC1CO1 MCULE-2158628585 [1,0,0,1,0,0|0,0,1]=3 3297 B5R1.3 OCC1CO1 MCULE-4063620133 [1,0,0,1,0,0|0,0,1]=3 3298 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [1,0,0,1,0,0|0,0,1]=3 3299 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [1,0,0,1,0,0|0,0,1]=3 3300 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [1,0,0,1,0,0|0,0,1]=3 3301 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [1,0,0,1,0,0|0,0,1]=3 3302 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|1,0,0]=3 3303 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|1,0,0]=3 3304 B5R1.4 CC1CC1O MCULE-2006758475 [1,0,0,1,0,0|1,0,1]=4 3305 B5R1.4 CC1OC1C MCULE-9780363671 [1,0,0,1,0,0|1,0,1]=4 3306 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,0,0,1,0,0|1,0,1]=4 3307 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,0,0,1,0,0|1,0,1]=4 3308 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,0,0,1,0,0|1,0,1]=4 3309 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,0,0,1,0,0|1,0,1]=4 3310 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,1]=4 3311 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,1]=4 3312 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,1]=4 3313 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,1]=4 3314 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,1]=4 3315 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,1]=4 3316 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,1]=4 3317 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,1]=4 3318 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,0,0,1,0,0|1,0,1]=4 3319 B5R1.5 CC1(CO1)C MCULE-4247049920 [1,0,0,1,0,0|1,0,1]=4 3320 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|2,0,0]=4 3321 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|2,0,0]=4 3322 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,1,0,0|1,0,1]=4 3323 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|2,0,0]=4 3324 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|1,0,1]=4 3325 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|1,0,0]=3 3326 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|2,0,0]=4 3327 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,1,0,0|1,0,1]=4 3328 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|1,0,1]=4 3329 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|1,0,1]=4 3330 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,1,0,0|2,0,0]=4 3331 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,1,0,0|2,0,0]=4 3332 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [0,1,0,1,0,0|1,0,1]=4 3333 B7R1.1 COC1CNOC1 MCULE-1407072401 [0,1,0,1,0,0|1,0,1]=4 3334 B7R1.1 COC1CNOC1 MCULE-3670243548 [0,1,0,1,0,0|1,0,1]=4 3335 B7R1.1 NCC1COCO1 MCULE-1657884847 [0,1,0,1,0,0|1,0,1]=4 3336 B7R1.1 NCC1COCO1 MCULE-9310217083 [0,1,0,1,0,0|1,0,1]=4 3337 B7R1.1 NOC1CCOC1 MCULE-1016688849 [0,1,0,1,0,0|1,0,1]=4 3338 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,1,0,0|1,0,1]=4 3339 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [0,1,0,1,0,0|2,0,0]=4 3340 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [0,1,0,1,0,0|2,0,0]=4 3341 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,1,0,1,0,0|1,0,0]=3 3342 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [0,1,0,1,0,0|2,0,0]=4 3343 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,1,0,1,0,0|1,0,0]=3 3344 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [0,1,0,1,0,0|1,1,0]=4 3345 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,1,0,1,0,0|1,0,0]=3 3346 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,1,0,1,0,0|1,0,0]=3 3347 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [0,1,0,1,0,0|1,0,1]=4 3348 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [0,1,0,1,0,0|1,0,1]=4 3349 B7R1.1 OCC1=CN=CO1 MCULE-5114487613 [0,1,0,1,0,0|1,0,1]=4 3350 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [0,1,0,1,0,0|1,0,1]=4 3351 B7R1.1 OCC1=CON=C1 MCULE-5122190603 [0,1,0,1,0,0|1,0,1]=4 3352 B7R1.1 OCC1=NC=CO1 MCULE-9104936820 [0,1,0,1,0,0|1,0,1]=4 3353 B7R1.1 OCC1=NC=NO1 MCULE-9715456804 [0,1,0,1,0,0|1,0,1]=4 3354 B7R1.1 OCC1=NOC=C1 MCULE-3216265153 [0,1,0,1,0,0|1,0,1]=4 3355 B7R1.1 OCC1=NON=C1 MCULE-7693226761 [0,1,0,1,0,0|1,0,1]=4 3356 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,1,0,1,0,0|2,0,0]=4 3357 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,1,0,1,0,0|2,0,0]=4 3358 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,1,0,1,0,0|2,0,0]=4 3359 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [0,1,0,1,0,0|2,0,0]=4 3360 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,1,0,1,0,0|1,0,1]=4 3361 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,1,0,1,0,0|1,0,1]=4 3362 B7R1.1 OCC1CCOC1 MCULE-8926405046 [0,1,0,1,0,0|1,0,1]=4 3363 B7R1.1 OCC1CCON1 MCULE-1199975481 [0,1,0,1,0,0|1,0,1]=4 3364 B7R1.1 OCC1CCON1 MCULE-4772487016 [0,1,0,1,0,0|1,0,1]=4 3365 B7R1.1 OCC1COCO1 MCULE-3470022742 [0,1,0,1,0,0|0,0,2]=4 3366 B7R1.1 OCC1OCCO1 MCULE-8334027179 [0,1,0,1,0,0|1,0,1]=4 3367 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,1,0,1,0,0|1,0,1]=4 3368 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,1,0,1,0,0|1,0,1]=4 3369 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [0,1,0,1,0,0|1,0,1]=4 3370 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [0,1,0,1,0,0|1,0,1]=4 3371 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,1,0,1,0,0|1,0,1]=4 3372 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,1,0,1,0,0|1,0,1]=4 3373 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [0,1,0,1,0,0|1,0,1]=4 3374 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [0,1,0,1,0,0|1,0,1]=4 3375 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,1,0,0|2,0,0]=4 3376 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,1,0,0|2,0,0]=4 3377 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|1,0,0]=3 3378 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,1,0,0|1,0,0]=3 3379 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,1,0,0|1,0,1]=4 3380 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,1,0,1,0,0|2,0,0]=4 3381 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,1,0,1,0,0|1,0,1]=4 3382 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,1,0,0|2,0,0]=4 3383 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,1,0,0|2,0,0]=4 3384 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,1,0,0|2,0,0]=4 3385 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|2,0,0]=4 3386 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,1,0,0|2,0,0]=4 3387 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,1,0,0|2,0,0]=4 3388 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|2,0,0]=4 3389 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|1,0,0]=3 3390 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,1,0,0|1,0,0]=3 3391 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|1,0,0]=3 3392 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,1,0,1,0,0|1,1,0]=4 3393 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,1,0,1,0,0|2,0,0]=4 3394 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,1,0,0|1,1,0]=4 3395 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,1,0,0|2,0,0]=4 3396 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,1,0,0|2,0,0]=4 3397 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|2,0,0]=4 3398 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,1,0,0|2,0,0]=4 3399 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,1,0,0|2,0,0]=4 3400 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|2,0,0]=4 3401 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|2,0,0]=4 3402 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|1,0,0]=3 3403 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|1,0,0]=3 3404 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,1,0,0|1,0,0]=3 3405 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,1,0,0|1,0,0]=3 3406 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|1,0,0]=3 3407 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|1,0,0]=3 3408 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,1,0,0|2,0,0]=4 3409 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,1,0,0|2,0,0]=4 3410 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,1,0,0|2,0,0]=4 3411 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|2,0,0]=4 3412 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,1,0,0|2,0,0]=4 3413 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,1,0,0|2,0,0]=4 3414 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|1,0,0]=3 3415 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,1,0,0|1,0,0]=3 3416 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,1,0,0|1,0,0]=3 3417 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|1,0,0]=3 3418 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|1,0,0]=3 3419 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,1,0,0|2,0,0]=4 3420 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,1,0,0|2,0,0]=4 3421 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,1,0,0|2,0,0]=4 3422 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,1,0,0|2,0,0]=4 3423 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,1,0,0|2,0,0]=4 3424 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,1,0,0|2,0,0]=4 3425 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,1,0,0|2,0,0]=4 3426 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,1,0,0|2,0,0]=4 3427 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,1,0,0|2,0,0]=4 3428 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|1,0,0]=3 3429 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|1,0,0]=3 3430 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|1,0,0]=3 3431 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|1,0,0]=3 3432 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,1,0,0|2,0,0]=4 3433 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,1,0,0|2,0,0]=4 3434 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,1,0,0|2,0,0]=4 3435 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,1,0,0|2,0,0]=4 3436 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,1,0,0|2,0,0]=4 3437 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|1,0,0]=3 3438 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|1,0,0]=3 3439 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|1,0,0]=3 3440 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|1,0,0]=3 3441 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,1,0,0|2,0,0]=4 3442 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,1,0,0|2,0,0]=4 3443 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,1,0,0|2,0,0]=4 3444 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,1,0,0|2,0,0]=4 3445 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,1,0,0|2,0,0]=4 3446 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,1,0,0|2,0,0]=4 3447 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,1,0,0|2,0,0]=4 3448 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,1,0,0|2,0,0]=4 3449 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|1,0,0]=3 3450 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|1,0,0]=3 3451 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|1,0,0]=3 3452 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|1,0,0]=3 3453 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|1,0,1]=4 3454 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,1,0,0|1,0,1]=4 3455 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,1,0,0|1,0,1]=4 3456 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,1,0,0|0,0,1]=3 3457 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,1,0,0|1,0,1]=4 3458 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,1,0,0|1,0,1]=4 3459 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,1,0,0|1,0,1]=4 3460 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,1,0,0|1,0,1]=4 3461 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|0,0,2]=4 3462 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|1,0,0]=3 3463 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,1,0,0|1,1,0]=4 3464 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|0,0,0]=2 3465 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|0,0,0]=2 3466 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,1,0,0|2,0,0]=4 3467 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,1,0,0|2,0,0]=4 3468 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,1,0,0|1,0,0]=3 3469 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,1,0,0|1,0,0]=3 3470 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|2,0,0]=4 3471 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|1,0,0]=3 3472 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,1,0,0|0,0,2]=4 3473 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,1,0,0|0,0,2]=4 3474 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,1,0,0|0,0,2]=4 3475 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|1,0,0]=3 3476 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|1,0,0]=3 3477 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|0,0,0]=2 3478 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|0,0,0]=2 3479 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|1,0,0]=3 3480 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|1,0,0]=3 3481 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,1,0,0|1,1,0]=4 3482 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,1,0,0|1,1,0]=4 3483 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|0,0,0]=2 3484 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|0,0,0]=2 3485 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|1,0,0]=3 3486 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|1,0,0]=3 3487 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,1,0,0|1,0,0]=3 3488 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,1,0,1,0,0|1,0,1]=4 3489 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,1,0,1,0,0|1,0,1]=4 3490 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,1,0,0|1,0,0]=3 3491 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,1,0,1,0,0|1,0,1]=4 3492 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,1,0,1,0,0|1,0,1]=4 3493 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,1,0,1,0,0|1,0,1]=4 3494 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,1,0,0|2,0,0]=4 3495 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,1,0,1,0,0|1,0,1]=4 3496 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,1,0,1,0,0|2,0,0]=4 3497 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [0,1,0,1,0,0|2,0,0]=4 3498 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [0,1,0,1,0,0|2,0,0]=4 3499 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,1,0,1,0,0|1,0,0]=3 3500 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [0,1,0,1,0,0|2,0,0]=4 3501 B7R1.3 OC1CCCOC1 MCULE-3820663957 [0,1,0,1,0,0|1,0,1]=4 3502 B7R1.3 OC1CCCOC1 MCULE-4349250540 [0,1,0,1,0,0|1,0,1]=4 3503 B7R1.3 OC1CCOCC1 MCULE-3789534226 [0,1,0,1,0,0|1,0,1]=4 3504 B7R1.3 OC1COCOC1 MCULE-1056094446 [0,1,0,1,0,0|0,0,2]=4 3505 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [0,1,0,1,0,0|1,0,1]=4 3506 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [0,1,0,1,0,0|1,0,1]=4 3507 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,1,0,1,0,0|2,0,0]=4 3508 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [0,1,0,1,0,0|1,0,1]=4 3509 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [0,1,0,1,0,0|1,0,1]=4 3510 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,1,0,0|2,0,0]=4 3511 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,1,0,0|2,0,0]=4 3512 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,1,0,0|2,0,0]=4 3513 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|1,0,1]=4 3514 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,1,0,1,0,0|2,0,0]=4 3515 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,1,0,1,0,0|2,0,0]=4 3516 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|1,0,1]=4 3517 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,1,0,0|2,0,0]=4 3518 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,1,0,0|2,0,0]=4 3519 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|1,0,0]=3 3520 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,1,0,0|2,0,0]=4 3521 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,1,0,0|2,0,0]=4 3522 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|1,0,0]=3 3523 B7R1.4 CC1COCC1O MCULE-5925280081 [0,1,0,1,0,0|1,0,1]=4 3524 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,1,0,0|2,0,0]=4 3525 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,1,0,0|1,1,0]=4 3526 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,1,0,0|2,0,0]=4 3527 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,1,0,0|2,0,0]=4 3528 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|2,0,0]=4 3529 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,1,0,1,0,0|1,0,1]=4 3530 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,1,0,0|2,0,0]=4 3531 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|2,0,0]=4 3532 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,1,0,0|2,0,0]=4 3533 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [0,1,0,1,0,0|1,0,1]=4 3534 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [0,1,0,1,0,0|1,0,1]=4 3535 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,1,0,0|2,0,0]=4 3536 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [0,1,0,1,0,0|1,0,1]=4 3537 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [0,1,0,1,0,0|1,0,1]=4 3538 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [0,1,0,1,0,0|1,0,1]=4 3539 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [0,1,0,1,0,0|1,0,1]=4 3540 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|1,0,1]=4 3541 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,1,0,0|2,0,0]=4 3542 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,1,0,0|2,0,0]=4 3543 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,1,0,0|2,0,0]=4 3544 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,1,0,0|2,0,0]=4 3545 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,0,0]=3 3546 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,0,0]=3 3547 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,0,0]=3 3548 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,0,0]=3 3549 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,0,0]=3 3550 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,0,0]=3 3551 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,1,0,0|1,1,0]=4 3552 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,1,0,0|1,1,0]=4 3553 B7R1.4 NC1COCC1O MCULE-3115911209 [0,1,0,1,0,0|1,0,1]=4 3554 B7R1.4 NC1COCC1O MCULE-9837103399 [0,1,0,1,0,0|1,0,1]=4 3555 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|1,0,0]=3 3556 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|1,0,0]=3 3557 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|2,0,0]=4 3558 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|2,0,0]=4 3559 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,1,0,0|2,0,0]=4 3560 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,1,0,0|2,0,0]=4 3561 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,1,0,0|2,0,0]=4 3562 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,1,0,0|2,0,0]=4 3563 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,0,0]=3 3564 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,0,0]=3 3565 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,0,0]=3 3566 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,0,0]=3 3567 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,1,0,0|1,1,0]=4 3568 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,1,0,0|1,1,0]=4 3569 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,1,0,0|1,1,0]=4 3570 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,1,0,0|1,1,0]=4 3571 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [0,1,0,1,0,0|1,0,1]=4 3572 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [0,1,0,1,0,0|1,0,1]=4 3573 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [0,1,0,1,0,0|1,0,1]=4 3574 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [0,1,0,1,0,0|1,0,1]=4 3575 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [0,1,0,1,0,0|1,0,1]=4 3576 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [0,1,0,1,0,0|1,0,1]=4 3577 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [0,1,0,1,0,0|1,0,1]=4 3578 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [0,1,0,1,0,0|1,0,1]=4 3579 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|1,0,0]=3 3580 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|1,0,0]=3 3581 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,1,0,0|2,0,0]=4 3582 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,1,0,0|2,0,0]=4 3583 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,1,0,0|2,0,0]=4 3584 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,1,0,0|2,0,0]=4 3585 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,0,0]=3 3586 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,0,0]=3 3587 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,0,0]=3 3588 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,0,0]=3 3589 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,0,0]=3 3590 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,1,0,0|1,1,0]=4 3591 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,1,0,0|1,1,0]=4 3592 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,1,0,0|1,1,0]=4 3593 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,1,0,0|1,1,0]=4 3594 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [0,1,0,1,0,0|1,0,1]=4 3595 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [0,1,0,1,0,0|1,0,1]=4 3596 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [0,1,0,1,0,0|1,0,1]=4 3597 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [0,1,0,1,0,0|1,0,1]=4 3598 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [0,1,0,1,0,0|1,0,1]=4 3599 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [0,1,0,1,0,0|1,0,1]=4 3600 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [0,1,0,1,0,0|1,0,1]=4 3601 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [0,1,0,1,0,0|1,0,1]=4 3602 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|1,0,0]=3 3603 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|1,0,0]=3 3604 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|1,0,1]=4 3605 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,1,0,0|2,0,0]=4 3606 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,1,0,0|2,0,0]=4 3607 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,1,0,0|2,0,0]=4 3608 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|1,0,0]=3 3609 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|2,0,0]=4 3610 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,1,0,0|2,0,0]=4 3611 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,1,0,0|2,0,0]=4 3612 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|1,0,0]=3 3613 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|1,0,0]=3 3614 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|1,0,0]=3 3615 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|1,0,0]=3 3616 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|1,0,0]=3 3617 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|1,0,0]=3 3618 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|1,0,1]=4 3619 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|1,0,0]=3 3620 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|0,0,0]=2 3621 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|0,1,0]=3 3622 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|0,0,0]=2 3623 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|0,0,0]=2 3624 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|0,0,0]=2 3625 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|0,0,0]=2 3626 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,1,0,0|2,0,0]=4 3627 B7R1.4 OC1CCCC1O MCULE-2003945768 [0,1,0,1,0,0|1,0,1]=4 3628 B7R1.4 OC1CNCC1O MCULE-4416566731 [0,1,0,1,0,0|1,0,1]=4 3629 B7R1.4 OC1CNCC1O MCULE-7287658845 [0,1,0,1,0,0|1,0,1]=4 3630 B7R1.4 OC1COCC1Br MCULE-8642236751 [0,1,0,1,0,0|1,0,1]=4 3631 B7R1.4 OC1COCC1F MCULE-3255803142 [0,1,0,1,0,0|1,0,1]=4 3632 B7R1.4 OC1COCC1O MCULE-2982401803 [0,1,0,1,0,0|0,0,2]=4 3633 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [0,1,0,1,0,0|1,0,1]=4 3634 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [0,1,0,1,0,0|1,0,1]=4 3635 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [0,1,0,1,0,0|1,0,1]=4 3636 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [0,1,0,1,0,0|1,0,1]=4 3637 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [0,1,0,1,0,0|1,0,1]=4 3638 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [0,1,0,1,0,0|1,0,1]=4 3639 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [0,1,0,1,0,0|1,0,1]=4 3640 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [0,1,0,1,0,0|0,0,2]=4 3641 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [0,1,0,1,0,0|1,0,1]=4 3642 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [0,1,0,1,0,0|1,0,1]=4 3643 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [0,1,0,1,0,0|1,0,1]=4 3644 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [0,1,0,1,0,0|1,0,1]=4 3645 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [0,1,0,1,0,0|1,0,1]=4 3646 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [0,1,0,1,0,0|1,0,1]=4 3647 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [0,1,0,1,0,0|1,0,1]=4 3648 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [0,1,0,1,0,0|1,0,1]=4 3649 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [0,1,0,1,0,0|1,0,1]=4 3650 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [0,1,0,1,0,0|1,0,1]=4 3651 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [0,1,0,1,0,0|1,0,1]=4 3652 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [0,1,0,1,0,0|1,0,1]=4 3653 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [0,1,0,1,0,0|0,0,2]=4 3654 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [0,1,0,1,0,0|0,0,2]=4 3655 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [0,1,0,1,0,0|0,0,2]=4 3656 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [0,1,0,1,0,0|1,0,1]=4 3657 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|1,0,0]=3 3658 B7R1.6 O=CC=C1COC1 MCULE-3826519058 [0,1,0,1,0,0|1,0,1]=4 3659 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [0,1,0,1,0,0|2,0,0]=4 3660 B7R1.6 O=CCC1COC1 MCULE-3070858256 [0,1,0,1,0,0|1,0,0]=3 3661 B7R1.6 OCCC1CCO1 MCULE-3323265996 [0,1,0,1,0,0|1,0,1]=4 3662 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [0,1,0,1,0,0|1,0,1]=4 3663 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [0,1,0,1,0,0|1,0,1]=4 3664 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [0,1,0,1,0,0|1,0,1]=4 3665 B7R1.8 CC1CCC1C=O MCULE-9541644884 [0,1,0,1,0,0|2,0,0]=4 3666 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,1,0,0|2,0,0]=4 3667 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,1,0,0|1,0,0]=3 3668 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,1,0,0|1,1,0]=4 3669 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,1,0,0|2,0,0]=4 3670 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|1,0,0]=3 3671 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|1,0,0]=3 3672 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,1,0,0|1,0,1]=4 3673 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,1,0,0|1,0,1]=4 3674 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,1,0,0|1,0,1]=4 3675 B7R1.9 COC1CC1C=O MCULE-8346964880 [0,1,0,1,0,0|1,0,0]=3 3676 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,1,0,0|2,0,0]=4 3677 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [0,1,0,1,0,0|2,0,0]=4 3678 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,1,0,1,0,0|2,0,0]=4 3679 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,1,0,0|2,0,0]=4 3680 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,1,0,0|2,0,0]=4 3681 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,1,0,0|2,0,0]=4 3682 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,1,0,1,0,0|2,0,0]=4 3683 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,1,0,1,0,0|2,0,0]=4 3684 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,1,0,1,0,0|2,0,0]=4 3685 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,1,0,0|1,0,0]=3 3686 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,1,0,0|2,0,0]=4 3687 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|1,0,0]=3 3688 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|1,0,0]=3 3689 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|1,0,0]=3 3690 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|1,0,0]=3 3691 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|1,0,0]=3 3692 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|1,0,0]=3 3693 B7R1.11 CC1C(C1C=O)Cl MCULE-4531897284 [0,1,0,1,0,0|2,0,0]=4 3694 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,1,0,0|2,0,0]=4 3695 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,1,0,0|2,0,0]=4 3696 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,1,0,0|2,0,0]=4 3697 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,1,0,0|2,0,0]=4 3698 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,1,0,0|2,0,0]=4 3699 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [0,1,0,1,0,0|1,0,1]=4 3700 B7R1.22 C=CC(O)C1CC1 MCULE-5079761130 [0,1,0,1,0,0|2,0,0]=4 3701 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,1,0,1,0,0|1,0,0]=3 3702 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [0,1,0,1,0,0|2,0,0]=4 3703 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [0,1,0,1,0,0|1,0,1]=4 3704 B7R1.25 C#CC1(COC1)O MCULE-8197450802 [0,1,0,1,0,0|1,0,1]=4 3705 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [0,1,0,1,0,0|2,0,0]=4 3706 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [0,1,0,1,0,0|2,0,0]=4 3707 B7R1.25 C=CC1(COC1)O MCULE-3192470057 [0,1,0,1,0,0|1,0,0]=3 3708 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [0,1,0,1,0,0|2,0,0]=4 3709 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [0,1,0,1,0,0|1,0,1]=4 3710 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [0,1,0,1,0,0|1,0,0]=3 3711 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [0,1,0,1,0,0|1,1,0]=4 3712 B7R1.25 CCC1(COC1)O MCULE-7543171366 [0,1,0,1,0,0|1,0,1]=4 3713 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [0,1,0,1,0,0|1,0,1]=4 3714 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [0,1,0,1,0,0|1,0,1]=4 3715 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [0,1,0,1,0,0|1,0,1]=4 3716 B7R1.25 N#CC1(COC1)O MCULE-4264738108 [0,1,0,1,0,0|1,0,1]=4 3717 B7R1.25 NCC1(COC1)O MCULE-6677052127 [0,1,0,1,0,0|1,0,1]=4 3718 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [0,1,0,1,0,0|2,0,0]=4 3719 B7R1.25 OC1(COC1)CF MCULE-1428128025 [0,1,0,1,0,0|1,0,1]=4 3720 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [0,1,0,1,0,0|1,0,1]=4 3721 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [0,1,0,1,0,0|1,0,1]=4 3722 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [0,1,0,1,0,0|1,0,1]=4 3723 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [0,1,0,1,0,0|1,0,1]=4 3724 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [0,1,0,1,0,0|1,0,1]=4 3725 B7R1.25 OCC1(COC1)O MCULE-4207928663 [0,1,0,1,0,0|0,0,2]=4 3726 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [0,1,0,1,0,0|2,0,0]=4 3727 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,1,0,1,0,0|2,0,0]=4 3728 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,1,0,1,0,0|2,0,0]=4 3729 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,1,0,1,0,0|2,0,0]=4 3730 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,1,0,1,0,0|2,0,0]=4 3731 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,1,0,1,0,0|2,0,0]=4 3732 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,1,0,1,0,0|1,1,0]=4 3733 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,1,0,1,0,0|2,0,0]=4 3734 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,1,0,1,0,0|2,0,0]=4 3735 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,1,0,1,0,0|2,0,0]=4 3736 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,1,0,1,0,0|2,0,0]=4 3737 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,1,0,1,0,0|2,0,0]=4 3738 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,1,0,1,0,0|2,0,0]=4 3739 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,1,0,1,0,0|2,0,0]=4 3740 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,1,0,1,0,0|2,0,0]=4 3741 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,1,0,1,0,0|2,0,0]=4 3742 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,1,0,1,0,0|2,0,0]=4 3743 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,1,0,1,0,0|2,0,0]=4 3744 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,1,0,1,0,0|2,0,0]=4 3745 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,1,0,1,0,0|2,0,0]=4 3746 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,1,0,1,0,0|2,0,0]=4 3747 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,1,0,1,0,0|2,0,0]=4 3748 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,1,0,1,0,0|2,0,0]=4 3749 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,1,0,1,0,0|2,0,0]=4 3750 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,1,0,1,0,0|2,0,0]=4 3751 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,1,0,1,0,0|2,0,0]=4 3752 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,1,0,1,0,0|2,0,0]=4 3753 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,1,0,1,0,0|2,0,0]=4 3754 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,1,0,1,0,0|2,0,0]=4 3755 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,1,0,1,0,0|2,0,0]=4 3756 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,1,0,1,0,0|2,0,0]=4 3757 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,1,0,1,0,0|2,0,0]=4 3758 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,1,0,1,0,0|2,0,0]=4 3759 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,1,0,1,0,0|2,0,0]=4 3760 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,1,0,1,0,0|2,0,0]=4 3761 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,1,0,1,0,0|2,0,0]=4 3762 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,1,0,1,0,0|2,0,0]=4 3763 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,1,0,1,0,0|2,0,0]=4 3764 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,1,0,1,0,0|2,0,0]=4 3765 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,1,0,1,0,0|2,0,0]=4 3766 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,1,0,1,0,0|2,0,0]=4 3767 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,1,0,0|2,0,0]=4 3768 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [0,1,0,1,0,0|2,0,0]=4 3769 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [0,1,0,1,0,0|1,0,1]=4 3770 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,1,0,0|2,0,0]=4 3771 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,1,0,0|2,0,0]=4 3772 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|2,0,0]=4 3773 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,1,0,1,0,0|2,0,0]=4 3774 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,1,0,1,0,0|2,0,0]=4 3775 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,1,0,1,0,0|2,0,0]=4 3776 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,1,0,1,0,0|2,0,0]=4 3777 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|1,0,0]=3 3778 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,1,0,1,0,0|2,0,0]=4 3779 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|2,0,0]=4 3780 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|2,0,0]=4 3781 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|2,0,0]=4 3782 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|2,0,0]=4 3783 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|2,0,0]=4 3784 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|1,0,0]=3 3785 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|2,0,0]=4 3786 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,1,0,1,0,0|2,0,0]=4 3787 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|2,0,0]=4 3788 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|2,0,0]=4 3789 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|2,0,0]=4 3790 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|2,0,0]=4 3791 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,0]=3 3792 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,0]=3 3793 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|2,0,0]=4 3794 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|2,0,0]=4 3795 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|1,0,0]=3 3796 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|1,1,0]=4 3797 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|2,0,0]=4 3798 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|2,0,0]=4 3799 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|2,0,0]=4 3800 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|2,0,0]=4 3801 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,0]=3 3802 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,0]=3 3803 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|2,0,0]=4 3804 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|2,0,0]=4 3805 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|2,0,0]=4 3806 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|2,0,0]=4 3807 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,0]=3 3808 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,0]=3 3809 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,1,0,1,0,0|2,0,0]=4 3810 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,1,0,1,0,0|2,0,0]=4 3811 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,1,0,1,0,0|2,0,0]=4 3812 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,1,0,1,0,0|2,0,0]=4 3813 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,1,0,1,0,0|2,0,0]=4 3814 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,1,0,1,0,0|2,0,0]=4 3815 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,1,0,1,0,0|2,0,0]=4 3816 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|1,0,0]=3 3817 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,1,0,1,0,0|2,0,0]=4 3818 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,1,0,1,0,0|2,0,0]=4 3819 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|2,0,0]=4 3820 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,0]=3 3821 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,1,0,1,0,0|1,1,0]=4 3822 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,1,0,1,0,0|2,0,0]=4 3823 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,1,0,1,0,0|2,0,0]=4 3824 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,1,0,1,0,0|2,0,0]=4 3825 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,1,0,1,0,0|1,0,0]=3 3826 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,1,0,1,0,0|2,0,0]=4 3827 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,1,0,1,0,0|2,0,0]=4 3828 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|2,0,0]=4 3829 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|2,0,0]=4 3830 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|2,0,0]=4 3831 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|2,0,0]=4 3832 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|2,0,0]=4 3833 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|2,0,0]=4 3834 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|1,0,0]=3 3835 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [0,1,0,1,0,0|2,0,0]=4 3836 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [0,1,0,1,0,0|2,0,0]=4 3837 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [0,1,0,1,0,0|1,0,1]=4 3838 B7R1.23 O=CC1CC1(F)F MCULE-5377082936 [0,1,0,1,0,0|2,0,0]=4 3839 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [0,1,0,1,0,0|1,0,1]=4 3840 B7R1.14 C[C@@]1(CNOC1)O MCULE-2135476163 [0,1,0,1,0,0|1,0,1]=4 3841 B7R1.14 C[C@@]1(CNOC1)O MCULE-2596956621 [0,1,0,1,0,0|1,0,1]=4 3842 B7R1.14 C[C@@]1(CNOC1)O MCULE-6080745149 [0,1,0,1,0,0|1,0,1]=4 3843 B7R1.14 C[C@@]1(CNOC1)O MCULE-7091595110 [0,1,0,1,0,0|1,0,1]=4 3844 B7R1.14 C[C@]1(CNOC1)O MCULE-1405004782 [0,1,0,1,0,0|1,0,1]=4 3845 B7R1.14 C[C@]1(CNOC1)O MCULE-4558122242 [0,1,0,1,0,0|1,0,1]=4 3846 B7R1.29 CCC1(CC1)C=O MCULE-9240015002 [0,1,0,1,0,0|2,0,0]=4 3847 B7R1.29 COC1(CC1)C=O MCULE-7427428769 [0,1,0,1,0,0|1,0,0]=3 3848 B7R1.29 COC1(CC1)CO MCULE-7482266883 [0,1,0,1,0,0|1,0,1]=4 3849 B7R1.29 CSC1(CC1)C=O MCULE-8407600042 [0,1,0,1,0,0|1,1,0]=4 3850 B7R1.29 N#CC1(CC1)C=O MCULE-5778696889 [0,1,0,1,0,0|2,0,0]=4 3851 B7R1.29 O=CC1(CC1)CF MCULE-6887466124 [0,1,0,1,0,0|2,0,0]=4 3852 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [0,1,0,1,0,0|1,0,1]=4 3853 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [0,0,0,2,0,0|2,0,0]=4 3854 B7R2.13 C1OCC2C1O2 MCULE-5569274990 [0,0,0,2,0,0|1,0,1]=4