0 B5R0.3 BrCC(Br)CBr MCULE-7323713039 [0,0,0,0,0,0|3,0,0]=3 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|2,0,2]=4 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)CO MCULE-4330549804 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 C=C(CBr)CBr MCULE-2855078657 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 C=C(CI)CI MCULE-7592017619 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,0,0,0,0,0|1,1,1]=3 24 B5R0.3 C=CC(C)CC MCULE-8112547661 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 C=CC(N)CC MCULE-6270835453 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 C=CC(N)CC MCULE-7920121163 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 C=CC(O)C#N MCULE-2341615846 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 C=CC(O)C=C MCULE-7283842025 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,0,0,0,0,0|1,0,1]=2 43 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,0,0,0,0,0|1,0,1]=2 48 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,0,0,0,0,0|1,0,1]=2 49 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.3 CC(C#N)CCl MCULE-9290621020 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.3 CC(CBr)CBr MCULE-7586113999 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 CC(CCl)CBr MCULE-5101754687 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 CC(CCl)CCl MCULE-1169456620 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.3 CC(CI)CI MCULE-4568725580 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 CC(CN)CN MCULE-1464804013 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.3 CC(CN)CN MCULE-3273307813 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.3 CC(CN)CO MCULE-5880795484 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.3 CC(CN)CO MCULE-8083007887 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.3 CC(CO)CO MCULE-2340730326 [0,0,0,0,0,0|1,1,0]=2 67 B5R0.3 CC(CO)CS MCULE-1990992504 [0,0,0,0,0,0|1,0,0]=1 68 B5R0.3 CC(CO)NN MCULE-3362748538 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.3 CC(CO)NN MCULE-4440318216 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,0,0,0,0,0|2,0,2]=4 75 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,0,0,0,0,0|2,0,2]=4 79 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,0,0,0,0,0|1,0,2]=3 80 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,0,0,0,0,0|2,0,2]=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|2,0,2]=4 83 B5R0.3 CCC(Br)CBr MCULE-5254958560 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,0,0,0,0,0|3,0,0]=3 85 B5R0.3 CCC(Br)CO MCULE-7211805716 [0,0,0,0,0,0|2,0,0]=2 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|2,0,2]=4 88 B5R0.3 CCC(C)CBr MCULE-5451416952 [0,0,0,0,0,0|3,0,0]=3 89 B5R0.3 CCC(C)CC MCULE-2542807917 [0,0,0,0,0,0|3,0,0]=3 90 B5R0.3 CCC(C)CCl MCULE-7450386476 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.3 CCC(C)CI MCULE-5444509280 [0,0,0,0,0,0|3,0,0]=3 92 B5R0.3 CCC(C)CN MCULE-2777327284 [0,0,0,0,0,0|3,0,0]=3 93 B5R0.3 CCC(C)CN MCULE-7014901600 [0,0,0,0,0,0|3,0,0]=3 94 B5R0.3 CCC(C)CO MCULE-6521026296 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.3 CCC(C)CS MCULE-7795095685 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 102 B5R0.3 CCC(C)NO MCULE-6169819668 [0,0,0,0,0,0|3,0,0]=3 103 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|2,0,2]=4 108 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [0,0,0,0,0,0|3,0,0]=3 109 B5R0.3 CCC(Cl)CO MCULE-1756262629 [0,0,0,0,0,0|2,0,0]=2 110 B5R0.3 CCC(F)CBr MCULE-3226052264 [0,0,0,0,0,0|3,0,0]=3 111 B5R0.3 CCC(F)CN MCULE-1291385596 [0,0,0,0,0,0|3,0,0]=3 112 B5R0.3 CCC(F)CN MCULE-7421331323 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.3 CCC(I)CC MCULE-1119844552 [0,0,0,0,0,0|3,0,0]=3 114 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|3,0,0]=3 117 B5R0.3 CCC(N)CC MCULE-4261937519 [0,0,0,0,0,0|3,0,0]=3 118 B5R0.3 CCC(N)CC MCULE-5899128891 [0,0,0,0,0,0|3,0,0]=3 119 B5R0.3 CCC(N)CN MCULE-6911484065 [0,0,0,0,0,0|3,0,0]=3 120 B5R0.3 CCC(N)CN MCULE-8376506697 [0,0,0,0,0,0|3,0,0]=3 121 B5R0.3 CCC(N)CO MCULE-1135809021 [0,0,0,0,0,0|2,0,0]=2 122 B5R0.3 CCC(N)CO MCULE-7588854111 [0,0,0,0,0,0|2,0,0]=2 123 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|2,0,0]=2 125 B5R0.3 CCC(O)CC MCULE-5553645045 [0,0,0,0,0,0|2,0,0]=2 126 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.3 CCC(O)CN MCULE-5197026448 [0,0,0,0,0,0|2,0,0]=2 128 B5R0.3 CCC(O)CO MCULE-2488753438 [0,0,0,0,0,0|1,0,0]=1 129 B5R0.3 CCC(O)CO MCULE-7297282094 [0,0,0,0,0,0|1,0,0]=1 130 B5R0.3 CCC(S)CC MCULE-2556259434 [0,0,0,0,0,0|2,1,0]=3 131 B5R0.3 CCC(S)CS MCULE-9332449950 [0,0,0,0,0,0|1,1,0]=2 132 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [0,0,0,0,0,0|3,0,0]=3 133 B5R0.3 CCN(C)CC MCULE-7207964917 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.3 CCN(N)CC MCULE-9853386945 [0,0,0,0,0,0|4,0,0]=4 135 B5R0.3 CCN(N)CC MCULE-9962617398 [0,0,0,0,0,0|4,0,0]=4 136 B5R0.3 CCN(O)CC MCULE-6022935768 [0,0,0,0,0,0|3,0,0]=3 137 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,0,0,0,0,0|3,0,1]=4 138 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,0,0,0,0,0|4,0,0]=4 139 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [0,0,0,0,0,0|3,0,0]=3 141 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,0,0,0,0,0|3,0,0]=3 142 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,0,0,0,0,0|2,0,0]=2 143 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,0,0,0,0,0|2,0,0]=2 144 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [0,0,0,0,0,0|3,0,1]=4 145 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [0,0,0,0,0,0|3,0,1]=4 146 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,0,0,0,0,0|2,0,0]=2 147 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,0,0,0,0,0|2,0,0]=2 149 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,0,0,0,0,0|2,0,0]=2 150 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,0,0,0,0,0|1,0,0]=1 151 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,0,0,0,0,0|1,0,0]=1 152 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [0,0,0,0,0,0|3,0,0]=3 155 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [0,0,0,0,0,0|3,0,0]=3 156 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [0,0,0,0,0,0|3,0,0]=3 157 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [0,0,0,0,0,0|3,0,0]=3 158 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,0,0,0,0,0|3,0,0]=3 159 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,0,0,0,0,0|3,0,0]=3 160 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,0,0,0,0,0|3,0,0]=3 161 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,0,0,0,0,0|3,0,0]=3 162 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,0,0,0,0,0|2,0,0]=2 163 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,0,0,0,0,0|2,0,0]=2 164 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [0,0,0,0,0,0|3,0,1]=4 165 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [0,0,0,0,0,0|3,0,0]=3 167 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [0,0,0,0,0,0|3,0,0]=3 168 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,0,0,0,0,0|2,0,0]=2 169 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,0,0,0,0,0|2,0,0]=2 170 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,0,0,0,0,0|2,0,0]=2 171 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,0,0,0,0,0|1,0,0]=1 172 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,0,0,0,0,0|1,0,0]=1 173 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,0,0,0,0,0|3,0,1]=4 174 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,0,0,0,0,0|2,0,2]=4 175 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,0,0,0,0,0|2,0,2]=4 176 B5R0.3 CNC(C)CN MCULE-1599162912 [0,0,0,0,0,0|4,0,0]=4 177 B5R0.3 CNC(C)CN MCULE-1637391260 [0,0,0,0,0,0|4,0,0]=4 178 B5R0.3 CNC(C)CO MCULE-3841057780 [0,0,0,0,0,0|3,0,0]=3 179 B5R0.3 CNC(C)CO MCULE-6474892275 [0,0,0,0,0,0|3,0,0]=3 180 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,0,0,0,0,0|3,0,0]=3 181 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,0,0,0,0,0|3,0,0]=3 182 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,0,0,0,0,0|3,0,0]=3 183 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,0,0,0,0,0|3,0,0]=3 184 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,0,0,0,0,0|3,0,0]=3 185 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,0,0,0,0,0|3,0,0]=3 186 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,0,0,0,0,0|3,0,0]=3 187 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,0,0,0,0,0|3,0,0]=3 188 B5R0.3 COC(=O)CO MCULE-8734582763 [0,0,0,0,0,0|2,0,2]=4 189 B5R0.3 COC(=O)CS MCULE-3020830180 [0,0,0,0,0,0|2,0,2]=4 190 B5R0.3 COC(C)CBr MCULE-6831960550 [0,0,0,0,0,0|4,0,0]=4 191 B5R0.3 COC(C)CCl MCULE-6614968111 [0,0,0,0,0,0|4,0,0]=4 192 B5R0.3 COC(C)CI MCULE-9561627722 [0,0,0,0,0,0|4,0,0]=4 193 B5R0.3 COC(C)CN MCULE-1378513525 [0,0,0,0,0,0|4,0,0]=4 194 B5R0.3 COC(C)CN MCULE-6114730248 [0,0,0,0,0,0|4,0,0]=4 195 B5R0.3 COC(C)CN MCULE-7516064224 [0,0,0,0,0,0|4,0,0]=4 196 B5R0.3 COC(C)CN MCULE-8277408054 [0,0,0,0,0,0|4,0,0]=4 197 B5R0.3 COC(C)CO MCULE-5269990702 [0,0,0,0,0,0|3,0,0]=3 198 B5R0.3 COC(C)CO MCULE-7173093332 [0,0,0,0,0,0|3,0,0]=3 199 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,0,0,0,0,0|4,0,0]=4 200 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,0,0,0,0,0|4,0,0]=4 201 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,0,0,0,0,0|4,0,0]=4 202 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,0,0,0,0,0|4,0,0]=4 203 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,0,0,0,0,0|3,0,0]=3 204 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,0,0,0,0,0|3,0,0]=3 205 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,0,0,0,0,0|4,0,0]=4 206 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,0,0,0,0,0|4,0,0]=4 207 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,0,0,0,0,0|4,0,0]=4 208 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,0,0,0,0,0|4,0,0]=4 209 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,0,0,0,0,0|3,0,0]=3 210 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,0,0,0,0,0|3,0,0]=3 211 B5R0.3 CSC(C)CN MCULE-8841622109 [0,0,0,0,0,0|4,0,0]=4 212 B5R0.3 CSC(C)CO MCULE-4646435737 [0,0,0,0,0,0|3,0,0]=3 213 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,0,0,0,0,0|2,0,0]=2 214 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,0,0,0,0,0|2,0,0]=2 215 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,0,0,0,0,0|2,0,0]=2 216 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,0,0,0,0,0|2,0,0]=2 217 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,0,0,0,0,0|2,0,0]=2 218 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,0,0,0,0,0|2,0,0]=2 219 B5R0.3 ClCC(Br)CBr MCULE-2454576835 [0,0,0,0,0,0|3,0,0]=3 220 B5R0.3 ClCC(Cl)CCl MCULE-3839333809 [0,0,0,0,0,0|3,0,0]=3 221 B5R0.3 FCC(Br)CBr MCULE-3296621964 [0,0,0,0,0,0|3,0,0]=3 222 B5R0.3 FCC(Cl)CF MCULE-6083002482 [0,0,0,0,0,0|3,0,0]=3 223 B5R0.3 FCC(I)CF MCULE-1837926612 [0,0,0,0,0,0|3,0,0]=3 224 B5R0.3 N#CC(Br)CBr MCULE-2310311576 [0,0,0,0,0,0|3,0,1]=4 225 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)/CF MCULE-8149459701 [0,0,0,0,0,0|3,0,1]=4 229 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,0,0,0,0,0|2,1,1]=4 230 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,0,0,0,0,0|3,0,1]=4 231 B5R0.3 NC(CF)CF MCULE-4671221738 [0,0,0,0,0,0|3,0,0]=3 232 B5R0.3 NC(CF)CF MCULE-8916274721 [0,0,0,0,0,0|3,0,0]=3 233 B5R0.3 NC(CO)CF MCULE-3756808200 [0,0,0,0,0,0|2,0,0]=2 234 B5R0.3 NC(CO)CF MCULE-9468719402 [0,0,0,0,0,0|2,0,0]=2 235 B5R0.3 NC(CO)CO MCULE-1559988016 [0,0,0,0,0,0|1,1,0]=2 236 B5R0.3 NC(CO)CO MCULE-4954119952 [0,0,0,0,0,0|1,1,0]=2 237 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,0,0,0,0,0|2,0,2]=4 238 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,0,0,0,0,0|2,0,2]=4 239 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,0,0,0,0,0|2,0,2]=4 240 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,0,0,0,0,0|3,0,0]=3 241 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,0,0,0,0,0|3,0,0]=3 242 B5R0.3 NCC(F)CN MCULE-8855486562 [0,0,0,0,0,0|3,0,0]=3 243 B5R0.3 NCC(F)CO MCULE-6156319956 [0,0,0,0,0,0|2,0,0]=2 244 B5R0.3 NCC(F)CO MCULE-7472307328 [0,0,0,0,0,0|2,0,0]=2 245 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,0,0,0,0,0|2,0,0]=2 246 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,0,0,0,0,0|2,0,0]=2 247 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,0,0,0,0,0|2,0,0]=2 248 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,0,0,0,0,0|2,0,0]=2 249 B5R0.3 NCC(O)CF MCULE-7529777116 [0,0,0,0,0,0|2,0,0]=2 250 B5R0.3 NCC(O)CF MCULE-8092861019 [0,0,0,0,0,0|2,0,0]=2 251 B5R0.3 NCC(O)CN MCULE-4689186078 [0,0,0,0,0,0|2,0,0]=2 252 B5R0.3 NCC(O)CO MCULE-2689763818 [0,0,0,0,0,0|1,0,0]=1 253 B5R0.3 NCC(O)CO MCULE-6096620010 [0,0,0,0,0,0|1,0,0]=1 254 B5R0.3 NCC(O)CO MCULE-7307777212 [0,0,0,0,0,0|1,0,0]=1 255 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,0,0,0,0,0|2,0,0]=2 256 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,0,0,0,0,0|2,0,0]=2 257 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,0,0,0,0,0|2,0,0]=2 258 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,0,0,0,0,0|2,0,0]=2 259 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,0,0,0,0,0|2,0,0]=2 260 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,0,0,0,0,0|2,0,0]=2 261 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,0,0,0,0,0|2,0,0]=2 262 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,0,0,0,0,0|2,0,0]=2 263 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,0,0,0,0,0|1,0,0]=1 264 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,0,0,0,0,0|1,0,0]=1 265 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,0,0,0,0,0|1,0,0]=1 266 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,0,0,0,0,0|2,0,0]=2 267 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,0,0,0,0,0|2,0,0]=2 268 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,0,0,0,0,0|2,0,0]=2 269 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,0,0,0,0,0|2,0,0]=2 270 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,0,0,0,0,0|2,0,0]=2 271 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,0,0,0,0,0|2,0,0]=2 272 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,0,0,0,0,0|2,0,0]=2 273 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,0,0,0,0,0|2,0,0]=2 274 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,0,0,0,0,0|2,0,0]=2 275 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,0,0,0,0,0|1,0,0]=1 276 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,0,0,0,0,0|1,0,0]=1 277 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,0,0,0,0,0|1,0,0]=1 278 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,0,0,0,0,0|1,0,0]=1 279 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,0,0,0,0,0|2,0,2]=4 280 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,0,0,0,0,0|2,0,2]=4 281 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,0,0,0,0,0|2,0,0]=2 282 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,0,0,0,0,0|2,0,0]=2 283 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,0,0,0,0,0|2,0,0]=2 284 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,0,0,0,0,0|2,0,0]=2 285 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,0,0,0,0,0|2,0,0]=2 286 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,0,0,0,0,0|2,0,0]=2 287 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,0,0,0,0,0|2,0,0]=2 288 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,0,0,0,0,0|2,0,0]=2 289 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,0,0,0,0,0|2,0,2]=4 290 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,0,0,0,0,0|2,0,2]=4 291 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,0,0,0,0,0|2,0,2]=4 292 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,0,0,0,0,0|0,1,2]=3 293 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,0,0,0,0,0|0,1,3]=4 294 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,0,0,0,0,0|0,1,1]=2 295 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,0,0,0,0,0|0,1,1]=2 296 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,0,0,0,0,0|0,1,1]=2 297 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,0,0,0,0,0|0,1,1]=2 298 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,0,0,0,0,0|2,0,0]=2 299 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,0,0,0,0,0|2,0,0]=2 300 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,0,0,0,0,0|2,0,0]=2 301 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,0,0,0,0,0|2,0,0]=2 302 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,0,0,0,0,0|2,0,0]=2 303 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,0,0,0,0,0|2,0,0]=2 304 B5R0.3 OC(CF)CF MCULE-3360341794 [0,0,0,0,0,0|2,0,0]=2 305 B5R0.3 OC(CI)CI MCULE-6842895270 [0,0,0,0,0,0|2,0,0]=2 306 B5R0.3 OCC(Br)CBr MCULE-9616107956 [0,0,0,0,0,0|2,0,0]=2 307 B5R0.3 OCC(Br)CO MCULE-9272628834 [0,0,0,0,0,0|1,1,0]=2 308 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [0,0,0,0,0,0|2,0,0]=2 309 B5R0.3 OCC(Cl)CO MCULE-7487945326 [0,0,0,0,0,0|1,1,0]=2 310 B5R0.3 OCC(F)CBr MCULE-2889937576 [0,0,0,0,0,0|2,0,0]=2 311 B5R0.3 OCC(F)CO MCULE-2970537690 [0,0,0,0,0,0|1,1,0]=2 312 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,0,0,0,0,0|1,0,0]=1 313 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,0,0,0,0,0|1,0,0]=1 314 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,0,0,0,0,0|1,0,0]=1 315 B5R0.3 OCC(O)CF MCULE-3575952891 [0,0,0,0,0,0|1,0,0]=1 316 B5R0.3 OCC(O)CF MCULE-8981430411 [0,0,0,0,0,0|1,0,0]=1 317 B5R0.3 OCC(O)CI MCULE-6705992930 [0,0,0,0,0,0|1,0,0]=1 318 B5R0.3 OCC(O)CO MCULE-6349111826 [0,0,0,0,0,0|0,1,0]=1 319 B5R0.3 OCC(O)CS MCULE-6300188207 [0,0,0,0,0,0|0,0,0]=0 320 B5R0.3 OCC(S)CS MCULE-9735516119 [0,0,0,0,0,0|0,1,0]=1 321 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,0,0,0,0,0|1,0,0]=1 322 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,0,0,0,0,0|1,0,0]=1 323 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,0,0,0,0,0|1,0,0]=1 324 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,0,0,0,0,0|1,0,0]=1 325 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,0,0,0,0,0|1,0,0]=1 326 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,0,0,0,0,0|1,0,0]=1 327 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,0,0,0,0,0|1,0,0]=1 328 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,0,0,0,0,0|1,0,0]=1 329 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,0,0,0,0,0|1,0,0]=1 330 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,0,0,0,0,0|2,0,0]=2 331 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,0,0,0,0,0|2,0,0]=2 332 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,0,0,0,0,0|2,0,0]=2 333 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,0,0,0,0,0|2,0,0]=2 334 B4R0.1 BrCC(Br)Br MCULE-1904439252 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.1 C#CB(O)O MCULE-2503425015 [1,0,0,0,0,0|2,0,1]=4 336 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,0,0,0,0,0|2,0,1]=4 337 B4R0.1 C#CC(C)C MCULE-4600802925 [1,0,0,0,0,0|2,0,1]=4 338 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,0,0,0,0,0|2,0,1]=4 339 B4R0.1 C#CC(C)N MCULE-5174459541 [1,0,0,0,0,0|2,0,1]=4 340 B4R0.1 C#CC(C)N MCULE-7552261137 [1,0,0,0,0,0|2,0,1]=4 341 B4R0.1 C#CC(C)N MCULE-8458008104 [1,0,0,0,0,0|2,0,1]=4 342 B4R0.1 C#CC(C)N MCULE-8872781976 [1,0,0,0,0,0|2,0,1]=4 343 B4R0.1 C#CC(C)O MCULE-6692690957 [1,0,0,0,0,0|1,0,1]=3 344 B4R0.1 C#CC(C)O MCULE-8115962170 [1,0,0,0,0,0|1,0,1]=3 345 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,0,0,0,0,0|2,0,1]=4 346 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,0,0,0,0,0|2,0,1]=4 347 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,0,0,0,0,0|2,0,1]=4 348 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,0,0,0,0,0|1,0,1]=3 350 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,0,0,0,0,0|1,0,1]=3 351 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,0,0,0,0,0|1,0,1]=3 356 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,0]=3 357 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|1,0,0]=2 358 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|2,0,1]=4 359 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|2,0,1]=4 360 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|1,0,2]=4 361 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|2,0,1]=4 364 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|1,0,1]=3 367 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|1,0,1]=3 368 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|1,0,2]=4 369 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|1,0,2]=4 370 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|1,0,2]=4 371 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|1,0,1]=3 376 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|2,0,1]=4 380 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|2,0,1]=4 381 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|2,0,1]=4 384 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|1,0,1]=3 385 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|1,0,2]=4 389 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,2]=4 390 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,2]=4 391 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|0,0,2]=3 392 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|0,0,2]=3 393 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|1,0,2]=4 394 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|1,0,2]=4 395 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,0,0,0,0,0|2,0,1]=4 396 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|1,0,2]=4 397 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,0,0,0,0,0|2,0,0]=3 398 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,0,0,0,0,0|2,0,0]=3 399 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,0]=3 400 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,0]=3 401 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|1,0,0]=2 402 B4R0.1 CC(C)C#N MCULE-8390118776 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|1,0,2]=4 404 B4R0.1 CC(C)CBr MCULE-6039420480 [1,0,0,0,0,0|2,0,0]=3 405 B4R0.1 CC(C)CCl MCULE-6524976746 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.1 CC(C)CI MCULE-5280589461 [1,0,0,0,0,0|2,0,0]=3 407 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|2,0,0]=3 408 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|2,0,0]=3 409 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|1,0,0]=2 412 B4R0.1 CC(C)CP MCULE-3724358658 [1,0,0,0,0,0|2,0,0]=3 413 B4R0.1 CC(C)CS MCULE-7978911055 [1,0,0,0,0,0|1,0,0]=2 414 B4R0.1 CC(C)NN MCULE-4673953224 [1,0,0,0,0,0|3,0,0]=4 415 B4R0.1 CC(C)NN MCULE-7901160798 [1,0,0,0,0,0|3,0,0]=4 416 B4R0.1 CC(C)NN MCULE-9473118288 [1,0,0,0,0,0|3,0,0]=4 417 B4R0.1 CC(C)NO MCULE-6516566403 [1,0,0,0,0,0|2,0,0]=3 418 B4R0.1 CC(C)NO MCULE-8545146035 [1,0,0,0,0,0|2,0,0]=3 419 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|3,0,0]=4 420 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|3,0,0]=4 421 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,0,0,0,0,0|3,0,0]=4 422 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,0,0,0,0,0|3,0,0]=4 423 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,0,0,0,0,0|2,0,0]=3 425 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,0,0,0,0,0|2,0,0]=3 426 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,0]=3 427 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,0]=3 428 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|1,0,0]=2 429 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|1,0,0]=2 430 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,0]=3 431 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,0]=3 432 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|1,0,0]=2 433 B4R0.1 CC(N)C#N MCULE-4008524363 [1,0,0,0,0,0|2,0,1]=4 434 B4R0.1 CC(N)C#N MCULE-8654767875 [1,0,0,0,0,0|2,0,1]=4 435 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|1,0,2]=4 436 B4R0.1 CC(N)CBr MCULE-1783493149 [1,0,0,0,0,0|2,0,0]=3 437 B4R0.1 CC(N)CBr MCULE-2775398297 [1,0,0,0,0,0|2,0,0]=3 438 B4R0.1 CC(N)CCl MCULE-8652434595 [1,0,0,0,0,0|2,0,0]=3 439 B4R0.1 CC(N)CCl MCULE-9580466630 [1,0,0,0,0,0|2,0,0]=3 440 B4R0.1 CC(N)CF MCULE-1603143200 [1,0,0,0,0,0|2,0,0]=3 441 B4R0.1 CC(N)CF MCULE-3787216870 [1,0,0,0,0,0|2,0,0]=3 442 B4R0.1 CC(N)CF MCULE-4138869746 [1,0,0,0,0,0|2,0,0]=3 443 B4R0.1 CC(N)CF MCULE-8611760275 [1,0,0,0,0,0|2,0,0]=3 444 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,0]=3 445 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,0]=3 446 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,0]=3 447 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|1,0,0]=2 448 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|1,0,0]=2 449 B4R0.1 CC(N)CS MCULE-1396853557 [1,0,0,0,0,0|1,0,0]=2 450 B4R0.1 CC(N)CS MCULE-4094732666 [1,0,0,0,0,0|1,0,0]=2 451 B4R0.1 CC(O)C#N MCULE-3166802314 [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|1,0,0]=2 453 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|1,0,0]=2 454 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|1,0,0]=2 455 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,0]=2 456 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,0]=2 457 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,0]=2 458 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,0]=2 459 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|0,0,0]=1 460 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|0,0,0]=1 461 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|0,0,0]=1 462 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,0]=2 463 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,0]=3 464 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,0]=3 465 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|0,1,0]=2 466 B4R0.1 CC(S)CS MCULE-9264694858 [1,0,0,0,0,0|0,1,0]=2 467 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|2,0,0]=3 468 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,2]=4 469 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,2]=4 470 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,2]=4 471 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,0,2]=4 472 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|2,0,0]=3 473 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|2,0,0]=3 474 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|2,0,0]=3 475 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|2,0,0]=3 476 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|2,0,0]=3 477 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|2,0,0]=3 478 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|2,0,0]=3 479 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|2,0,0]=3 480 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,0]=2 481 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,0]=2 482 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|1,1,0]=3 483 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|3,0,0]=4 484 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|3,0,0]=4 485 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|3,0,0]=4 486 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|3,0,0]=4 487 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|2,0,0]=3 490 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|2,0,0]=3 491 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|2,0,0]=3 492 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|2,0,0]=3 493 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,0]=2 494 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,0]=2 495 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|2,0,0]=3 496 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|2,0,0]=3 497 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|2,0,0]=3 498 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|2,0,0]=3 499 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,0]=2 500 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,0]=2 501 B4R0.1 CN(C)CCl MCULE-4906480184 [1,0,0,0,0,0|3,0,0]=4 502 B4R0.1 CN(C)CCl MCULE-5465672480 [1,0,0,0,0,0|3,0,0]=4 503 B4R0.1 CNC(C)C MCULE-3849513543 [1,0,0,0,0,0|3,0,0]=4 504 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,0,0,0,0|3,0,0]=4 505 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,0,0,0,0|3,0,0]=4 506 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|1,0,0]=2 507 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|1,0,0]=2 508 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|1,0,0]=2 509 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|1,0,0]=2 510 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,0,0,0,0,0|2,0,1]=4 511 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,0,0,0,0,0|2,0,1]=4 512 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,0,0,0,0,0|2,0,1]=4 513 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,0,0,0,0,0|2,0,1]=4 514 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,0,0,0,0,0|2,0,0]=3 515 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,0,0,0,0,0|2,0,0]=3 516 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,0,0,0,0,0|2,0,0]=3 517 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,0,0,0,0,0|2,0,0]=3 518 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,0]=3 519 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,0]=3 520 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,0]=3 521 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,0]=3 522 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|1,0,0]=2 523 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|1,0,0]=2 524 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|0,0,2]=3 525 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|1,0,0]=2 526 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|1,0,0]=2 527 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,0]=2 528 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|0,0,0]=1 529 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|0,0,0]=1 530 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|0,0,0]=1 531 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|1,0,0]=2 532 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|1,0,0]=2 533 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|1,0,0]=2 534 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|1,0,0]=2 535 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,0,0,0,0,0|2,0,1]=4 537 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,0,0,0,0,0|2,0,0]=3 538 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,0,0,0,0,0|2,0,0]=3 539 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,0,0,0,0,0|2,0,0]=3 540 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,0,0,0,0,0|2,0,0]=3 541 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,0]=3 542 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,0]=3 543 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,0]=3 544 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,0]=3 545 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|1,0,0]=2 546 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|1,0,0]=2 547 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|1,0,0]=2 548 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|1,0,0]=2 549 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,0]=2 550 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,0]=2 551 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|0,0,0]=1 552 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|0,0,0]=1 553 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|0,0,0]=1 554 B4R0.1 ClC(Br)CBr MCULE-4330156086 [1,0,0,0,0,0|3,0,0]=4 555 B4R0.1 ClC(Cl)CBr MCULE-8368261609 [1,0,0,0,0,0|3,0,0]=4 556 B4R0.1 ClCC(Cl)Cl MCULE-9302905435 [1,0,0,0,0,0|3,0,0]=4 557 B4R0.1 FC(Br)CBr MCULE-2977436061 [1,0,0,0,0,0|3,0,0]=4 558 B4R0.1 FC(Cl)CCl MCULE-6531960916 [1,0,0,0,0,0|3,0,0]=4 559 B4R0.1 FC(F)CBr MCULE-5166579689 [1,0,0,0,0,0|3,0,0]=4 560 B4R0.1 FC(F)CI MCULE-4051435294 [1,0,0,0,0,0|3,0,0]=4 561 B4R0.1 FCC(F)Cl MCULE-7439685421 [1,0,0,0,0,0|3,0,0]=4 562 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,1]=4 563 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,1]=4 564 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,2]=4 565 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,0,2]=4 566 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,0,2]=4 567 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|1,0,2]=4 568 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|1,0,2]=4 569 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|1,0,2]=4 570 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|1,0,2]=4 571 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|1,0,2]=4 572 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|1,0,2]=4 573 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,0,0,0,0,0|3,0,0]=4 574 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,0,0,0,0,0|3,0,0]=4 575 B4R0.1 NCC(F)F MCULE-5562582586 [1,0,0,0,0,0|3,0,0]=4 576 B4R0.1 NCC(F)F MCULE-9437628707 [1,0,0,0,0,0|3,0,0]=4 577 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,2]=4 578 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,2]=4 579 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,2]=4 580 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,2]=4 581 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|0,1,1]=3 582 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|0,0,2]=3 583 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|0,1,2]=4 584 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|0,0,3]=4 585 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|0,0,3]=4 586 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|1,1,0]=3 587 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|1,1,1]=4 588 B4R0.1 OB(O)CCl MCULE-1740750359 [1,0,0,0,0,0|2,0,0]=3 589 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|2,0,0]=3 590 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|2,0,0]=3 591 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|2,0,0]=3 592 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|2,0,1]=4 593 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,0,0,0,0,0|1,0,1]=3 594 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,0]=2 595 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|2,0,0]=3 596 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,0,0,0,0|2,0,0]=3 597 B4R0.2 BrCCCI MCULE-6470610840 [1,0,0,0,0,0|2,0,0]=3 598 B4R0.2 BrCOCBr MCULE-2371209322 [1,0,0,0,0,0|3,0,0]=4 599 B4R0.2 C#CCCBr MCULE-1495603480 [1,0,0,0,0,0|2,0,1]=4 600 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|2,0,1]=4 601 B4R0.2 C#CCCCl MCULE-5602517887 [1,0,0,0,0,0|2,0,1]=4 602 B4R0.2 C#CCCI MCULE-2832310719 [1,0,0,0,0,0|2,0,1]=4 603 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|2,0,1]=4 604 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|2,0,1]=4 605 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|1,0,1]=3 606 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|1,0,1]=3 607 B4R0.2 C#CCNO MCULE-7210831528 [1,0,0,0,0,0|2,0,1]=4 608 B4R0.2 C#CCNO MCULE-8082854360 [1,0,0,0,0,0|2,0,1]=4 609 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|1,0,2]=4 610 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|1,0,2]=4 611 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,0,0,0,0|1,0,2]=4 612 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|2,0,1]=4 613 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|2,0,1]=4 614 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|2,0,1]=4 615 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|2,0,1]=4 616 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|2,0,1]=4 617 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|2,0,1]=4 618 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|1,0,1]=3 619 B4R0.2 CC#CCO MCULE-5096552076 [1,0,0,0,0,0|1,0,2]=4 620 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|1,0,2]=4 621 B4R0.2 CCC=NO MCULE-9457280654 [1,0,0,0,0,0|2,0,1]=4 622 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|2,0,1]=4 623 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|1,0,2]=4 624 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|2,0,0]=3 625 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|2,0,0]=3 626 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|2,0,0]=3 627 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|2,0,0]=3 628 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|2,0,0]=3 629 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|2,0,0]=3 630 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|2,0,0]=3 631 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|2,0,0]=3 632 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|2,0,0]=3 633 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|1,0,0]=2 634 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|1,0,0]=2 635 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|3,0,0]=4 636 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|3,0,0]=4 637 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|3,0,0]=4 638 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|3,0,0]=4 639 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|3,0,0]=4 640 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|3,0,0]=4 641 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|3,0,0]=4 642 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|3,0,0]=4 643 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|3,0,0]=4 644 B4R0.2 CCNCC MCULE-3395060353 [1,0,0,0,0,0|3,0,0]=4 645 B4R0.2 CCNCC MCULE-4374609736 [1,0,0,0,0,0|3,0,0]=4 646 B4R0.2 CCNCC MCULE-4555901025 [1,0,0,0,0,0|3,0,0]=4 647 B4R0.2 CCNCC MCULE-6895602113 [1,0,0,0,0,0|3,0,0]=4 648 B4R0.2 CCOCBr MCULE-6644755987 [1,0,0,0,0,0|3,0,0]=4 649 B4R0.2 CCOCC MCULE-5665709021 [1,0,0,0,0,0|3,0,0]=4 650 B4R0.2 CCOCCl MCULE-5087992840 [1,0,0,0,0,0|3,0,0]=4 651 B4R0.2 CCSCC MCULE-6480710239 [1,0,0,0,0,0|3,0,0]=4 652 B4R0.2 CCSCCl MCULE-3890542152 [1,0,0,0,0,0|3,0,0]=4 653 B4R0.2 CC[NH2+]CC MCULE-9899430356 [1,0,0,0,0,0|3,0,0]=4 654 B4R0.2 CNCCBr MCULE-3708780806 [1,0,0,0,0,0|3,0,0]=4 655 B4R0.2 CNCCBr MCULE-6840755559 [1,0,0,0,0,0|3,0,0]=4 656 B4R0.2 CNCCCl MCULE-1666345560 [1,0,0,0,0,0|3,0,0]=4 657 B4R0.2 CNCCCl MCULE-8215813413 [1,0,0,0,0,0|3,0,0]=4 658 B4R0.2 CNCCF MCULE-3719880423 [1,0,0,0,0,0|3,0,0]=4 659 B4R0.2 CNCCF MCULE-3751701745 [1,0,0,0,0,0|3,0,0]=4 660 B4R0.2 CNCCI MCULE-7026781832 [1,0,0,0,0,0|3,0,0]=4 661 B4R0.2 CNCCI MCULE-8892686580 [1,0,0,0,0,0|3,0,0]=4 662 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|3,0,0]=4 663 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|3,0,0]=4 664 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|2,0,0]=3 665 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|2,0,0]=3 666 B4R0.2 CNCCS MCULE-6430516369 [1,0,0,0,0,0|2,0,0]=3 667 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|3,0,0]=4 668 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|3,0,0]=4 669 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|3,0,0]=4 670 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|3,0,0]=4 671 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|3,0,0]=4 672 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|2,0,0]=3 673 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|2,0,0]=3 674 B4R0.2 CSCCBr MCULE-1684461541 [1,0,0,0,0,0|3,0,0]=4 675 B4R0.2 CSCCCl MCULE-8593103756 [1,0,0,0,0,0|3,0,0]=4 676 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|3,0,0]=4 677 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|3,0,0]=4 678 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|2,0,0]=3 679 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,0,0,0,0|2,0,0]=3 680 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,0,0,0,0|2,0,0]=3 681 B4R0.2 ClCCCI MCULE-1521526833 [1,0,0,0,0,0|2,0,0]=3 682 B4R0.2 ClCSCCl MCULE-5228778525 [1,0,0,0,0,0|3,0,0]=4 683 B4R0.2 FCCCBr MCULE-5674735753 [1,0,0,0,0,0|2,0,0]=3 684 B4R0.2 FCCCF MCULE-1803511350 [1,0,0,0,0,0|2,0,0]=3 685 B4R0.2 FCCCI MCULE-9287814857 [1,0,0,0,0,0|2,0,0]=3 686 B4R0.2 ICCCI MCULE-9849754168 [1,0,0,0,0,0|2,0,0]=3 687 B4R0.2 ICOCI MCULE-4901830231 [1,0,0,0,0,0|3,0,0]=4 688 B4R0.2 N#CCCBr MCULE-1744180602 [1,0,0,0,0,0|2,0,1]=4 689 B4R0.2 N#CCCCl MCULE-3511379481 [1,0,0,0,0,0|2,0,1]=4 690 B4R0.2 N#CCCI MCULE-1591942951 [1,0,0,0,0,0|2,0,1]=4 691 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|2,0,1]=4 692 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|2,0,1]=4 693 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|1,0,1]=3 694 B4R0.2 N#CCCS MCULE-7199964466 [1,0,0,0,0,0|1,0,1]=3 695 B4R0.2 N#CCNO MCULE-6808474875 [1,0,0,0,0,0|2,0,1]=4 696 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|2,0,0]=3 697 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|2,0,0]=3 698 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|2,0,0]=3 699 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|2,0,0]=3 700 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|2,0,0]=3 701 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|2,0,0]=3 702 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|2,0,0]=3 703 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|2,0,0]=3 704 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,0]=3 705 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,0]=3 706 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,0]=3 707 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,0]=3 708 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,0]=3 709 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,0]=3 710 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|1,0,0]=2 711 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|1,0,0]=2 712 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|1,0,0]=2 713 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|1,0,0]=2 714 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|3,0,0]=4 715 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|3,0,0]=4 716 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|3,0,0]=4 717 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|3,0,0]=4 718 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|3,0,0]=4 719 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|2,0,0]=3 720 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|3,0,0]=4 721 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|3,0,0]=4 722 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|3,0,0]=4 723 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|3,0,0]=4 724 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|3,0,0]=4 725 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|2,0,0]=3 726 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|1,0,2]=4 727 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|1,0,2]=4 728 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|1,0,2]=4 729 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|0,1,1]=3 730 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|1,0,2]=4 731 B4R0.2 OCC#CBr MCULE-2495653455 [1,0,0,0,0,0|1,0,2]=4 732 B4R0.2 OCC#CI MCULE-1101149708 [1,0,0,0,0,0|1,0,2]=4 733 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|1,0,2]=4 734 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|1,0,2]=4 735 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|1,0,0]=2 736 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|1,0,0]=2 737 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|1,0,0]=2 738 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|1,0,0]=2 739 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|0,1,0]=2 740 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|0,0,0]=1 741 B4R0.2 ON=CCCl MCULE-5736695742 [1,0,0,0,0,0|2,0,1]=4 742 B4R0.2 PCCCP MCULE-6048146071 [1,0,0,0,0,0|2,0,0]=3 743 B4R0.2 SCCCBr MCULE-4627341228 [1,0,0,0,0,0|1,0,0]=2 744 B4R0.2 SCCCCl MCULE-6410389127 [1,0,0,0,0,0|1,0,0]=2 745 B4R0.2 SCCCS MCULE-8220630729 [1,0,0,0,0,0|0,1,0]=2 746 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [1,0,0,0,0,0|3,0,0]=4 747 B6R0.1 C#CC(N)COC MCULE-7083913188 [0,1,0,0,0,0|2,0,1]=4 748 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,1,0,0,0,0|2,0,1]=4 749 B6R0.1 C#CCC(C)CO MCULE-6139260605 [0,1,0,0,0,0|2,0,0]=3 750 B6R0.1 C#CCC(N)CC MCULE-4259544439 [0,1,0,0,0,0|3,0,0]=4 751 B6R0.1 C#CCC(N)CO MCULE-5669035635 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.1 C#CCC(O)CC MCULE-8783941008 [0,1,0,0,0,0|2,0,0]=3 753 B6R0.1 C#CC[C@@H](N)CO MCULE-2638776426 [0,1,0,0,0,0|2,0,0]=3 754 B6R0.1 C#CC[C@@H](N)CO MCULE-7710952185 [0,1,0,0,0,0|2,0,0]=3 755 B6R0.1 C#CC[C@H](N)CO MCULE-8069295628 [0,1,0,0,0,0|2,0,0]=3 756 B6R0.1 C#CC[C@H](N)CO MCULE-9440234580 [0,1,0,0,0,0|2,0,0]=3 757 B6R0.1 C=C(CC)CCO MCULE-5317656776 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.1 C=CC(N)COC MCULE-3217346081 [0,1,0,0,0,0|2,0,1]=4 762 B6R0.1 C=CC(O)CC#N MCULE-2128554895 [0,1,0,0,0,0|2,0,1]=4 763 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,1,0,0,0,0|3,0,0]=4 766 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,1,0,0,0,0|2,0,0]=3 767 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,1,0,0,0,0|3,0,0]=4 768 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,1,0,0,0,0|3,0,0]=4 769 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,1,0,0,0,0|2,0,0]=3 770 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,1,0,0,0,0|2,0,0]=3 771 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,1,0,0,0,0|2,0,0]=3 772 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [0,1,0,0,0,0|2,0,1]=4 774 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,1,0,0,0,0|2,0,0]=3 775 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,1,0,0,0,0|2,0,0]=3 776 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,1,0,0,0,0|2,0,0]=3 777 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,1,0,0,0,0|2,0,0]=3 778 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,1,0,0,0,0|2,0,0]=3 779 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,1,0,0,0,0|2,0,0]=3 780 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,1,0,0,0,0|2,0,0]=3 781 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,1,0,0,0,0|2,0,0]=3 782 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,1,0,0,0,0|2,0,0]=3 783 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,1,0,0,0,0|2,0,0]=3 784 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,1,0,0,0,0|2,0,0]=3 785 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,1,0,0,0,0|2,0,0]=3 786 B6R0.1 C=C[C@@H](O)CC#N MCULE-7370913372 [0,1,0,0,0,0|2,0,1]=4 787 B6R0.1 CC#CC(O)CC MCULE-9870271888 [0,1,0,0,0,0|2,0,1]=4 788 B6R0.1 CC(CN)CCN MCULE-2719332037 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.1 CC(CN)CCN MCULE-4200375624 [0,1,0,0,0,0|3,0,0]=4 790 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,1,0,0,0,0|2,0,0]=3 791 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,1,0,0,0,0|2,0,0]=3 792 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,1,0,0,0,0|1,1,0]=3 793 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,1,0,0,0,0|1,1,0]=3 794 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,1,0,0,0,0|2,0,1]=4 795 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,1,0,0,0,0|2,0,1]=4 796 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,1,0,0,0,0|2,0,1]=4 797 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,1,0,0,0,0|2,0,1]=4 798 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.1 CCC(Br)COC MCULE-7942540965 [0,1,0,0,0,0|2,0,0]=3 802 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,1,0,0,0,0|2,0,1]=4 803 B6R0.1 CCC(C)CC#N MCULE-8784266918 [0,1,0,0,0,0|3,0,0]=4 804 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.1 CCC(C)CCBr MCULE-6033010731 [0,1,0,0,0,0|3,0,0]=4 806 B6R0.1 CCC(C)CCCl MCULE-2069721626 [0,1,0,0,0,0|3,0,0]=4 807 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,1,0,0,0,0|3,0,0]=4 808 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,1,0,0,0,0|3,0,0]=4 809 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,1,0,0,0,0|2,0,0]=3 810 B6R0.1 CCC(C)CNC MCULE-1998406301 [0,1,0,0,0,0|3,0,0]=4 811 B6R0.1 CCC(C)CNC MCULE-5957910094 [0,1,0,0,0,0|3,0,0]=4 812 B6R0.1 CCC(C)CON MCULE-7033012303 [0,1,0,0,0,0|2,0,0]=3 813 B6R0.1 CCC(N)CC#N MCULE-9550652690 [0,1,0,0,0,0|3,0,0]=4 814 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,1,0,0,0,0|3,0,0]=4 815 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,1,0,0,0,0|2,0,0]=3 816 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,1,0,0,0,0|2,0,0]=3 817 B6R0.1 CCC(N)COC MCULE-2103613859 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.1 CCC(N)COC MCULE-5835446359 [0,1,0,0,0,0|2,0,0]=3 819 B6R0.1 CCC(N)CSC MCULE-9145513729 [0,1,0,0,0,0|2,0,0]=3 820 B6R0.1 CCC(O)CC#N MCULE-2542710031 [0,1,0,0,0,0|2,0,0]=3 821 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,1,0,0,0,0|2,0,0]=3 822 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,1,0,0,0,0|1,0,0]=2 823 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,1,0,0,0,0|2,0,0]=3 824 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,1,0,0,0,0|2,0,0]=3 825 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,1,0,0,0,0|2,0,0]=3 826 B6R0.1 CCC(O)COC MCULE-6751000060 [0,1,0,0,0,0|1,0,0]=2 827 B6R0.1 CCC(O)CSC MCULE-3582683720 [0,1,0,0,0,0|1,0,0]=2 828 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,1,0,0,0,0|1,1,0]=3 829 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|1,0,2]=4 830 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,1,0,0,0,0|3,0,0]=4 831 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,1,0,0,0,0|3,0,0]=4 832 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,1,0,0,0,0|3,0,0]=4 833 B6R0.1 CCCC(C)CCl MCULE-2381010454 [0,1,0,0,0,0|3,0,0]=4 834 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,1,0,0,0,0|3,0,0]=4 835 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,1,0,0,0,0|2,0,0]=3 836 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [0,1,0,0,0,0|3,0,0]=4 837 B6R0.1 CCCC(Cl)CCl MCULE-9464139069 [0,1,0,0,0,0|3,0,0]=4 838 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,1,0,0,0,0|3,0,0]=4 839 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,1,0,0,0,0|3,0,0]=4 840 B6R0.1 CCCC(N)CN MCULE-8606218569 [0,1,0,0,0,0|3,0,0]=4 841 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,0,0,0,0|2,0,0]=3 842 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,1,0,0,0,0|2,0,1]=4 846 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,1,0,0,0,0|2,0,0]=3 848 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,0,0,0,0|2,0,0]=3 850 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,1,0,0,0,0|1,0,0]=2 851 B6R0.1 CCCC(S)CC MCULE-1322481338 [0,1,0,0,0,0|2,1,0]=4 852 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [0,1,0,0,0,0|3,0,0]=4 853 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,0,0,0,0|2,0,0]=3 855 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,0,0,0,0|2,0,0]=3 856 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,0,0,0,0|2,0,0]=3 857 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [0,1,0,0,0,0|3,0,0]=4 860 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,0,0,0,0|2,0,0]=3 861 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,0,0,0,0|2,0,0]=3 862 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,0,0,0,0|2,0,0]=3 863 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,0,0,0,0|2,0,0]=3 864 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,1,0,0,0,0|2,0,0]=3 865 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,1,0,0,0,0|3,0,0]=4 866 B6R0.1 CCN(C)CCS MCULE-9974758531 [0,1,0,0,0,0|3,0,0]=4 867 B6R0.1 CCN(N)CCO MCULE-7988723724 [0,1,0,0,0,0|3,0,0]=4 868 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|1,0,2]=4 869 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,1,0,0,0,0|3,0,0]=4 871 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,1,0,0,0,0|2,0,0]=3 872 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,1,0,0,0,0|2,0,0]=3 873 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|1,0,2]=4 875 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,0,0,0,0|1,0,2]=4 876 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,1,0,0,0,0|3,0,0]=4 877 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,1,0,0,0,0|3,0,0]=4 878 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,1,0,0,0,0|3,0,0]=4 879 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,1,0,0,0,0|2,0,0]=3 880 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,1,0,0,0,0|3,0,0]=4 881 B6R0.1 CCS(=O)CCO MCULE-8290368918 [0,1,0,0,0,0|2,0,1]=4 882 B6R0.1 CC[C@@H](N)CC#N MCULE-3694594576 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.1 CC[C@@H](N)CC#N MCULE-9083117229 [0,1,0,0,0,0|3,0,0]=4 884 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [0,1,0,0,0,0|2,0,0]=3 885 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [0,1,0,0,0,0|2,0,0]=3 886 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [0,1,0,0,0,0|2,0,0]=3 887 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [0,1,0,0,0,0|2,0,0]=3 888 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [0,1,0,0,0,0|2,0,0]=3 889 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [0,1,0,0,0,0|2,0,0]=3 890 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,1,0,0,0,0|2,0,0]=3 891 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,1,0,0,0,0|2,0,0]=3 892 B6R0.1 CC[C@H](N)CC#N MCULE-9692545503 [0,1,0,0,0,0|3,0,0]=4 893 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [0,1,0,0,0,0|2,0,0]=3 894 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [0,1,0,0,0,0|2,0,0]=3 895 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [0,1,0,0,0,0|2,0,0]=3 896 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [0,1,0,0,0,0|2,0,0]=3 897 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,1,0,0,0,0|3,0,0]=4 898 B6R0.1 CNC(C)COC MCULE-6864731576 [0,1,0,0,0,0|3,0,0]=4 899 B6R0.1 CNC(C)COC MCULE-9135013355 [0,1,0,0,0,0|3,0,0]=4 900 B6R0.1 CNC(C)CSC MCULE-8293407208 [0,1,0,0,0,0|3,0,0]=4 901 B6R0.1 CNCC(C)CN MCULE-1889673811 [0,1,0,0,0,0|3,0,0]=4 902 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,1,0,0,0,0|2,0,0]=3 903 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,1,0,0,0,0|2,0,0]=3 905 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,1,0,0,0,0|1,0,0]=2 906 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,1,0,0,0,0|1,0,0]=2 907 B6R0.1 COC(C)CCO MCULE-7396381165 [0,1,0,0,0,0|3,0,0]=4 908 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,0,0,0,0|1,0,2]=4 909 B6R0.1 COCC(C)C#N MCULE-2978497753 [0,1,0,0,0,0|2,0,1]=4 910 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,1,0,0,0,0|1,1,1]=4 911 B6R0.1 COCC(C)CN MCULE-3223901774 [0,1,0,0,0,0|2,0,0]=3 912 B6R0.1 COCC(C)CO MCULE-7663064542 [0,1,0,0,0,0|1,1,0]=3 913 B6R0.1 COCC(C)OC MCULE-1583498700 [0,1,0,0,0,0|3,0,0]=4 914 B6R0.1 COCC(Cl)C#N MCULE-3128136686 [0,1,0,0,0,0|2,0,1]=4 915 B6R0.1 COCC(F)CN MCULE-2821685967 [0,1,0,0,0,0|2,0,0]=3 916 B6R0.1 COCC(F)CN MCULE-9691951401 [0,1,0,0,0,0|2,0,0]=3 917 B6R0.1 COCC(N)C#N MCULE-4816557518 [0,1,0,0,0,0|2,0,1]=4 918 B6R0.1 COCC(N)CN MCULE-1244199319 [0,1,0,0,0,0|2,0,0]=3 919 B6R0.1 COCC(N)CO MCULE-2141613120 [0,1,0,0,0,0|1,1,0]=3 920 B6R0.1 COCC(N)CO MCULE-3194232042 [0,1,0,0,0,0|1,1,0]=3 921 B6R0.1 COCC(N)CO MCULE-6545937769 [0,1,0,0,0,0|1,1,0]=3 922 B6R0.1 COCC(N)CO MCULE-7989665777 [0,1,0,0,0,0|1,1,0]=3 923 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,1,0,0,0,0|1,0,1]=3 924 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,1,0,0,0,0|1,0,0]=2 925 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,1,0,0,0,0|1,0,0]=2 926 B6R0.1 COCC(O)CF MCULE-1938415887 [0,1,0,0,0,0|1,0,0]=2 927 B6R0.1 COCC(O)CN MCULE-2044547388 [0,1,0,0,0,0|1,0,0]=2 928 B6R0.1 COCC(O)CN MCULE-2145726384 [0,1,0,0,0,0|1,0,0]=2 929 B6R0.1 COCC(O)CN MCULE-3637597204 [0,1,0,0,0,0|1,0,0]=2 930 B6R0.1 COCC(O)CO MCULE-1154104224 [0,1,0,0,0,0|0,1,0]=2 931 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,1,0,0,0,0|1,1,0]=3 932 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,1,0,0,0,0|1,1,0]=3 933 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,1,0,0,0,0|1,1,0]=3 934 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,1,0,0,0,0|1,1,0]=3 935 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,1,0,0,0,0|1,0,0]=2 936 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,1,0,0,0,0|1,0,0]=2 937 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,1,0,0,0,0|1,0,0]=2 938 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,1,0,0,0,0|1,1,0]=3 939 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [0,1,0,0,0,0|2,0,0]=3 940 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,1,0,0,0,0|1,1,0]=3 941 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,1,0,0,0,0|1,1,0]=3 942 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,1,0,0,0,0|1,1,0]=3 943 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,1,0,0,0,0|1,1,0]=3 944 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,1,0,0,0,0|1,0,0]=2 945 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,1,0,0,0,0|1,0,0]=2 946 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,0,0,0,0|2,0,1]=4 948 B6R0.1 CSCC(C)CN MCULE-4493405290 [0,1,0,0,0,0|2,0,0]=3 949 B6R0.1 CSCC(C)CO MCULE-3842820579 [0,1,0,0,0,0|1,0,0]=2 950 B6R0.1 CSCC(O)CO MCULE-6573013078 [0,1,0,0,0,0|0,0,0]=1 951 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,1,0,0,0,0|2,0,0]=3 952 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,1,0,0,0,0|2,0,0]=3 953 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,1,0,0,0,0|1,1,0]=3 954 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,1,0,0,0,0|1,1,0]=3 955 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,1,0,0,0,0|1,1,0]=3 956 B6R0.1 ClCC(Cl)CCBr MCULE-2469656567 [0,1,0,0,0,0|3,0,0]=4 957 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [0,1,0,0,0,0|3,0,0]=4 958 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [0,1,0,0,0,0|2,0,0]=3 959 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [0,1,0,0,0,0|2,0,0]=3 960 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [0,1,0,0,0,0|2,0,0]=3 961 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [0,1,0,0,0,0|2,0,0]=3 962 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [0,1,0,0,0,0|2,0,0]=3 963 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [0,1,0,0,0,0|2,0,0]=3 964 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,1,0,0,0,0|2,0,0]=3 965 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,1,0,0,0,0|1,1,0]=3 966 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,1,0,0,0,0|1,1,0]=3 967 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,1,0,0,0,0|2,0,0]=3 968 B6R0.1 NCCC(F)CN MCULE-9478589176 [0,1,0,0,0,0|3,0,0]=4 969 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,1,0,0,0,0|2,0,0]=3 970 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,1,0,0,0,0|1,0,0]=2 971 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,1,0,0,0,0|1,1,0]=3 972 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,1,0,0,0,0|1,1,0]=3 973 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,1,0,0,0,0|1,1,0]=3 974 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,1,0,0,0,0|1,1,0]=3 975 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [0,1,0,0,0,0|1,1,0]=3 976 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [0,1,0,0,0,0|1,1,0]=3 977 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [0,1,0,0,0,0|1,1,0]=3 978 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [0,1,0,0,0,0|1,1,0]=3 979 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,1,0,0,0,0|1,0,2]=4 980 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,1,0,0,0,0|1,0,1]=3 981 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,1,0,0,0,0|2,0,0]=3 982 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,1,0,0,0,0|2,0,0]=3 983 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,1,0,0,0,0|1,0,0]=2 984 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,1,0,0,0,0|0,1,0]=2 985 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,1,0,0,0,0|1,1,0]=3 986 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,1,0,0,0,0|0,1,0]=2 987 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,1,0,0,0,0|0,1,0]=2 988 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,1,0,0,0,0|1,0,0]=2 989 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,1,0,0,0,0|1,0,0]=2 990 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,1,0,0,0,0|1,0,0]=2 991 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,1,0,0,0,0|0,1,0]=2 992 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,1,0,0,0,0|0,1,0]=2 993 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,1,0,0,0,0|2,0,0]=3 994 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,1,0,0,0,0|2,0,0]=3 995 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,1,0,0,0,0|2,0,0]=3 996 B6R0.1 [C@@H](N)(CC)CC#N MCULE-3832898190 [0,1,0,0,0,0|3,0,0]=4 997 B6R0.1 [C@H](N)(CC)CC#N MCULE-3962570164 [0,1,0,0,0,0|3,0,0]=4 998 B6R0.1 [NH3+]CCC(F)C[NH3+] MCULE-8320233584 [0,1,0,0,0,0|3,0,0]=4 999 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,2]=4 1000 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [0,1,0,0,0,0|2,0,1]=4 1001 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [0,1,0,0,0,0|2,0,1]=4 1002 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [0,1,0,0,0,0|2,0,1]=4 1003 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|1,1,1]=4 1004 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|1,1,1]=4 1005 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,1,0,0,0,0|2,0,1]=4 1006 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,2]=4 1007 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,1,0,0,0,0|2,0,1]=4 1008 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,1,0,0,0,0|2,0,1]=4 1009 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,1,0,0,0,0|2,0,1]=4 1010 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,1,0,0,0,0|2,0,1]=4 1011 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,1,0,0,0,0|2,0,1]=4 1012 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,1,0,0,0,0|2,0,1]=4 1013 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,1,0,0,0,0|2,0,1]=4 1014 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|1,1,1]=4 1015 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|1,1,1]=4 1016 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|1,1,1]=4 1017 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [0,1,0,0,0,0|2,0,1]=4 1018 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,1,0,0,0,0|1,0,2]=4 1019 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [0,1,0,0,0,0|3,0,0]=4 1020 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [0,1,0,0,0,0|3,0,0]=4 1021 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [0,1,0,0,0,0|3,0,0]=4 1022 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,1,0,0,0,0|2,0,0]=3 1023 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,1,0,0,0,0|3,0,0]=4 1024 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,1,0,0,0,0|3,0,0]=4 1025 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,1,0,0,0,0|3,0,0]=4 1026 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,1,0,0,0,0|3,0,0]=4 1027 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,1,0,0,0,0|2,0,0]=3 1028 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,1,0,0,0,0|2,0,0]=3 1029 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,1,0,0,0,0|2,0,0]=3 1030 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [0,1,0,0,0,0|2,0,1]=4 1031 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,1,0,0,0,0|2,0,0]=3 1032 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,1,0,0,0,0|2,0,0]=3 1033 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,1,0,0,0,0|2,0,0]=3 1034 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,1,0,0,0,0|2,0,0]=3 1035 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,1,0,0,0,0|1,0,0]=2 1036 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,1,0,0,0,0|1,1,0]=3 1037 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,1,0,0,0,0|2,0,0]=3 1038 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,1,0,0,0,0|2,0,0]=3 1039 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,1,0,0,0,0|3,0,0]=4 1040 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,1,0,0,0,0|3,0,0]=4 1041 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,1,0,0,0,0|2,0,0]=3 1042 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,1,0,0,0,0|2,0,0]=3 1043 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,1,0,0,0,0|2,0,0]=3 1044 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,1,0,0,0,0|3,0,0]=4 1045 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,1,0,0,0,0|3,0,0]=4 1046 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,1,0,0,0,0|3,0,0]=4 1047 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,1,0,0,0,0|2,0,0]=3 1048 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,1,0,0,0,0|2,0,0]=3 1049 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,1,0,0,0,0|2,0,0]=3 1050 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,1,0,0,0,0|2,0,0]=3 1051 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|2,0,1]=4 1052 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|2,0,1]=4 1053 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|2,0,1]=4 1055 B6R0.3 CC(CN)C(F)F MCULE-3764511329 [0,1,0,0,0,0|3,0,0]=4 1056 B6R0.3 CC(CN)C(F)F MCULE-3885392808 [0,1,0,0,0,0|3,0,0]=4 1057 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,1,1]=4 1058 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|1,1,1]=4 1059 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|2,1,0]=4 1060 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,1,0,0,0,0|3,0,0]=4 1061 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,1,0,0,0,0|3,0,0]=4 1062 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,0,1]=3 1063 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,1,0,0,0,0|2,0,0]=3 1064 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,1,0,0,0,0|2,0,0]=3 1065 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,1,0,0,0,0|1,0,0]=2 1066 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,1,0,0,0,0|2,0,1]=4 1067 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|2,0,0]=3 1068 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|1,1,0]=3 1069 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|2,0,0]=3 1070 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|2,0,0]=3 1071 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|1,1,0]=3 1072 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|1,0,0]=2 1073 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|0,1,0]=2 1074 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,1,0,0,0,0|1,0,0]=2 1075 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,1,0,0,0,0|1,0,2]=4 1076 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,1,0,0,0,0|1,0,2]=4 1077 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|2,0,1]=4 1078 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,1,0,0,0,0|3,0,0]=4 1079 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|2,0,1]=4 1080 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|2,0,1]=4 1081 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,1,0,0,0,0|3,0,0]=4 1082 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [0,1,0,0,0,0|3,0,0]=4 1083 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [0,1,0,0,0,0|3,0,0]=4 1084 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,1,0,0,0,0|3,0,0]=4 1085 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,1,0,0,0,0|3,0,0]=4 1086 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,0,0,0,0|2,0,0]=3 1087 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|2,0,1]=4 1088 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|2,0,1]=4 1089 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|2,0,1]=4 1090 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|2,0,1]=4 1091 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|2,0,1]=4 1092 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|2,0,1]=4 1093 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,1,0,0,0,0|3,0,0]=4 1094 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,1,0,0,0,0|3,0,0]=4 1095 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,0,0,0,0|2,0,0]=3 1096 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,0,0,0,0|2,0,0]=3 1097 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,1,0,0,0,0|3,0,0]=4 1098 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,1,0,0,0,0|3,0,0]=4 1099 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|1,0,2]=4 1100 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,1]=3 1101 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,1]=3 1102 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|1,0,2]=4 1103 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|1,0,2]=4 1104 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,1,0,0,0,0|2,0,0]=3 1105 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,1,0,0,0,0|2,0,0]=3 1106 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,0,0,0,0|1,0,0]=2 1107 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,1,1]=4 1108 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|2,0,1]=4 1109 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|2,0,1]=4 1110 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|2,0,1]=4 1111 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|2,0,1]=4 1112 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|2,0,1]=4 1113 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|2,0,1]=4 1114 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|2,0,1]=4 1115 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|2,0,1]=4 1116 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|2,0,1]=4 1117 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|2,0,1]=4 1118 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,0,0,0,0|2,0,0]=3 1119 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,0,0,0,0|2,0,0]=3 1120 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,1]=3 1121 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,1]=3 1122 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,1,0,0,0,0|2,0,0]=3 1123 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|2,0,1]=4 1124 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|2,0,1]=4 1125 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|2,0,1]=4 1126 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|2,0,1]=4 1127 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|2,0,1]=4 1128 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|2,0,1]=4 1129 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|2,0,1]=4 1130 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|2,0,1]=4 1131 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|2,0,1]=4 1132 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|2,0,1]=4 1133 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|2,0,1]=4 1134 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,1,0,0,0,0|3,0,0]=4 1135 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,1,0,0,0,0|3,0,0]=4 1136 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,0,0,0,0|2,0,0]=3 1137 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,0,0,0,0|2,0,0]=3 1138 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,0,0,0,0|2,0,0]=3 1139 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,0,0,0,0|2,0,0]=3 1140 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,0,0,0,0|2,0,0]=3 1141 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,0,0,0,0|2,0,0]=3 1142 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,1]=3 1143 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,1]=3 1144 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|1,0,2]=4 1145 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,1,0,0,0,0|2,0,0]=3 1146 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,1,0,0,0,0|3,0,0]=4 1147 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,1,0,0,0,0|3,0,0]=4 1148 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|2,0,1]=4 1149 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|2,0,1]=4 1150 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|2,0,1]=4 1151 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|2,0,1]=4 1152 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,1,1]=4 1153 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,1,1]=4 1154 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,1,0,0,0,0|3,0,0]=4 1155 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [0,1,0,0,0,0|3,0,0]=4 1156 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [0,1,0,0,0,0|3,0,0]=4 1157 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [0,1,0,0,0,0|3,0,0]=4 1158 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|1,1,0]=3 1159 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|1,1,0]=3 1160 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|1,1,0]=3 1161 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|1,1,0]=3 1162 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|1,1,0]=3 1163 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|1,1,0]=3 1164 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|2,0,1]=4 1165 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|2,0,1]=4 1166 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|2,0,1]=4 1167 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|2,0,1]=4 1168 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,1,1]=4 1169 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,1,1]=4 1170 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|1,1,1]=4 1171 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|1,1,0]=3 1172 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|1,1,0]=3 1173 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|1,1,0]=3 1174 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|1,1,0]=3 1175 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|1,1,0]=3 1176 B6R0.3 ClCC(Cl)C(Cl)Cl MCULE-6272586982 [0,1,0,0,0,0|3,0,0]=4 1177 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|1,1,1]=4 1178 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|1,1,1]=4 1179 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|1,0,2]=4 1180 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|1,0,2]=4 1181 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|1,1,1]=4 1182 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|1,1,1]=4 1183 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|1,1,1]=4 1184 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|1,0,2]=4 1185 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|1,1,1]=4 1186 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|1,1,1]=4 1187 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|1,1,1]=4 1188 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|1,1,1]=4 1189 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|2,0,1]=4 1190 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|2,0,1]=4 1191 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|2,0,1]=4 1192 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|2,0,1]=4 1193 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,1,1]=4 1194 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,1,1]=4 1195 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,0,1]=3 1196 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,0,1]=3 1197 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,0,1]=3 1198 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,0,1]=3 1199 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|2,0,1]=4 1200 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|2,0,1]=4 1201 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|2,0,1]=4 1202 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|2,0,1]=4 1203 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|2,0,1]=4 1204 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|2,0,1]=4 1205 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|2,0,1]=4 1206 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|2,0,1]=4 1207 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|2,0,1]=4 1208 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|1,0,2]=4 1209 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|1,0,2]=4 1210 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,1]=3 1211 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,1]=3 1212 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,1,0,0,0,0|2,0,0]=3 1214 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|2,0,1]=4 1215 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|2,0,1]=4 1217 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|2,0,1]=4 1218 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|2,0,1]=4 1221 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,1]=3 1222 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,1]=3 1223 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|2,0,1]=4 1224 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|2,0,1]=4 1225 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|2,0,1]=4 1226 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|2,0,1]=4 1227 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|2,0,1]=4 1228 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|2,0,1]=4 1229 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|2,0,1]=4 1230 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|2,0,1]=4 1231 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|2,0,1]=4 1232 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|2,0,1]=4 1233 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,1]=3 1234 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,1]=3 1235 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|2,0,1]=4 1236 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|2,0,1]=4 1237 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|2,0,1]=4 1238 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|2,0,1]=4 1239 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,1,1]=4 1240 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,1,1]=4 1241 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,1,1]=4 1242 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,1,1]=4 1243 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,0,1]=3 1244 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,0,1]=3 1245 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,0,1]=3 1246 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,0,1]=3 1247 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|2,0,1]=4 1248 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|2,0,1]=4 1249 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|2,0,1]=4 1250 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|2,0,1]=4 1251 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|2,0,1]=4 1252 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|2,0,1]=4 1253 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,1,1]=4 1254 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,1,1]=4 1255 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,0,1]=3 1256 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,0,1]=3 1257 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,0,1]=3 1258 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,0,1]=3 1259 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|0,0,3]=4 1260 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|2,0,1]=4 1261 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|2,0,1]=4 1262 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,1,1]=4 1263 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|2,0,1]=4 1264 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,1,1]=4 1265 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|2,0,1]=4 1266 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,1]=3 1267 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,1]=3 1268 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|0,1,1]=3 1269 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,1,1]=4 1270 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,1,1]=4 1271 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,1]=3 1272 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|0,1,1]=3 1273 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|0,1,1]=3 1274 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,1,1]=4 1275 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,1,1]=4 1276 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,1]=3 1277 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|0,1,1]=3 1278 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|2,1,0]=4 1279 B6R0.3 OC(CBr)C(F)F MCULE-2512834773 [0,1,0,0,0,0|2,0,0]=3 1280 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,1,0,0,0,0|1,0,0]=2 1281 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,1,0,0,0,0|1,0,0]=2 1282 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|2,0,1]=4 1283 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|1,1,1]=4 1284 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,1,1]=4 1285 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,1,1]=4 1286 B6R0.8 C#CC(C)(C)CO MCULE-2912434983 [0,1,0,0,0,0|2,0,1]=4 1287 B6R0.8 C#CC(C)(O)CC MCULE-6936841705 [0,1,0,0,0,0|2,0,1]=4 1288 B6R0.8 C=CC(C)(C)CO MCULE-8447675743 [0,1,0,0,0,0|2,0,1]=4 1289 B6R0.8 C=CC(C)(O)CBr MCULE-8151064620 [0,1,0,0,0,0|2,0,1]=4 1290 B6R0.8 C=CC(C)(O)CC MCULE-7004958709 [0,1,0,0,0,0|2,0,1]=4 1291 B6R0.8 C=CC(C)(O)CN MCULE-2921164232 [0,1,0,0,0,0|2,0,1]=4 1292 B6R0.8 C=CC(F)(F)CO MCULE-9070059513 [0,1,0,0,0,0|2,0,1]=4 1293 B6R0.8 CC(C)(C#N)CO MCULE-3713618417 [0,1,0,0,0,0|2,0,1]=4 1294 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,1,0,0,0,0|1,1,1]=4 1295 B6R0.8 CC(C)(CBr)CBr MCULE-3867295521 [0,1,0,0,0,0|3,0,0]=4 1296 B6R0.8 CC(C)(CCl)CCl MCULE-4414378658 [0,1,0,0,0,0|3,0,0]=4 1297 B6R0.8 CC(C)(CN)CF MCULE-4530368386 [0,1,0,0,0,0|3,0,0]=4 1298 B6R0.8 CC(C)(CN)CF MCULE-7783060235 [0,1,0,0,0,0|3,0,0]=4 1299 B6R0.8 CC(C)(CN)CN MCULE-6969888863 [0,1,0,0,0,0|3,0,0]=4 1300 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,1,0,0,0,0|2,0,0]=3 1301 B6R0.8 CC(C)(CO)CBr MCULE-5392401561 [0,1,0,0,0,0|2,0,0]=3 1302 B6R0.8 CC(C)(CO)CCl MCULE-4674403441 [0,1,0,0,0,0|2,0,0]=3 1303 B6R0.8 CC(C)(CO)CF MCULE-4462488929 [0,1,0,0,0,0|2,0,0]=3 1304 B6R0.8 CC(C)(CO)CO MCULE-3663555151 [0,1,0,0,0,0|1,1,0]=3 1305 B6R0.8 CC(C)(CO)CS MCULE-2478254611 [0,1,0,0,0,0|1,0,0]=2 1306 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,1,0,0,0,0|3,0,0]=4 1307 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,1,0,0,0,0|3,0,0]=4 1308 B6R0.8 CC(F)(CO)CO MCULE-6086305692 [0,1,0,0,0,0|1,1,0]=3 1309 B6R0.8 CC(N)(C#N)CO MCULE-2492555292 [0,1,0,0,0,0|2,0,1]=4 1310 B6R0.8 CC(N)(CO)CO MCULE-6546409175 [0,1,0,0,0,0|1,1,0]=3 1311 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,1,0,0,0,0|1,0,0]=2 1312 B6R0.8 CC(O)(CO)CO MCULE-5281000424 [0,1,0,0,0,0|0,1,0]=2 1313 B6R0.8 CCC(C)(Br)CC MCULE-6306783726 [0,1,0,0,0,0|3,0,0]=4 1314 B6R0.8 CCC(C)(C)CC MCULE-7259470376 [0,1,0,0,0,0|3,0,0]=4 1315 B6R0.8 CCC(C)(C)CN MCULE-2321746087 [0,1,0,0,0,0|3,0,0]=4 1316 B6R0.8 CCC(C)(C)CN MCULE-9058132626 [0,1,0,0,0,0|3,0,0]=4 1317 B6R0.8 CCC(C)(C)CO MCULE-9731698451 [0,1,0,0,0,0|2,0,0]=3 1318 B6R0.8 CCC(C)(Cl)CC MCULE-2958469449 [0,1,0,0,0,0|3,0,0]=4 1319 B6R0.8 CCC(C)(N)CC MCULE-6775882748 [0,1,0,0,0,0|3,0,0]=4 1320 B6R0.8 CCC(C)(N)CC MCULE-8120212652 [0,1,0,0,0,0|3,0,0]=4 1321 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [0,1,0,0,0,0|3,0,0]=4 1322 B6R0.8 CCC(C)(N)CO MCULE-3364837123 [0,1,0,0,0,0|2,0,0]=3 1323 B6R0.8 CCC(C)(N)CO MCULE-6671299764 [0,1,0,0,0,0|2,0,0]=3 1324 B6R0.8 CCC(C)(O)C#N MCULE-9698927439 [0,1,0,0,0,0|2,0,1]=4 1325 B6R0.8 CCC(C)(O)CC MCULE-2300322554 [0,1,0,0,0,0|2,0,0]=3 1326 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,1,0,0,0,0|2,0,0]=3 1327 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [0,1,0,0,0,0|1,0,0]=2 1328 B6R0.8 CCC(F)(F)CN MCULE-5083755501 [0,1,0,0,0,0|3,0,0]=4 1329 B6R0.8 CCC(F)(F)CO MCULE-9442155245 [0,1,0,0,0,0|2,0,0]=3 1330 B6R0.8 CCP(=O)(O)CC MCULE-3198153356 [0,1,0,0,0,0|3,0,0]=4 1331 B6R0.8 CNC(C)(C)CO MCULE-6733742999 [0,1,0,0,0,0|3,0,0]=4 1332 B6R0.8 CNC(C)(C)CO MCULE-8497514322 [0,1,0,0,0,0|3,0,0]=4 1333 B6R0.8 COC(C)(C)CO MCULE-2208581417 [0,1,0,0,0,0|3,0,0]=4 1334 B6R0.8 CSC(C)(C)CO MCULE-7955741611 [0,1,0,0,0,0|3,0,0]=4 1335 B6R0.8 C[C@](O)(CO)CBr MCULE-3211170790 [0,1,0,0,0,0|1,0,0]=2 1336 B6R0.8 ClCC(Cl)(Br)CBr MCULE-1627044256 [0,1,0,0,0,0|3,0,0]=4 1337 B6R0.8 ClCC(Cl)(Cl)CCl MCULE-3157740012 [0,1,0,0,0,0|3,0,0]=4 1338 B6R0.8 NCC(F)(F)CN MCULE-2462642769 [0,1,0,0,0,0|3,0,0]=4 1339 B6R0.8 NCC(F)(F)CN MCULE-3947197028 [0,1,0,0,0,0|3,0,0]=4 1340 B6R0.8 NCC(F)(F)CO MCULE-1734067533 [0,1,0,0,0,0|2,0,0]=3 1341 B6R0.8 NCC(F)(F)CO MCULE-6456961834 [0,1,0,0,0,0|2,0,0]=3 1342 B6R0.8 O=P(O)(CBr)CBr MCULE-3993361339 [0,1,0,0,0,0|3,0,0]=4 1343 B6R0.8 O=P(O)(CCl)CCl MCULE-6792915019 [0,1,0,0,0,0|3,0,0]=4 1344 B6R0.8 O=P(O)(CI)CI MCULE-1563566081 [0,1,0,0,0,0|3,0,0]=4 1345 B6R0.8 OCC(F)(F)CO MCULE-8504062479 [0,1,0,0,0,0|1,1,0]=3 1346 B6R0.9 C#CC(CC)CC MCULE-6184220024 [0,1,0,0,0,0|3,0,0]=4 1347 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,1,0,0,0,0|2,0,1]=4 1348 B6R0.9 CCB(CC)OC MCULE-5839415433 [0,1,0,0,0,0|3,0,0]=4 1349 B6R0.9 CCC(=CO)CC MCULE-4973169590 [0,1,0,0,0,0|2,0,1]=4 1350 B6R0.9 CCC(=CO)CC MCULE-8459100577 [0,1,0,0,0,0|2,0,1]=4 1351 B6R0.9 CCC(C#N)CC MCULE-1817171032 [0,1,0,0,0,0|3,0,0]=4 1352 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,1,0,0,0,0|2,0,1]=4 1353 B6R0.9 CCC(CBr)CBr MCULE-6164388407 [0,1,0,0,0,0|3,0,0]=4 1354 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,1,0,0,0,0|2,0,0]=3 1355 B6R0.9 CCC(CC)CBr MCULE-7035205946 [0,1,0,0,0,0|3,0,0]=4 1356 B6R0.9 CCC(CC)CC MCULE-4259310191 [0,1,0,0,0,0|3,0,0]=4 1357 B6R0.9 CCC(CC)CI MCULE-7444274747 [0,1,0,0,0,0|3,0,0]=4 1358 B6R0.9 CCC(CC)CN MCULE-2344837203 [0,1,0,0,0,0|3,0,0]=4 1359 B6R0.9 CCC(CC)CN MCULE-5753995416 [0,1,0,0,0,0|3,0,0]=4 1360 B6R0.9 CCC(CC)CO MCULE-8799293985 [0,1,0,0,0,0|2,0,0]=3 1361 B6R0.9 CCC(CC)NC MCULE-5581389070 [0,1,0,0,0,0|3,0,0]=4 1362 B6R0.9 CCC(CC)NC MCULE-9713693117 [0,1,0,0,0,0|3,0,0]=4 1363 B6R0.9 CCC(CC)NN MCULE-2238567966 [0,1,0,0,0,0|3,0,0]=4 1364 B6R0.9 CCC(CC)NN MCULE-6799511276 [0,1,0,0,0,0|3,0,0]=4 1365 B6R0.9 CCC(CC)NN MCULE-7243313185 [0,1,0,0,0,0|3,0,0]=4 1366 B6R0.9 CCC(CN)CN MCULE-8523664234 [0,1,0,0,0,0|3,0,0]=4 1367 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,1,0,0,0,0|2,0,0]=3 1368 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,1,0,0,0,0|2,0,0]=3 1369 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,1,0,0,0,0|2,0,0]=3 1370 B6R0.9 CCC(CO)CO MCULE-5204077076 [0,1,0,0,0,0|1,0,0]=2 1371 B6R0.9 CCC(CO)NC MCULE-4151180539 [0,1,0,0,0,0|2,0,0]=3 1372 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,1,0,0,0,0|1,0,0]=2 1373 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,1,0,0,0,0|3,0,0]=4 1374 B6R0.9 CCN(CC)CO MCULE-9782453115 [0,1,0,0,0,0|3,0,0]=4 1375 B6R0.9 CC[C@@H](CO)NC MCULE-6281808613 [0,1,0,0,0,0|2,0,0]=3 1376 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,1,0,0,0,0|2,0,0]=3 1377 B6R0.9 CNC(CO)CO MCULE-9323859576 [0,1,0,0,0,0|1,1,0]=3 1378 B6R0.9 COC(C#N)CBr MCULE-7382241537 [0,1,0,0,0,0|2,0,1]=4 1379 B6R0.9 COC(CBr)OC MCULE-2277122528 [0,1,0,0,0,0|3,0,0]=4 1380 B6R0.9 COC(CCl)OC MCULE-2320305704 [0,1,0,0,0,0|3,0,0]=4 1381 B6R0.9 COC(CN)CN MCULE-3870266689 [0,1,0,0,0,0|2,0,0]=3 1382 B6R0.9 COC(CN)CO MCULE-2486586573 [0,1,0,0,0,0|1,0,0]=2 1383 B6R0.9 COC(CN)CO MCULE-3908535917 [0,1,0,0,0,0|1,0,0]=2 1384 B6R0.9 COC(CN)OC MCULE-1003844122 [0,1,0,0,0,0|3,0,0]=4 1385 B6R0.9 COC(CO)CBr MCULE-4957036064 [0,1,0,0,0,0|1,0,0]=2 1386 B6R0.9 COC(CO)CO MCULE-4778743592 [0,1,0,0,0,0|0,1,0]=2 1387 B6R0.9 COC(CO)OC MCULE-1980066235 [0,1,0,0,0,0|2,0,0]=3 1388 B6R0.9 COC(CS)OC MCULE-2408457054 [0,1,0,0,0,0|2,0,0]=3 1389 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,1,0,0,0,0|1,0,0]=2 1390 B6R0.9 OCC(=NO)CO MCULE-1131100831 [0,1,0,0,0,0|0,1,1]=3 1391 B6R0.9 OCC(CBr)CBr MCULE-4153091765 [0,1,0,0,0,0|2,0,0]=3 1392 B6R0.9 OCC(CO)CO MCULE-7640074192 [0,1,0,0,0,0|0,1,0]=2 1393 B6R0.9 OCP(CO)CO MCULE-9792692156 [0,1,0,0,0,0|1,1,0]=3 1394 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [0,0,0,1,0,0|3,0,0]=4 1395 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,1,0,0|3,0,0]=4 1396 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,1,0,0|3,0,0]=4 1397 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,1,0,0|3,0,0]=4 1398 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,1,0,0|3,0,0]=4 1399 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,1,0,0|2,0,0]=3 1400 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,0,0,1,0,0|2,0,0]=3 1401 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,1,0,0|3,0,0]=4 1402 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,1,0,0|3,0,0]=4 1403 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,1,0,0|3,0,0]=4 1404 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,1,0,0|3,0,0]=4 1405 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,1,0,0|3,0,0]=4 1406 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,1,0,0|3,0,0]=4 1407 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,1,0,0|3,0,0]=4 1408 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,1,0,0|3,0,0]=4 1409 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,1,0,0|2,0,0]=3 1410 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,0,0,1,0,0|3,0,0]=4 1411 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,0,0,1,0,0|3,0,0]=4 1412 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,0,0,1,0,0|3,0,0]=4 1413 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,0,0,1,0,0|3,0,0]=4 1414 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,1,0,0|2,0,0]=3 1415 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,1,0,0|2,0,0]=3 1416 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,1,0,0|2,0,0]=3 1417 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,1,0,0|2,0,0]=3 1418 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,1,0,0|2,0,0]=3 1419 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|1,0,0]=2 1420 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,1,0,0|2,0,1]=4 1421 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,1,0,0|3,0,0]=4 1422 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,0,0,1,0,0|3,0,0]=4 1423 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,0,0,1,0,0|3,0,0]=4 1424 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,1,0,0|2,0,0]=3 1425 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,0,0,1,0,0|2,0,0]=3 1426 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,0,0,1,0,0|2,0,0]=3 1427 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,0,0,1,0,0|2,0,0]=3 1428 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,1,0,0|3,0,0]=4 1429 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,0,0,1,0,0|3,0,0]=4 1430 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,0,0,1,0,0|3,0,0]=4 1431 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,0,0,1,0,0|3,0,0]=4 1432 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,0,0,1,0,0|3,0,0]=4 1433 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,0,0,1,0,0|3,0,0]=4 1434 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,0,0,1,0,0|3,0,0]=4 1435 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,0,0,1,0,0|3,0,0]=4 1436 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,0,0,1,0,0|3,0,0]=4 1437 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,0,0,1,0,0|3,0,0]=4 1438 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,1,0,0|3,0,0]=4 1439 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,0,0,1,0,0|3,0,0]=4 1440 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,0,0,1,0,0|3,0,0]=4 1441 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,0,0,1,0,0|3,0,0]=4 1442 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,0,0,1,0,0|3,0,0]=4 1443 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,1,0,0|2,0,0]=3 1444 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,0,0,1,0,0|3,0,0]=4 1445 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,0,0,1,0,0|3,0,0]=4 1446 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,0,0,1,0,0|3,0,0]=4 1447 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,0,0,1,0,0|3,0,0]=4 1448 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,0,0,1,0,0|3,0,0]=4 1449 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,0,0,1,0,0|3,0,0]=4 1450 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,0,0,1,0,0|3,0,0]=4 1451 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,0,0,1,0,0|3,0,0]=4 1452 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,1,0,0|3,0,0]=4 1453 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,0,0,1,0,0|3,0,0]=4 1454 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,0,0,1,0,0|3,0,0]=4 1455 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,0,0,1,0,0|2,0,0]=3 1456 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,0,0,1,0,0|2,0,0]=3 1457 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,0,0,1,0,0|3,0,0]=4 1458 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,0,0,1,0,0|3,0,0]=4 1459 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,0,0,1,0,0|3,0,0]=4 1460 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,0,0,1,0,0|3,0,0]=4 1461 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,0,0,1,0,0|3,0,0]=4 1462 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,0,0,1,0,0|3,0,0]=4 1463 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,0,0,1,0,0|3,0,0]=4 1464 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,0,0,1,0,0|3,0,0]=4 1465 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,1,0,0|3,0,0]=4 1466 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,0,0,1,0,0|3,0,0]=4 1467 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,0,0,1,0,0|3,0,0]=4 1468 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,1,0,0|2,0,0]=3 1469 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,0,0,1,0,0|3,0,0]=4 1470 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,0,0,1,0,0|3,0,0]=4 1471 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,0,0,1,0,0|3,0,0]=4 1472 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,0,0,1,0,0|3,0,0]=4 1473 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,1,0,0|2,0,0]=3 1474 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,1,0,0|2,0,0]=3 1475 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,0,0,1,0,0|3,0,0]=4 1476 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,0,0,1,0,0|3,0,0]=4 1477 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,1,0,0|2,0,0]=3 1478 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,1,0,0|2,0,0]=3 1479 B6R1.2 NC1CC=CC1 MCULE-3815719332 [0,0,0,1,0,0|3,0,0]=4 1480 B6R1.2 NC1CC=CC1 MCULE-9984030144 [0,0,0,1,0,0|3,0,0]=4 1481 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,1,0,0|3,0,0]=4 1482 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,1,0,0|3,0,0]=4 1483 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,1,0,0|3,0,0]=4 1484 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,1,0,0|3,0,0]=4 1485 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,1,0,0|2,0,0]=3 1486 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,1,0,0|2,0,0]=3 1487 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,0,0,1,0,0|2,0,0]=3 1488 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,0,0,1,0,0|2,0,0]=3 1489 B6R1.2 NC1CSSC1 MCULE-4887591316 [0,0,0,1,0,0|1,1,0]=3 1490 B6R1.2 NC1CSSC1 MCULE-5524609325 [0,0,0,1,0,0|1,1,0]=3 1491 B6R1.2 NC1CSSC1 MCULE-9014844047 [0,0,0,1,0,0|1,1,0]=3 1492 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,1,0,0|3,0,0]=4 1493 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,1,0,0|3,0,0]=4 1494 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,1,0,0|3,0,0]=4 1495 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,1,0,0|3,0,0]=4 1496 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,1,0,0|2,0,0]=3 1497 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,1,0,0|2,0,0]=3 1498 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,1,0,0|2,0,0]=3 1499 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,1,0,0|2,0,0]=3 1500 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,1,0,0|3,0,0]=4 1501 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,1,0,0|3,0,0]=4 1502 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,1,0,0|3,0,0]=4 1503 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,1,0,0|3,0,0]=4 1504 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,1,0,0|2,0,0]=3 1505 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,1,0,0|2,0,0]=3 1506 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,1,0,0|2,0,0]=3 1507 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,1,0,0|2,0,0]=3 1508 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|1,0,2]=4 1509 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|1,0,2]=4 1510 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|2,0,1]=4 1511 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,0,0,1,0,0|2,0,0]=3 1512 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,1,0,0|2,0,0]=3 1513 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,1,0,0|3,0,0]=4 1514 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,1,0,0|3,0,0]=4 1515 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,1,0,0|2,0,0]=3 1516 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,1,0,0|2,0,0]=3 1517 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|1,0,0]=2 1518 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,1,0,0|1,0,0]=2 1519 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,0,0,1,0,0|1,0,0]=2 1520 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,0,0,1,0,0|1,0,0]=2 1521 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,0,0,1,0,0|1,0,0]=2 1522 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,0,0,1,0,0|1,0,0]=2 1523 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,1,0,0|2,0,0]=3 1524 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,1,0,0|2,0,0]=3 1525 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,1,0,0|2,0,0]=3 1526 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,1,0,0|2,0,0]=3 1527 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|1,0,0]=2 1528 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|1,0,0]=2 1529 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|1,0,0]=2 1530 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,1,0,0|1,0,0]=2 1531 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,1,0,0|1,0,0]=2 1532 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,0,0,1,0,0|1,0,0]=2 1533 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,0,0,1,0,0|1,0,0]=2 1534 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,0,0,1,0,0|1,0,0]=2 1535 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,0,0,1,0,0|1,0,0]=2 1536 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,1,0,0|2,0,0]=3 1537 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,1,0,0|2,0,0]=3 1538 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,1,0,0|2,0,0]=3 1539 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,1,0,0|2,0,0]=3 1540 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|1,0,0]=2 1541 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|1,0,0]=2 1542 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,0,0,1,0,0|1,0,0]=2 1543 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,0,0,1,0,0|1,0,0]=2 1544 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,0,0,1,0,0|1,0,0]=2 1545 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,0,0,1,0,0|1,0,0]=2 1546 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,1,0,0|2,1,0]=4 1547 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,1,0,0|1,1,0]=3 1548 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,0,0,1,0,0|1,1,0]=3 1549 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,0,0,1,0,0|3,0,0]=4 1550 B6R1.4 CC1CCC1N MCULE-9634057678 [0,0,0,1,0,0|3,0,0]=4 1551 B6R1.4 CC1CCC1N MCULE-9849489304 [0,0,0,1,0,0|3,0,0]=4 1552 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,1,0,0|2,0,0]=3 1553 B6R1.4 CC1CNC1C MCULE-6217110869 [0,0,0,1,0,0|3,0,0]=4 1554 B6R1.4 CC1CNC1C MCULE-8966220604 [0,0,0,1,0,0|3,0,0]=4 1555 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|1,1,1]=4 1556 B6R1.4 CC1NCC1F MCULE-2205876595 [0,0,0,1,0,0|3,0,0]=4 1557 B6R1.4 CC1NCC1F MCULE-3575637458 [0,0,0,1,0,0|3,0,0]=4 1558 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,1,0,0|2,0,0]=3 1559 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,1,0,0|2,0,0]=3 1560 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,0,0|1,0,2]=4 1561 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,1,0,0|1,0,0]=2 1562 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,0,0,1,0,0|3,0,0]=4 1563 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,0,0,1,0,0|3,0,0]=4 1564 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,0,0,1,0,0|3,0,0]=4 1565 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,0,0,1,0,0|3,0,0]=4 1566 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,0,0,1,0,0|3,0,0]=4 1567 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,0,0,1,0,0|3,0,0]=4 1568 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,0,0,1,0,0|3,0,0]=4 1569 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,0,0,1,0,0|3,0,0]=4 1570 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,1,0,0|2,0,0]=3 1571 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,1,0,0|2,0,0]=3 1572 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,1,0,0|2,0,0]=3 1573 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,1,0,0|2,0,0]=3 1574 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,1,0,0|2,0,0]=3 1575 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,1,0,0|2,0,0]=3 1576 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,0,0,1,0,0|3,0,0]=4 1577 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,0,0,1,0,0|3,0,0]=4 1578 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,0,0,1,0,0|3,0,0]=4 1579 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,0,0,1,0,0|3,0,0]=4 1580 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,1,0,0|2,0,0]=3 1581 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,1,0,0|2,0,0]=3 1582 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,1,0,0|2,0,0]=3 1583 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,1,0,0|2,0,0]=3 1584 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,0,0,1,0,0|3,0,0]=4 1585 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,0,0,1,0,0|3,0,0]=4 1586 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,0,0,1,0,0|3,0,0]=4 1587 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,0,0,1,0,0|3,0,0]=4 1588 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,1,0,0|2,0,0]=3 1589 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,1,0,0|2,0,0]=3 1590 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,0,0,1,0,0|3,0,0]=4 1591 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,0,0,1,0,0|3,0,0]=4 1592 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,1,0,0|2,0,0]=3 1593 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,1,0,0|2,0,0]=3 1594 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,1,0,0|2,0,0]=3 1595 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,1,0,0|2,0,0]=3 1596 B6R1.4 NC1CCC1F MCULE-1403984623 [0,0,0,1,0,0|3,0,0]=4 1597 B6R1.4 NC1CCC1F MCULE-8216841286 [0,0,0,1,0,0|3,0,0]=4 1598 B6R1.4 NC1CCC1N MCULE-6052332328 [0,0,0,1,0,0|3,0,0]=4 1599 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,1,0,0|2,0,0]=3 1600 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,1,0,0|2,0,0]=3 1601 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|1,1,1]=4 1602 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,1,0,0|2,0,0]=3 1603 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,1,0,0|2,0,0]=3 1604 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,1,0,0|2,0,0]=3 1605 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,1,0,0|2,0,0]=3 1606 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,0,0,1,0,0|3,0,0]=4 1607 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,1,0,0|2,0,0]=3 1608 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,1,0,0|2,0,0]=3 1609 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,1,0,0|2,0,0]=3 1610 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [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|1,1,1]=4 1612 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|1,1,1]=4 1613 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,0,0,1,0,0|3,0,0]=4 1614 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,1,0,0|2,0,0]=3 1615 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,1,0,0|2,0,0]=3 1616 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,1,0,0|2,0,0]=3 1617 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,1,0,0|2,0,0]=3 1618 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,0,0,1,0,0|3,0,0]=4 1619 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,0,0,1,0,0|3,0,0]=4 1620 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,1,0,0|2,0,0]=3 1621 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,1,0,0|2,0,0]=3 1622 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|1,1,1]=4 1623 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,0,0|1,0,2]=4 1624 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,1,0,0|1,0,0]=2 1625 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,1,0,0|1,0,0]=2 1626 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,1,0,0|1,0,0]=2 1627 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,1,0,0|1,0,0]=2 1628 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|1,1,1]=4 1629 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,0,0,1,0,0|3,0,0]=4 1630 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,0,0,1,0,0|2,0,0]=3 1631 B6R1.6 BrCC1CNC1 MCULE-5889797727 [0,0,0,1,0,0|3,0,0]=4 1632 B6R1.6 BrCC1CNC1 MCULE-7668948015 [0,0,0,1,0,0|3,0,0]=4 1633 B6R1.6 BrCC1COC1 MCULE-3267235863 [0,0,0,1,0,0|2,0,0]=3 1634 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,0,0,1,0,0|2,0,0]=3 1635 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,0,0,1,0,0|2,0,0]=3 1636 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,0,0,1,0,0|2,0,0]=3 1637 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,0,0,1,0,0|2,0,1]=4 1638 B6R1.6 C#CC1COC1 MCULE-8724712442 [0,0,0,1,0,0|2,0,1]=4 1639 B6R1.6 C1(CCN1)CO MCULE-6309114010 [0,0,0,1,0,0|2,0,0]=3 1640 B6R1.6 CCC1CCN1 MCULE-2791335818 [0,0,0,1,0,0|3,0,0]=4 1641 B6R1.6 CCC1CCN1 MCULE-3929810240 [0,0,0,1,0,0|3,0,0]=4 1642 B6R1.6 CCC1CNC1 MCULE-5314495230 [0,0,0,1,0,0|3,0,0]=4 1643 B6R1.6 CCC1CNC1 MCULE-6675770601 [0,0,0,1,0,0|3,0,0]=4 1644 B6R1.6 CNC1COC1 MCULE-2040978636 [0,0,0,1,0,0|3,0,0]=4 1645 B6R1.6 CNC1COC1 MCULE-3130259264 [0,0,0,1,0,0|3,0,0]=4 1646 B6R1.6 CNC1COC1 MCULE-4618612030 [0,0,0,1,0,0|3,0,0]=4 1647 B6R1.6 CNC1CSC1 MCULE-6729829548 [0,0,0,1,0,0|3,0,0]=4 1648 B6R1.6 CNC1CSC1 MCULE-7173779891 [0,0,0,1,0,0|3,0,0]=4 1649 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,0,0,1,0,0|3,0,0]=4 1650 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,0,0,1,0,0|2,0,0]=3 1651 B6R1.6 ClCC1CNC1 MCULE-2451543932 [0,0,0,1,0,0|3,0,0]=4 1652 B6R1.6 ClCC1CNC1 MCULE-9626195989 [0,0,0,1,0,0|3,0,0]=4 1653 B6R1.6 ClCC1COC1 MCULE-1144637548 [0,0,0,1,0,0|2,0,0]=3 1654 B6R1.6 FCC1CCN1 MCULE-1368993155 [0,0,0,1,0,0|3,0,0]=4 1655 B6R1.6 FCC1CCN1 MCULE-8515014805 [0,0,0,1,0,0|3,0,0]=4 1656 B6R1.6 FCC1CCN1 MCULE-9723993015 [0,0,0,1,0,0|3,0,0]=4 1657 B6R1.6 FCC1CNC1 MCULE-4813599184 [0,0,0,1,0,0|3,0,0]=4 1658 B6R1.6 FCC1CNC1 MCULE-5694626686 [0,0,0,1,0,0|3,0,0]=4 1659 B6R1.6 FC[C@@H]1CCN1 MCULE-3863169127 [0,0,0,1,0,0|3,0,0]=4 1660 B6R1.6 FC[C@@H]1CCN1 MCULE-6069828502 [0,0,0,1,0,0|3,0,0]=4 1661 B6R1.6 FC[C@@H]1CCN1 MCULE-7267455157 [0,0,0,1,0,0|3,0,0]=4 1662 B6R1.6 FC[C@@H]1CCN1 MCULE-8157561423 [0,0,0,1,0,0|3,0,0]=4 1663 B6R1.6 FC[C@H]1CCN1 MCULE-3092369600 [0,0,0,1,0,0|3,0,0]=4 1664 B6R1.6 FC[C@H]1CCN1 MCULE-6708783004 [0,0,0,1,0,0|3,0,0]=4 1665 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,0,0,1,0,0|3,0,0]=4 1666 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,0,0,1,0,0|2,0,0]=3 1667 B6R1.6 ICC1COC1 MCULE-6325029437 [0,0,0,1,0,0|2,0,0]=3 1668 B6R1.6 N#CC1COC1 MCULE-8173442458 [0,0,0,1,0,0|2,0,1]=4 1669 B6R1.6 N#CC1CSC1 MCULE-8903032109 [0,0,0,1,0,0|2,0,1]=4 1670 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,0,0,1,0,0|3,0,0]=4 1671 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,0,0,1,0,0|3,0,0]=4 1672 B6R1.6 NCC1CCN1 MCULE-4988917629 [0,0,0,1,0,0|3,0,0]=4 1673 B6R1.6 NCC1CCN1 MCULE-5495577627 [0,0,0,1,0,0|3,0,0]=4 1674 B6R1.6 NCC1CCN1 MCULE-7749596260 [0,0,0,1,0,0|3,0,0]=4 1675 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,0,0,1,0,0|2,0,0]=3 1676 B6R1.6 NCC1CCS1 MCULE-4026106833 [0,0,0,1,0,0|2,1,0]=4 1677 B6R1.6 NCC1CCS1 MCULE-5342015412 [0,0,0,1,0,0|2,1,0]=4 1678 B6R1.6 NCC1CNC1 MCULE-7601725567 [0,0,0,1,0,0|3,0,0]=4 1679 B6R1.6 NCC1CNC1 MCULE-7948891652 [0,0,0,1,0,0|3,0,0]=4 1680 B6R1.6 NCC1COC1 MCULE-4685637013 [0,0,0,1,0,0|2,0,0]=3 1681 B6R1.6 NCC1COC1 MCULE-6896653344 [0,0,0,1,0,0|2,0,0]=3 1682 B6R1.6 NCC1CSC1 MCULE-2317140221 [0,0,0,1,0,0|2,0,0]=3 1683 B6R1.6 NCC1CSC1 MCULE-2885312159 [0,0,0,1,0,0|2,0,0]=3 1684 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,0,0,1,0,0|2,0,0]=3 1685 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,0,0,1,0,0|2,0,0]=3 1686 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [0,0,0,1,0,0|3,0,0]=4 1687 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [0,0,0,1,0,0|3,0,0]=4 1688 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,0,0,1,0,0|2,0,0]=3 1689 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,0,0,1,0,0|2,0,0]=3 1690 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,0,0,1,0,0|2,0,0]=3 1691 B6R1.6 NNC1COC1 MCULE-2986078946 [0,0,0,1,0,0|3,0,0]=4 1692 B6R1.6 NNC1COC1 MCULE-4662390820 [0,0,0,1,0,0|3,0,0]=4 1693 B6R1.6 NNC1COC1 MCULE-7804737341 [0,0,0,1,0,0|3,0,0]=4 1694 B6R1.6 NNC1CSC1 MCULE-2341298971 [0,0,0,1,0,0|3,0,0]=4 1695 B6R1.6 NNC1CSC1 MCULE-6513117263 [0,0,0,1,0,0|3,0,0]=4 1696 B6R1.6 NNC1CSC1 MCULE-9957779440 [0,0,0,1,0,0|3,0,0]=4 1697 B6R1.6 NOC1COC1 MCULE-1949996102 [0,0,0,1,0,0|3,0,0]=4 1698 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,0,0,1,0,0|1,1,1]=4 1699 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,0,0,1,0,0|1,0,2]=4 1700 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,0,0,1,0,0|2,0,0]=3 1701 B6R1.6 OCC1CCN1 MCULE-1812443062 [0,0,0,1,0,0|2,0,0]=3 1702 B6R1.6 OCC1CCN1 MCULE-8390631765 [0,0,0,1,0,0|2,0,0]=3 1703 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,0,0,1,0,0|1,0,0]=2 1704 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,0,0,1,0,0|1,0,0]=2 1705 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,0,0,1,0,0|2,0,0]=3 1706 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,0,0,1,0,0|2,0,0]=3 1707 B6R1.6 OCC1COC1 MCULE-5031415478 [0,0,0,1,0,0|1,1,0]=3 1708 B6R1.6 OCC1CSC1 MCULE-9388221183 [0,0,0,1,0,0|1,0,0]=2 1709 B6R1.6 OC[C@@H]1CCN1 MCULE-5565957906 [0,0,0,1,0,0|2,0,0]=3 1710 B6R1.6 OC[C@@H]1CCN1 MCULE-7064010066 [0,0,0,1,0,0|2,0,0]=3 1711 B6R1.6 OC[C@@H]1CCN1 MCULE-7539121327 [0,0,0,1,0,0|2,0,0]=3 1712 B6R1.6 OC[C@@H]1CCN1 MCULE-9740096939 [0,0,0,1,0,0|2,0,0]=3 1713 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,0,0,1,0,0|1,0,0]=2 1714 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,0,0,1,0,0|1,0,0]=2 1715 B6R1.6 OC[C@H]1CCN1 MCULE-5733363493 [0,0,0,1,0,0|2,0,0]=3 1716 B6R1.6 OC[C@H]1CCN1 MCULE-8466413816 [0,0,0,1,0,0|2,0,0]=3 1717 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,0,0,1,0,0|1,0,0]=2 1718 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,0,0,1,0,0|1,0,0]=2 1719 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,0,0,1,0,0|2,0,0]=3 1720 B6R1.6 SCC1COC1 MCULE-7193197469 [0,0,0,1,0,0|1,0,0]=2 1721 B6R1.7 BrCC1(CC1)Br MCULE-3664717874 [0,0,0,1,0,0|3,0,0]=4 1722 B6R1.7 C#CC1(CC1)O MCULE-2391074408 [0,0,0,1,0,0|2,0,1]=4 1723 B6R1.7 C=CC1(CC1)O MCULE-4527683750 [0,0,0,1,0,0|2,0,1]=4 1724 B6R1.7 C=CC1(CO1)C MCULE-2507036726 [0,0,0,1,0,0|2,0,1]=4 1725 B6R1.7 CC1(CC1)CBr MCULE-7638105894 [0,0,0,1,0,0|3,0,0]=4 1726 B6R1.7 CC1(CC1)CCl MCULE-5653369516 [0,0,0,1,0,0|3,0,0]=4 1727 B6R1.7 CC1(CC1)CN MCULE-2933267296 [0,0,0,1,0,0|3,0,0]=4 1728 B6R1.7 CC1(CC1)CN MCULE-6561269012 [0,0,0,1,0,0|3,0,0]=4 1729 B6R1.7 CC1(CC1)CO MCULE-9292264802 [0,0,0,1,0,0|2,0,0]=3 1730 B6R1.7 CC1(CO1)CBr MCULE-5372688659 [0,0,0,1,0,0|2,0,0]=3 1731 B6R1.7 CC1(CO1)CCl MCULE-8847094307 [0,0,0,1,0,0|2,0,0]=3 1732 B6R1.7 CC1(CO1)CO MCULE-1000912721 [0,0,0,1,0,0|1,1,0]=3 1733 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,0,0,1,0,0|3,0,0]=4 1734 B6R1.7 CCC1(CC1)N MCULE-3440893089 [0,0,0,1,0,0|3,0,0]=4 1735 B6R1.7 CCC1(CC1)N MCULE-8936334501 [0,0,0,1,0,0|3,0,0]=4 1736 B6R1.7 CCC1(CC1)O MCULE-7491011687 [0,0,0,1,0,0|2,0,0]=3 1737 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,0,0,1,0,0|2,0,0]=3 1738 B6R1.7 C[C@@]1(CO1)CO MCULE-2087028484 [0,0,0,1,0,0|1,1,0]=3 1739 B6R1.7 C[C@@]1(CO1)CO MCULE-6244999634 [0,0,0,1,0,0|1,1,0]=3 1740 B6R1.7 C[C@]1(CO1)CO MCULE-1098652766 [0,0,0,1,0,0|1,1,0]=3 1741 B6R1.7 C[C@]1(CO1)CO MCULE-9811443530 [0,0,0,1,0,0|1,1,0]=3 1742 B6R1.7 ClC1(CC1)CBr MCULE-5738182750 [0,0,0,1,0,0|3,0,0]=4 1743 B6R1.7 ClCC1(CC1)Br MCULE-5375999277 [0,0,0,1,0,0|3,0,0]=4 1744 B6R1.7 FC1(CC1)CBr MCULE-9308548759 [0,0,0,1,0,0|3,0,0]=4 1745 B6R1.7 N#CC1(CC1)O MCULE-1394111227 [0,0,0,1,0,0|2,0,1]=4 1746 B6R1.7 NC1(CC1)CF MCULE-3560419554 [0,0,0,1,0,0|3,0,0]=4 1747 B6R1.7 NC1(CC1)CF MCULE-5037711402 [0,0,0,1,0,0|3,0,0]=4 1748 B6R1.7 NC1(CC1)CO MCULE-5890036745 [0,0,0,1,0,0|2,0,0]=3 1749 B6R1.7 NC1(CC1)CO MCULE-6476116416 [0,0,0,1,0,0|2,0,0]=3 1750 B6R1.7 NCC1(CC1)Br MCULE-7318489845 [0,0,0,1,0,0|3,0,0]=4 1751 B6R1.7 NCC1(CC1)F MCULE-6736176817 [0,0,0,1,0,0|3,0,0]=4 1752 B6R1.7 NCC1(CC1)F MCULE-7735967320 [0,0,0,1,0,0|3,0,0]=4 1753 B6R1.7 NCC1(CC1)N MCULE-4980820376 [0,0,0,1,0,0|3,0,0]=4 1754 B6R1.7 NCC1(CC1)N MCULE-7033999881 [0,0,0,1,0,0|3,0,0]=4 1755 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,0,0,1,0,0|2,0,0]=3 1756 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,0,0,1,0,0|2,0,0]=3 1757 B6R1.7 OCC1(CC1)Br MCULE-2797548638 [0,0,0,1,0,0|2,0,0]=3 1758 B6R1.7 OCC1(CC1)Cl MCULE-4350532922 [0,0,0,1,0,0|2,0,0]=3 1759 B6R1.7 OCC1(CC1)F MCULE-9539268105 [0,0,0,1,0,0|2,0,0]=3 1760 B6R1.7 OCC1(CC1)O MCULE-7768871656 [0,0,0,1,0,0|1,0,0]=2 1761 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,0,0,1,0,0|2,0,1]=4 1762 B6R1.8 CC1CC1CN MCULE-2810102174 [0,0,0,1,0,0|3,0,0]=4 1763 B6R1.8 CC1CC1CN MCULE-7518062300 [0,0,0,1,0,0|3,0,0]=4 1764 B6R1.8 CC1CC1CO MCULE-5196594569 [0,0,0,1,0,0|2,0,0]=3 1765 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,0,0,1,0,0|2,0,0]=3 1766 B6R1.8 CC1OC1CO MCULE-1680425960 [0,0,0,1,0,0|1,0,0]=2 1767 B6R1.8 CCC1CC1N MCULE-6304873051 [0,0,0,1,0,0|3,0,0]=4 1768 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,0,0,1,0,0|3,0,0]=4 1769 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,0,0,1,0,0|3,0,0]=4 1770 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,0,0,1,0,0|3,0,0]=4 1771 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,0,0,1,0,0|3,0,0]=4 1772 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,0,0,1,0,0|3,0,0]=4 1773 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,0,0,1,0,0|3,0,0]=4 1774 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,0,0,1,0,0|2,0,0]=3 1775 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,0,0,1,0,0|3,0,0]=4 1776 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,0,0,1,0,0|3,0,0]=4 1777 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,0,0,1,0,0|3,0,0]=4 1778 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,0,0,1,0,0|3,0,0]=4 1779 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,0,0,1,0,0|2,0,0]=3 1780 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,0,0,1,0,0|3,0,0]=4 1781 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,0,0,1,0,0|2,0,0]=3 1782 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,0,0,1,0,0|2,0,0]=3 1783 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,0,0,1,0,0|3,0,0]=4 1784 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,0,0,1,0,0|2,0,0]=3 1785 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,0,0,1,0,0|2,0,0]=3 1786 B6R1.8 NC1CC1CO MCULE-7666097515 [0,0,0,1,0,0|2,0,0]=3 1787 B6R1.8 NCC1CC1N MCULE-4864283129 [0,0,0,1,0,0|3,0,0]=4 1788 B6R1.8 NCC1CC1N MCULE-7029010792 [0,0,0,1,0,0|3,0,0]=4 1789 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,0,0,1,0,0|2,0,0]=3 1790 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,0,0,1,0,0|2,0,0]=3 1791 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,0,0,1,0,0|2,0,0]=3 1792 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,0,0,1,0,0|2,0,0]=3 1793 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,0,0,1,0,0|2,0,0]=3 1794 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,0,0,1,0,0|2,0,0]=3 1795 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,0,0,1,0,0|2,0,0]=3 1796 B3R0.1 BrCCBr MCULE-7586462642 [2,0,0,0,0,0|2,0,0]=4 1797 B3R0.1 BrCCI MCULE-8691237057 [2,0,0,0,0,0|2,0,0]=4 1798 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|1,0,1]=4 1799 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|0,0,2]=4 1800 B3R0.1 C/B=N/O MCULE-5227399299 [2,0,0,0,0,0|2,0,0]=4 1801 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,1]=4 1802 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,1]=4 1803 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,2]=4 1804 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,0,2]=4 1805 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,1]=4 1806 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 1807 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,2]=4 1808 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,0]=3 1809 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|1,0,0]=3 1810 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,0]=3 1811 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,0]=3 1812 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,0]=3 1813 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,0]=3 1814 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,0]=3 1815 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,0]=3 1816 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,0]=3 1817 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,0]=2 1818 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,0,0]=2 1819 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|2,0,0]=4 1820 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|2,0,0]=4 1821 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|2,0,0]=4 1822 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|2,0,0]=4 1823 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|2,0,0]=4 1824 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,0]=3 1825 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,0]=3 1826 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|2,0,0]=4 1827 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|2,0,0]=4 1828 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 1829 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 1830 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|2,0,0]=4 1831 B3R0.1 COCBr MCULE-2566721472 [2,0,0,0,0,0|2,0,0]=4 1832 B3R0.1 COCCl MCULE-5928768006 [2,0,0,0,0,0|2,0,0]=4 1833 B3R0.1 COCI MCULE-5215132549 [2,0,0,0,0,0|2,0,0]=4 1834 B3R0.1 CSCCl MCULE-1281800596 [2,0,0,0,0,0|2,0,0]=4 1835 B3R0.1 ClCCBr MCULE-3933774075 [2,0,0,0,0,0|2,0,0]=4 1836 B3R0.1 ClCCCl MCULE-3493741440 [2,0,0,0,0,0|2,0,0]=4 1837 B3R0.1 ClCCI MCULE-7847880962 [2,0,0,0,0,0|2,0,0]=4 1838 B3R0.1 FCCBr MCULE-3117974140 [2,0,0,0,0,0|2,0,0]=4 1839 B3R0.1 FCCCl MCULE-1862981403 [2,0,0,0,0,0|2,0,0]=4 1840 B3R0.1 FCCF MCULE-1975194621 [2,0,0,0,0,0|2,0,0]=4 1841 B3R0.1 FCCI MCULE-3689313503 [2,0,0,0,0,0|2,0,0]=4 1842 B3R0.1 ICCI MCULE-8025471988 [2,0,0,0,0,0|2,0,0]=4 1843 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|2,0,0]=4 1844 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|2,0,0]=4 1845 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|2,0,0]=4 1846 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|2,0,0]=4 1847 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|2,0,0]=4 1848 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|2,0,0]=4 1849 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|2,0,0]=4 1850 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|2,0,0]=4 1851 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|2,0,0]=4 1852 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|2,0,0]=4 1853 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|2,0,0]=4 1854 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|2,0,0]=4 1855 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,0]=3 1856 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,0]=3 1857 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|1,0,0]=3 1858 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|1,0,0]=3 1859 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,0]=3 1860 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,0]=3 1861 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,0]=3 1862 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,0]=3 1863 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|0,0,0]=2 1864 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|0,0,0]=2 1865 B3R0.1 PCCP MCULE-2159678577 [2,0,0,0,0,0|2,0,0]=4 1866 B3R0.1 SCCBr MCULE-5899941299 [2,0,0,0,0,0|1,0,0]=3 1867 B3R0.1 SCCS MCULE-8277435664 [2,0,0,0,0,0|0,1,0]=3 1868 B3R0.1 [NH3+]CCS MCULE-6407472407 [2,0,0,0,0,0|1,0,0]=3 1869 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [2,0,0,0,0,0|2,0,0]=4 1870 B3R0.2 BN(C)C MCULE-2470964161 [2,0,0,0,0,0|2,0,0]=4 1871 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,1]=4 1872 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|2,0,0]=4 1873 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|2,0,0]=4 1874 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|2,0,0]=4 1875 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,0]=3 1876 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|0,0,2]=4 1877 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,2]=4 1878 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,2]=4 1879 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,2]=4 1880 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,2]=4 1881 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,2]=4 1882 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,2]=4 1883 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,2]=4 1884 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,0,2]=4 1885 B3R0.2 CC(Br)Br MCULE-3156450089 [2,0,0,0,0,0|2,0,0]=4 1886 B3R0.2 CC(C)Br MCULE-4068304617 [2,0,0,0,0,0|1,0,0]=3 1887 B3R0.2 CC(C)C MCULE-6616676274 [2,0,0,0,0,0|1,0,0]=3 1888 B3R0.2 CC(C)Cl MCULE-3190141598 [2,0,0,0,0,0|1,0,0]=3 1889 B3R0.2 CC(C)F MCULE-5333357055 [2,0,0,0,0,0|1,0,0]=3 1890 B3R0.2 CC(C)I MCULE-6151711033 [2,0,0,0,0,0|1,0,0]=3 1891 B3R0.2 CC(C)N MCULE-1048799006 [2,0,0,0,0,0|1,0,0]=3 1892 B3R0.2 CC(C)N MCULE-1125416142 [2,0,0,0,0,0|1,0,0]=3 1893 B3R0.2 CC(C)N MCULE-2418429353 [2,0,0,0,0,0|1,0,0]=3 1894 B3R0.2 CC(C)N MCULE-7280647435 [2,0,0,0,0,0|1,0,0]=3 1895 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|0,0,0]=2 1896 B3R0.2 CC(C)S MCULE-8283942088 [2,0,0,0,0,0|0,1,0]=3 1897 B3R0.2 CC(Cl)Br MCULE-6166388747 [2,0,0,0,0,0|2,0,0]=4 1898 B3R0.2 CC(Cl)Cl MCULE-2444543893 [2,0,0,0,0,0|2,0,0]=4 1899 B3R0.2 CC(F)Cl MCULE-1350283946 [2,0,0,0,0,0|2,0,0]=4 1900 B3R0.2 CC(F)F MCULE-1642052461 [2,0,0,0,0,0|2,0,0]=4 1901 B3R0.2 CN(C)C MCULE-5179437979 [2,0,0,0,0,0|2,0,0]=4 1902 B3R0.2 CN(C)C MCULE-6816696733 [2,0,0,0,0,0|2,0,0]=4 1903 B3R0.2 CN(C)C MCULE-7903544426 [2,0,0,0,0,0|2,0,0]=4 1904 B3R0.2 CN(C)N MCULE-7177216911 [2,0,0,0,0,0|2,0,0]=4 1905 B3R0.2 CN(C)N MCULE-8775366011 [2,0,0,0,0,0|2,0,0]=4 1906 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|1,0,0]=3 1907 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|1,0,0]=3 1908 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|1,0,1]=4 1909 B3R0.2 CP(C)C MCULE-6703190251 [2,0,0,0,0,0|2,0,0]=4 1910 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|1,0,1]=4 1911 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,1]=4 1912 B3R0.2 C[Ga](C)C MCULE-6013775603 [2,0,0,0,0,0|2,0,0]=4 1913 B3R0.2 C[In](C)C MCULE-1424187192 [2,0,0,0,0,0|2,0,0]=4 1914 B3R0.2 C[O+](C)C MCULE-2925451414 [2,0,0,0,0,0|2,0,0]=4 1915 B3R0.2 C[S+](C)Br MCULE-2734391695 [2,0,0,0,0,0|2,0,0]=4 1916 B3R0.2 C[S+](C)Br MCULE-6411921824 [2,0,0,0,0,0|2,0,0]=4 1917 B3R0.2 C[S+](C)C MCULE-5867625832 [2,0,0,0,0,0|2,0,0]=4 1918 B3R0.2 C[S+](C)C MCULE-7678314643 [2,0,0,0,0,0|2,0,0]=4 1919 B3R0.2 C[S+](C)C MCULE-8005905986 [2,0,0,0,0,0|2,0,0]=4 1920 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|1,0,1]=4 1921 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,1]=4 1922 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|0,1,1]=4 1923 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|0,1,1]=4 1924 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|1,1,0]=4 1925 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|1,1,0]=4 1926 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|1,1,0]=4 1927 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|1,1,0]=4 1928 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|0,2,0]=4 1929 B3R0.2 OB(O)O MCULE-2905906674 [2,0,0,0,0,0|1,1,0]=4 1930 B3R0.2 OB(O)O MCULE-8095091838 [2,0,0,0,0,0|1,1,0]=4 1931 B3R0.2 OP(O)O MCULE-9313199709 [2,0,0,0,0,0|1,1,0]=4 1932 B5R0.1 C#CCC(C)C MCULE-2506063278 [1,1,0,0,0,0|2,0,0]=4 1933 B5R0.1 C#CCC(C)N MCULE-1523044787 [1,1,0,0,0,0|2,0,0]=4 1934 B5R0.1 C#CCC(C)N MCULE-3399522488 [1,1,0,0,0,0|2,0,0]=4 1935 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,1,0,0,0,0|1,0,0]=3 1936 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,1,0,0,0,0|2,0,0]=4 1937 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,1,0,0,0,0|2,0,0]=4 1938 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,1,0,0,0,0|1,0,0]=3 1939 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,1,0,0,0,0|1,0,1]=4 1940 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,1,0,0,0,0|1,0,1]=4 1941 B5R0.1 C=C(C)CON MCULE-2773974323 [1,1,0,0,0,0|1,0,1]=4 1942 B5R0.1 C=C(C)CON MCULE-5978680243 [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,1,0,0,0,0|2,0,0]=4 1944 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,1,0,0,0,0|2,0,0]=4 1945 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,1,0,0,0,0|2,0,0]=4 1946 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,1,0,0,0,0|2,0,0]=4 1947 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,1,0,0,0,0|2,0,0]=4 1948 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,1,0,0,0,0|1,0,0]=3 1949 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,1,0,0,0,0|1,0,0]=3 1950 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,1,0,0,0,0|1,0,0]=3 1951 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,1,0,0,0,0|1,0,0]=3 1952 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,1,0,0,0,0|2,0,0]=4 1953 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,1,0,0,0,0|2,0,0]=4 1954 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,1,0,0,0,0|1,0,0]=3 1955 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,1,0,0,0,0|1,0,0]=3 1956 B5R0.1 CC#CC(C)O MCULE-5523814936 [1,1,0,0,0,0|1,0,1]=4 1957 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,1,0,0,0,0|1,0,1]=4 1958 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,1,0,0,0,0|1,0,1]=4 1959 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,1,0,0,0,0|1,0,1]=4 1960 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,1,0,0,0,0|1,0,1]=4 1961 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,1,0,0,0,0|0,0,2]=4 1962 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,1,0,0,0,0|0,0,2]=4 1963 B5R0.1 CC(Br)CC#N MCULE-6321379216 [1,1,0,0,0,0|2,0,0]=4 1964 B5R0.1 CC(Br)CCBr MCULE-1045475402 [1,1,0,0,0,0|2,0,0]=4 1965 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,1,0,0,0,0|1,0,1]=4 1966 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,1,0,0,0,0|1,0,1]=4 1967 B5R0.1 CC(C)CC#N MCULE-4346986727 [1,1,0,0,0,0|2,0,0]=4 1968 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,1,0,0,0,0|1,0,1]=4 1969 B5R0.1 CC(C)CCBr MCULE-7163010428 [1,1,0,0,0,0|2,0,0]=4 1970 B5R0.1 CC(C)CCCl MCULE-8360122696 [1,1,0,0,0,0|2,0,0]=4 1971 B5R0.1 CC(C)CCCl MCULE-9017922949 [1,1,0,0,0,0|2,0,0]=4 1972 B5R0.1 CC(C)CCI MCULE-4934529500 [1,1,0,0,0,0|2,0,0]=4 1973 B5R0.1 CC(C)CCN MCULE-3081003576 [1,1,0,0,0,0|2,0,0]=4 1974 B5R0.1 CC(C)CCN MCULE-5118782389 [1,1,0,0,0,0|2,0,0]=4 1975 B5R0.1 CC(C)CCN MCULE-5217981670 [1,1,0,0,0,0|2,0,0]=4 1976 B5R0.1 CC(C)CCN MCULE-6280940933 [1,1,0,0,0,0|2,0,0]=4 1977 B5R0.1 CC(C)CCO MCULE-7411270401 [1,1,0,0,0,0|1,0,0]=3 1978 B5R0.1 CC(C)CCS MCULE-7115473363 [1,1,0,0,0,0|1,0,0]=3 1979 B5R0.1 CC(C)CNN MCULE-6797887001 [1,1,0,0,0,0|2,0,0]=4 1980 B5R0.1 CC(C)CNN MCULE-9592971233 [1,1,0,0,0,0|2,0,0]=4 1981 B5R0.1 CC(C)CNN MCULE-9725792452 [1,1,0,0,0,0|2,0,0]=4 1982 B5R0.1 CC(C)CON MCULE-3476786246 [1,1,0,0,0,0|1,0,0]=3 1983 B5R0.1 CC(C)CON MCULE-4450654727 [1,1,0,0,0,0|1,0,0]=3 1984 B5R0.1 CC(C)OCCl MCULE-3680602217 [1,1,0,0,0,0|2,0,0]=4 1985 B5R0.1 CC(C)SCCl MCULE-3836735379 [1,1,0,0,0,0|2,0,0]=4 1986 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [1,1,0,0,0,0|2,0,0]=4 1987 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,1,0,0,0,0|1,0,0]=3 1988 B5R0.1 CC(F)CCBr MCULE-3035340901 [1,1,0,0,0,0|2,0,0]=4 1989 B5R0.1 CC(F)CCI MCULE-6469250150 [1,1,0,0,0,0|2,0,0]=4 1990 B5R0.1 CC(F)CCN MCULE-2805813131 [1,1,0,0,0,0|2,0,0]=4 1991 B5R0.1 CC(F)CCN MCULE-5849913362 [1,1,0,0,0,0|2,0,0]=4 1992 B5R0.1 CC(N)CC#N MCULE-2350352782 [1,1,0,0,0,0|2,0,0]=4 1993 B5R0.1 CC(N)CC#N MCULE-7269201059 [1,1,0,0,0,0|2,0,0]=4 1994 B5R0.1 CC(N)CCN MCULE-5308134596 [1,1,0,0,0,0|2,0,0]=4 1995 B5R0.1 CC(N)CCN MCULE-5880045507 [1,1,0,0,0,0|2,0,0]=4 1996 B5R0.1 CC(N)CCN MCULE-7827515430 [1,1,0,0,0,0|2,0,0]=4 1997 B5R0.1 CC(N)CCO MCULE-1771399942 [1,1,0,0,0,0|1,0,0]=3 1998 B5R0.1 CC(N)CCO MCULE-7239872808 [1,1,0,0,0,0|1,0,0]=3 1999 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,1,0,0,0,0|1,0,0]=3 2000 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,1,0,0,0,0|1,0,0]=3 2001 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,1,0,0,0,0|1,0,0]=3 2002 B5R0.1 CC(O)CCN MCULE-6836791276 [1,1,0,0,0,0|1,0,0]=3 2003 B5R0.1 CC(O)CCN MCULE-7186260925 [1,1,0,0,0,0|1,0,0]=3 2004 B5R0.1 CC(O)CCO MCULE-1694239851 [1,1,0,0,0,0|0,0,0]=2 2005 B5R0.1 CC(O)CCO MCULE-7784884948 [1,1,0,0,0,0|0,0,0]=2 2006 B5R0.1 CC(O)CNN MCULE-4956670781 [1,1,0,0,0,0|1,0,0]=3 2007 B5R0.1 CC(O)CNN MCULE-7917439573 [1,1,0,0,0,0|1,0,0]=3 2008 B5R0.1 CC(O)CON MCULE-1051091134 [1,1,0,0,0,0|0,0,0]=2 2009 B5R0.1 CC(O)CON MCULE-6722092589 [1,1,0,0,0,0|0,0,0]=2 2010 B5R0.1 CC(S)CCO MCULE-5702212503 [1,1,0,0,0,0|0,1,0]=3 2011 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,1,0,0,0,0|1,0,1]=4 2012 B5R0.1 CCCB(O)O MCULE-4994980798 [1,1,0,0,0,0|2,0,0]=4 2013 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,1,0,0,0,0|2,0,0]=4 2014 B5R0.1 CCCC(C)C MCULE-9604552974 [1,1,0,0,0,0|2,0,0]=4 2015 B5R0.1 CCCC(C)N MCULE-2640298430 [1,1,0,0,0,0|2,0,0]=4 2016 B5R0.1 CCCC(C)N MCULE-7225905167 [1,1,0,0,0,0|2,0,0]=4 2017 B5R0.1 CCCC(C)O MCULE-8205906299 [1,1,0,0,0,0|1,0,0]=3 2018 B5R0.1 CCCC(C)S MCULE-1649095713 [1,1,0,0,0,0|1,1,0]=4 2019 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,1,0,0,0,0|2,0,0]=4 2020 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,1,0,0,0,0|2,0,0]=4 2021 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,1,0,0,0,0|2,0,0]=4 2022 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,1,0,0,0,0|2,0,0]=4 2023 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,1,0,0,0,0|2,0,0]=4 2024 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,1,0,0,0,0|1,0,0]=3 2025 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,1,0,0,0,0|2,0,0]=4 2026 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,1,0,0,0,0|2,0,0]=4 2027 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,1,0,0,0,0|2,0,0]=4 2028 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,1,0,0,0,0|2,0,0]=4 2029 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,1,0,0,0,0|1,0,0]=3 2030 B5R0.1 CCNC(C)C MCULE-8064118469 [1,1,0,0,0,0|2,0,0]=4 2031 B5R0.1 CCOC(C)C MCULE-1934548340 [1,1,0,0,0,0|2,0,0]=4 2032 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,1,0,0,0,0|2,0,0]=4 2033 B5R0.1 CCSC(C)C MCULE-3738251898 [1,1,0,0,0,0|2,0,0]=4 2034 B5R0.1 CN(C)CCO MCULE-5715813465 [1,1,0,0,0,0|2,0,0]=4 2035 B5R0.1 CN(C)CCO MCULE-7567469160 [1,1,0,0,0,0|2,0,0]=4 2036 B5R0.1 CN(C)CCO MCULE-9024108074 [1,1,0,0,0,0|2,0,0]=4 2037 B5R0.1 CN(C)CCS MCULE-4356815596 [1,1,0,0,0,0|2,0,0]=4 2038 B5R0.1 CN(C)CCS MCULE-4611688723 [1,1,0,0,0,0|2,0,0]=4 2039 B5R0.1 CN(C)CCS MCULE-6259585517 [1,1,0,0,0,0|2,0,0]=4 2040 B5R0.1 CNCC(C)C MCULE-6582386339 [1,1,0,0,0,0|2,0,0]=4 2041 B5R0.1 CNCC(C)C MCULE-6856717783 [1,1,0,0,0,0|2,0,0]=4 2042 B5R0.1 CNCC(C)F MCULE-4381138647 [1,1,0,0,0,0|2,0,0]=4 2043 B5R0.1 CNCC(C)F MCULE-9018181183 [1,1,0,0,0,0|2,0,0]=4 2044 B5R0.1 CNCC(C)O MCULE-3671071529 [1,1,0,0,0,0|1,0,0]=3 2045 B5R0.1 CNCC(C)O MCULE-4171705304 [1,1,0,0,0,0|1,0,0]=3 2046 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,1,0,0,0,0|1,0,0]=3 2047 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,1,0,0,0,0|1,0,0]=3 2048 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,1,0,0,0,0|1,0,0]=3 2049 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,1,0,0,0,0|1,0,0]=3 2050 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,1,0,0,0,0|1,0,0]=3 2051 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,1,0,0,0,0|1,0,0]=3 2052 B5R0.1 COCC(=O)C MCULE-7262197587 [1,1,0,0,0,0|0,0,2]=4 2053 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|0,1,1]=4 2054 B5R0.1 COCC(C)Br MCULE-6850689931 [1,1,0,0,0,0|1,0,0]=3 2055 B5R0.1 COCC(C)I MCULE-8608265714 [1,1,0,0,0,0|1,0,0]=3 2056 B5R0.1 COCC(C)N MCULE-1896873634 [1,1,0,0,0,0|1,0,0]=3 2057 B5R0.1 COCC(C)N MCULE-2549420211 [1,1,0,0,0,0|1,0,0]=3 2058 B5R0.1 COCC(C)N MCULE-3490410444 [1,1,0,0,0,0|1,0,0]=3 2059 B5R0.1 COCC(C)N MCULE-7089888882 [1,1,0,0,0,0|1,0,0]=3 2060 B5R0.1 COCC(C)O MCULE-4022733014 [1,1,0,0,0,0|0,0,0]=2 2061 B5R0.1 COCC(C)O MCULE-7513310960 [1,1,0,0,0,0|0,0,0]=2 2062 B5R0.1 COCN(C)C MCULE-1963225930 [1,1,0,0,0,0|2,0,0]=4 2063 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,1,0,0,0,0|1,0,0]=3 2064 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,1,0,0,0,0|1,0,0]=3 2065 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,1,0,0,0,0|1,0,0]=3 2066 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,1,0,0,0,0|1,0,0]=3 2067 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,1,0,0,0,0|0,0,0]=2 2068 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,1,0,0,0,0|0,0,0]=2 2069 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,1,0,0,0,0|1,0,0]=3 2070 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,1,0,0,0,0|1,0,0]=3 2071 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,1,0,0,0,0|1,0,0]=3 2072 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,1,0,0,0,0|1,0,0]=3 2073 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,1,0,0,0,0|0,0,0]=2 2074 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,1,0,0,0,0|0,0,0]=2 2075 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,1,0,0,0,0|1,0,1]=4 2076 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,1,0,0,0,0|0,0,2]=4 2077 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|0,0,2]=4 2078 B5R0.1 CSCC(C)N MCULE-7985946030 [1,1,0,0,0,0|1,0,0]=3 2079 B5R0.1 CSCC(C)O MCULE-2227652351 [1,1,0,0,0,0|0,0,0]=2 2080 B5R0.1 CSCN(C)C MCULE-2931143051 [1,1,0,0,0,0|2,0,0]=4 2081 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,1,0,0,0,0|1,0,1]=4 2082 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [1,1,0,0,0,0|2,0,0]=4 2083 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [1,1,0,0,0,0|2,0,0]=4 2084 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [1,1,0,0,0,0|2,0,0]=4 2085 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [1,1,0,0,0,0|2,0,0]=4 2086 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,1,0,0,0,0|1,0,0]=3 2087 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,1,0,0,0,0|1,0,0]=3 2088 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,1,0,0,0,0|1,0,0]=3 2089 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,1,0,0,0,0|1,0,0]=3 2090 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,1,0,0,0,0|1,0,0]=3 2091 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,1,0,0,0,0|1,0,0]=3 2092 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,1,0,0,0,0|1,0,0]=3 2093 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,1,0,0,0,0|0,0,0]=2 2094 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,1,0,0,0,0|0,0,0]=2 2095 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,1,0,0,0,0|0,0,0]=2 2096 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,1,0,0,0,0|0,0,0]=2 2097 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [1,1,0,0,0,0|2,0,0]=4 2098 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [1,1,0,0,0,0|2,0,0]=4 2099 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [1,1,0,0,0,0|2,0,0]=4 2100 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [1,1,0,0,0,0|2,0,0]=4 2101 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,1,0,0,0,0|1,0,0]=3 2102 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,1,0,0,0,0|1,0,0]=3 2103 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,1,0,0,0,0|1,0,0]=3 2104 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,1,0,0,0,0|1,0,0]=3 2105 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,1,0,0,0,0|1,0,0]=3 2106 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,1,0,0,0,0|1,0,0]=3 2107 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,1,0,0,0,0|1,0,0]=3 2108 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,1,0,0,0,0|0,0,0]=2 2109 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,1,0,0,0,0|0,0,0]=2 2110 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,1,0,0,0,0|0,0,0]=2 2111 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,1,0,0,0,0|0,0,0]=2 2112 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,1,0,0,0,0|1,0,1]=4 2113 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,1,0,0,0,0|0,1,1]=4 2114 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,1,0,0,0,0|0,1,1]=4 2115 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,1,0,0,0,0|0,1,1]=4 2116 B5R0.1 NOCC(F)F MCULE-1860693804 [1,1,0,0,0,0|2,0,0]=4 2117 B5R0.1 NOCC(F)F MCULE-2698080780 [1,1,0,0,0,0|2,0,0]=4 2118 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|0,1,1]=4 2119 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|0,0,2]=4 2120 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,1,0,0,0,0|0,1,1]=4 2121 B5R0.1 OCCC(F)F MCULE-9207688926 [1,1,0,0,0,0|2,0,0]=4 2122 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,1,0,0,0,0|1,0,0]=3 2123 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,1,0,0,0,0|1,0,0]=3 2124 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,1,0,0,0,0|1,0,0]=3 2125 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,1,0,0,0,0|1,0,0]=3 2126 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [1,1,0,0,0,0|1,0,1]=4 2127 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,1]=4 2128 B5R0.4 CC(C)(Br)CBr MCULE-2393829265 [1,1,0,0,0,0|2,0,0]=4 2129 B5R0.4 CC(C)(Br)CCl MCULE-4498591413 [1,1,0,0,0,0|2,0,0]=4 2130 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [1,1,0,0,0,0|2,0,0]=4 2131 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [1,1,0,0,0,0|2,0,0]=4 2132 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [1,1,0,0,0,0|2,0,0]=4 2133 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,1,0,0,0,0|1,0,0]=3 2134 B5R0.4 CC(C)(C)CBr MCULE-7545541733 [1,1,0,0,0,0|2,0,0]=4 2135 B5R0.4 CC(C)(C)CCl MCULE-1595599055 [1,1,0,0,0,0|2,0,0]=4 2136 B5R0.4 CC(C)(C)CI MCULE-6879787789 [1,1,0,0,0,0|2,0,0]=4 2137 B5R0.4 CC(C)(C)CN MCULE-1062894260 [1,1,0,0,0,0|2,0,0]=4 2138 B5R0.4 CC(C)(C)CN MCULE-2736289460 [1,1,0,0,0,0|2,0,0]=4 2139 B5R0.4 CC(C)(C)CN MCULE-5919012916 [1,1,0,0,0,0|2,0,0]=4 2140 B5R0.4 CC(C)(C)CN MCULE-6772338754 [1,1,0,0,0,0|2,0,0]=4 2141 B5R0.4 CC(C)(C)CN MCULE-8882959753 [1,1,0,0,0,0|2,0,0]=4 2142 B5R0.4 CC(C)(C)CO MCULE-4399535684 [1,1,0,0,0,0|1,0,0]=3 2143 B5R0.4 CC(C)(C)CS MCULE-7279455818 [1,1,0,0,0,0|1,0,0]=3 2144 B5R0.4 CC(C)(C)NO MCULE-4676405280 [1,1,0,0,0,0|2,0,0]=4 2145 B5R0.4 CC(C)(C)NO MCULE-6482556352 [1,1,0,0,0,0|2,0,0]=4 2146 B5R0.4 CC(C)(C)NO MCULE-7368313644 [1,1,0,0,0,0|2,0,0]=4 2147 B5R0.4 CC(C)(C)OO MCULE-2835127745 [1,1,0,0,0,0|2,0,0]=4 2148 B5R0.4 CC(C)(Cl)CCl MCULE-3251179033 [1,1,0,0,0,0|2,0,0]=4 2149 B5R0.4 CC(C)(F)CBr MCULE-3412419931 [1,1,0,0,0,0|2,0,0]=4 2150 B5R0.4 CC(C)(F)CI MCULE-8224019070 [1,1,0,0,0,0|2,0,0]=4 2151 B5R0.4 CC(C)(F)CN MCULE-3150098249 [1,1,0,0,0,0|2,0,0]=4 2152 B5R0.4 CC(C)(F)CN MCULE-8647719519 [1,1,0,0,0,0|2,0,0]=4 2153 B5R0.4 CC(C)(F)CO MCULE-1700621997 [1,1,0,0,0,0|1,0,0]=3 2154 B5R0.4 CC(C)(N)CCl MCULE-2098848089 [1,1,0,0,0,0|2,0,0]=4 2155 B5R0.4 CC(C)(N)CCl MCULE-2847180011 [1,1,0,0,0,0|2,0,0]=4 2156 B5R0.4 CC(C)(N)CF MCULE-3102233948 [1,1,0,0,0,0|2,0,0]=4 2157 B5R0.4 CC(C)(N)CF MCULE-9737357598 [1,1,0,0,0,0|2,0,0]=4 2158 B5R0.4 CC(C)(N)CN MCULE-4218187677 [1,1,0,0,0,0|2,0,0]=4 2159 B5R0.4 CC(C)(N)CN MCULE-6476068080 [1,1,0,0,0,0|2,0,0]=4 2160 B5R0.4 CC(C)(N)CO MCULE-4072416202 [1,1,0,0,0,0|1,0,0]=3 2161 B5R0.4 CC(C)(N)CO MCULE-4209651459 [1,1,0,0,0,0|1,0,0]=3 2162 B5R0.4 CC(C)(N)CO MCULE-6047079177 [1,1,0,0,0,0|1,0,0]=3 2163 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [1,1,0,0,0,0|1,0,1]=4 2164 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,1,0,0,0,0|0,0,2]=4 2165 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [1,1,0,0,0,0|1,0,0]=3 2166 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [1,1,0,0,0,0|1,0,0]=3 2167 B5R0.4 CC(C)(O)CF MCULE-6616447132 [1,1,0,0,0,0|1,0,0]=3 2168 B5R0.4 CC(C)(O)CI MCULE-5132198363 [1,1,0,0,0,0|1,0,0]=3 2169 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,0]=3 2170 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,0]=3 2171 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,1,0,0,0,0|0,0,0]=2 2172 B5R0.4 CC(C)(O)CS MCULE-2370088388 [1,1,0,0,0,0|0,0,0]=2 2173 B5R0.4 CC(C)(S)CN MCULE-4256015369 [1,1,0,0,0,0|1,1,0]=4 2174 B5R0.4 CC(C)(S)CN MCULE-8836856580 [1,1,0,0,0,0|1,1,0]=4 2175 B5R0.4 CC(C)(S)CO MCULE-6119329508 [1,1,0,0,0,0|0,1,0]=3 2176 B5R0.4 CC(Cl)(Cl)CCl MCULE-8236164177 [1,1,0,0,0,0|2,0,0]=4 2177 B5R0.4 CC(F)(F)CF MCULE-6634311008 [1,1,0,0,0,0|2,0,0]=4 2178 B5R0.4 CC(F)(F)CN MCULE-5449109500 [1,1,0,0,0,0|2,0,0]=4 2179 B5R0.4 CC(F)(F)CN MCULE-9330314243 [1,1,0,0,0,0|2,0,0]=4 2180 B5R0.4 CC(F)(F)CO MCULE-1049181656 [1,1,0,0,0,0|1,0,0]=3 2181 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [1,1,0,0,0,0|2,0,0]=4 2182 B5R0.4 CCC(C)(C)C MCULE-3388707671 [1,1,0,0,0,0|2,0,0]=4 2183 B5R0.4 CCC(C)(C)Cl MCULE-9597829372 [1,1,0,0,0,0|2,0,0]=4 2184 B5R0.4 CCC(C)(C)I MCULE-3678105747 [1,1,0,0,0,0|2,0,0]=4 2185 B5R0.4 CCC(C)(C)N MCULE-5538333672 [1,1,0,0,0,0|2,0,0]=4 2186 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,1,0,0,0,0|1,0,0]=3 2187 B5R0.4 CCC(C)(Cl)Cl MCULE-7771494508 [1,1,0,0,0,0|2,0,0]=4 2188 B5R0.4 CCC(C)(F)F MCULE-9944788511 [1,1,0,0,0,0|2,0,0]=4 2189 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|2,0,0]=4 2190 B5R0.4 C[Si](C)(C)CO MCULE-7434746060 [1,1,0,0,0,0|1,1,0]=4 2191 B5R0.4 FC(F)(F)CS MCULE-7976771174 [1,1,0,0,0,0|2,0,0]=4 2192 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|2,0,0]=4 2193 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,1,0,0,0,0|2,0,0]=4 2194 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|1,1,0]=4 2195 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|1,1,0]=4 2196 B5R0.4 OCC(Br)(Br)Br MCULE-9737115042 [1,1,0,0,0,0|2,0,0]=4 2197 B5R0.4 OCC(Cl)(Cl)Cl MCULE-8316955208 [1,1,0,0,0,0|2,0,0]=4 2198 B5R0.4 OCC(F)(Cl)Cl MCULE-2523125765 [1,1,0,0,0,0|2,0,0]=4 2199 B5R0.4 OCC(F)(F)Br MCULE-8857421613 [1,1,0,0,0,0|2,0,0]=4 2200 B5R0.4 OCC(F)(F)Cl MCULE-2727519309 [1,1,0,0,0,0|2,0,0]=4 2201 B5R0.4 OCC(F)(F)F MCULE-1284939486 [1,1,0,0,0,0|2,0,0]=4 2202 B5R0.4 OCC(F)(F)F MCULE-5503592317 [1,1,0,0,0,0|2,0,0]=4 2203 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|1,0,1]=4 2204 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|0,0,2]=4 2205 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|0,0,2]=4 2206 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|1,0,1]=4 2207 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|1,0,1]=4 2208 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [1,1,0,0,0,0|2,0,0]=4 2209 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [1,1,0,0,0,0|2,0,0]=4 2210 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [1,1,0,0,0,0|2,0,0]=4 2211 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,1,0,0,0,0|2,0,0]=4 2212 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|1,0,1]=4 2213 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|1,0,1]=4 2214 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [1,1,0,0,0,0|2,0,0]=4 2215 B5R0.5 CC(C)C(C)C MCULE-7887644548 [1,1,0,0,0,0|2,0,0]=4 2216 B5R0.5 CC(C)C(C)I MCULE-7528764320 [1,1,0,0,0,0|2,0,0]=4 2217 B5R0.5 CC(C)C(C)N MCULE-1630754475 [1,1,0,0,0,0|2,0,0]=4 2218 B5R0.5 CC(C)C(C)N MCULE-1801901816 [1,1,0,0,0,0|2,0,0]=4 2219 B5R0.5 CC(C)C(C)N MCULE-3544463874 [1,1,0,0,0,0|2,0,0]=4 2220 B5R0.5 CC(C)C(C)N MCULE-4774844065 [1,1,0,0,0,0|2,0,0]=4 2221 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,1,0,0,0,0|1,0,0]=3 2222 B5R0.5 CC(C)C(C)S MCULE-7489203323 [1,1,0,0,0,0|1,0,0]=3 2223 B5R0.5 CC(C)C(I)I MCULE-6684789578 [1,1,0,0,0,0|2,0,0]=4 2224 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|2,0,0]=4 2225 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [1,1,0,0,0,0|2,0,0]=4 2226 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [1,1,0,0,0,0|2,0,0]=4 2227 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [1,1,0,0,0,0|2,0,0]=4 2228 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,1,0,0,0,0|1,0,0]=3 2229 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [1,1,0,0,0,0|2,0,0]=4 2230 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [1,1,0,0,0,0|2,0,0]=4 2231 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [1,1,0,0,0,0|2,0,0]=4 2232 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,1,0,0,0,0|1,0,0]=3 2233 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,1,0,0,0,0|1,0,0]=3 2234 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|1,0,1]=4 2235 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|1,0,1]=4 2236 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [1,1,0,0,0,0|2,0,0]=4 2237 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [1,1,0,0,0,0|2,0,0]=4 2238 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|1,0,1]=4 2239 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|1,0,1]=4 2240 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|1,0,1]=4 2241 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|1,0,1]=4 2242 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|1,0,1]=4 2243 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,1,0,0,0,0|2,0,0]=4 2244 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|1,0,0]=3 2245 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|1,0,0]=3 2246 B5R0.5 CC(N)C(F)F MCULE-5449346446 [1,1,0,0,0,0|2,0,0]=4 2247 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|1,0,1]=4 2248 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|1,0,1]=4 2249 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|0,0,2]=4 2250 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|0,0,2]=4 2251 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|0,0,1]=3 2252 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|0,0,1]=3 2253 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|0,0,2]=4 2254 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|0,0,2]=4 2255 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|0,0,2]=4 2256 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,1,0,0,0,0|1,0,0]=3 2257 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [1,1,0,0,0,0|1,0,0]=3 2258 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,1,0,0,0,0|0,0,0]=2 2259 B5R0.5 CC(O)C(C)S MCULE-3741743569 [1,1,0,0,0,0|0,0,0]=2 2260 B5R0.5 CC(O)C(F)F MCULE-1258374037 [1,1,0,0,0,0|1,0,0]=3 2261 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|0,0,2]=4 2262 B5R0.5 CC(S)C(C)S MCULE-3508721208 [1,1,0,0,0,0|0,1,0]=3 2263 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|1,0,1]=4 2264 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|1,0,1]=4 2265 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|1,0,1]=4 2266 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|1,0,1]=4 2267 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|1,0,1]=4 2268 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|1,0,1]=4 2269 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [1,1,0,0,0,0|2,0,0]=4 2270 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [1,1,0,0,0,0|2,0,0]=4 2271 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,1,0,0,0,0|2,0,0]=4 2272 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|1,0,0]=3 2273 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|1,0,0]=3 2274 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|1,0,0]=3 2275 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|1,0,0]=3 2276 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|1,0,0]=3 2277 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|1,0,1]=4 2278 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|1,0,1]=4 2279 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|1,0,1]=4 2280 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|1,0,1]=4 2281 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|0,0,2]=4 2282 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|0,0,2]=4 2283 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|0,0,1]=3 2284 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|0,0,1]=3 2285 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|0,0,2]=4 2286 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|0,0,2]=4 2287 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|0,0,2]=4 2288 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,1,0,0,0,0|0,0,0]=2 2289 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,1,0,0,0,0|0,0,0]=2 2290 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,1,0,0,0,0|0,0,0]=2 2291 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|1,0,1]=4 2292 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|1,0,1]=4 2293 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [1,1,0,0,0,0|2,0,0]=4 2294 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|1,0,1]=4 2295 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|1,0,1]=4 2296 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|1,0,1]=4 2297 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|1,0,1]=4 2298 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|1,0,1]=4 2299 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|1,0,1]=4 2300 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|1,0,0]=3 2301 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|1,0,0]=3 2302 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,1,0,0,0,0|2,0,0]=4 2303 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|1,0,0]=3 2304 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|1,0,0]=3 2305 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|1,0,0]=3 2306 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|1,0,0]=3 2307 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|0,0,2]=4 2308 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|0,0,1]=3 2309 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|0,0,1]=3 2310 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|0,0,2]=4 2311 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|0,0,2]=4 2312 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|0,0,2]=4 2313 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|0,0,2]=4 2314 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|0,0,2]=4 2315 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|1,0,0]=3 2316 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|1,0,0]=3 2317 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|1,0,0]=3 2318 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|1,0,0]=3 2319 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,1,0,0,0,0|0,0,0]=2 2320 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,1,0,0,0,0|0,0,0]=2 2321 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,1,0,0,0,0|0,0,0]=2 2322 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [1,1,0,0,0,0|0,0,0]=2 2323 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|0,1,1]=4 2324 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|0,1,1]=4 2325 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [1,1,0,0,0,0|1,0,0]=3 2326 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|0,0,2]=4 2327 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [1,1,0,0,0,0|2,0,0]=4 2328 B5R0.2 BrCCCCBr MCULE-5088378536 [1,1,0,0,0,0|2,0,0]=4 2329 B5R0.2 C#CCCCBr MCULE-3834416844 [1,1,0,0,0,0|2,0,0]=4 2330 B5R0.2 C#CCCCC MCULE-5706969297 [1,1,0,0,0,0|2,0,0]=4 2331 B5R0.2 C#CCCCCl MCULE-3879115419 [1,1,0,0,0,0|2,0,0]=4 2332 B5R0.2 C#CCCCI MCULE-4063232871 [1,1,0,0,0,0|2,0,0]=4 2333 B5R0.2 C#CCCCN MCULE-3191305523 [1,1,0,0,0,0|2,0,0]=4 2334 B5R0.2 C#CCCCN MCULE-3259677872 [1,1,0,0,0,0|2,0,0]=4 2335 B5R0.2 C#CCCCO MCULE-6360852809 [1,1,0,0,0,0|1,0,0]=3 2336 B5R0.2 C#CCCOC MCULE-7152168835 [1,1,0,0,0,0|1,0,1]=4 2337 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|1,0,1]=4 2338 B5R0.2 C=C=CCCO MCULE-1054355649 [1,1,0,0,0,0|1,0,1]=4 2339 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|2,0,0]=4 2340 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|2,0,0]=4 2341 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|2,0,0]=4 2342 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|2,0,0]=4 2343 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|2,0,0]=4 2344 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|2,0,0]=4 2345 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|1,0,0]=3 2346 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|1,0,1]=4 2347 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|1,0,1]=4 2348 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|1,0,1]=4 2349 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|1,0,1]=4 2350 B5R0.2 CC#CCCO MCULE-9400138491 [1,1,0,0,0,0|1,0,1]=4 2351 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|1,0,1]=4 2352 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|1,0,1]=4 2353 B5R0.2 CCC#CCO MCULE-8633965917 [1,1,0,0,0,0|1,0,1]=4 2354 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|1,0,1]=4 2355 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|1,0,1]=4 2356 B5R0.2 CCCCC#N MCULE-4015236167 [1,1,0,0,0,0|2,0,0]=4 2357 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|1,0,1]=4 2358 B5R0.2 CCCCCBr MCULE-8513521912 [1,1,0,0,0,0|2,0,0]=4 2359 B5R0.2 CCCCCC MCULE-3465692202 [1,1,0,0,0,0|2,0,0]=4 2360 B5R0.2 CCCCCCl MCULE-4412759460 [1,1,0,0,0,0|2,0,0]=4 2361 B5R0.2 CCCCCF MCULE-6399883281 [1,1,0,0,0,0|2,0,0]=4 2362 B5R0.2 CCCCCI MCULE-4590300793 [1,1,0,0,0,0|2,0,0]=4 2363 B5R0.2 CCCCCN MCULE-3371742982 [1,1,0,0,0,0|2,0,0]=4 2364 B5R0.2 CCCCCN MCULE-4371067300 [1,1,0,0,0,0|2,0,0]=4 2365 B5R0.2 CCCCCN MCULE-6547961798 [1,1,0,0,0,0|2,0,0]=4 2366 B5R0.2 CCCCCN MCULE-7483248760 [1,1,0,0,0,0|2,0,0]=4 2367 B5R0.2 CCCCCO MCULE-8714292632 [1,1,0,0,0,0|1,0,0]=3 2368 B5R0.2 CCCCCS MCULE-5476379340 [1,1,0,0,0,0|1,0,0]=3 2369 B5R0.2 CCCCNC MCULE-9321610906 [1,1,0,0,0,0|2,0,0]=4 2370 B5R0.2 CCCCNN MCULE-6681305566 [1,1,0,0,0,0|2,0,0]=4 2371 B5R0.2 CCCCNN MCULE-6890760890 [1,1,0,0,0,0|2,0,0]=4 2372 B5R0.2 CCCCNN MCULE-7362497327 [1,1,0,0,0,0|2,0,0]=4 2373 B5R0.2 CCCCNN MCULE-8463623644 [1,1,0,0,0,0|2,0,0]=4 2374 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|1,0,0]=3 2375 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|1,0,0]=3 2376 B5R0.2 CCCCOC MCULE-9814272675 [1,1,0,0,0,0|1,0,0]=3 2377 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|1,0,0]=3 2378 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|1,0,0]=3 2379 B5R0.2 CCCCSC MCULE-2799775567 [1,1,0,0,0,0|1,0,0]=3 2380 B5R0.2 CCCNCC MCULE-7948828264 [1,1,0,0,0,0|2,0,0]=4 2381 B5R0.2 CCCNCC MCULE-9107549207 [1,1,0,0,0,0|2,0,0]=4 2382 B5R0.2 CCCOCBr MCULE-3585683043 [1,1,0,0,0,0|2,0,0]=4 2383 B5R0.2 CCCOCC MCULE-9971916790 [1,1,0,0,0,0|2,0,0]=4 2384 B5R0.2 CCCOCCl MCULE-1932627202 [1,1,0,0,0,0|2,0,0]=4 2385 B5R0.2 CCCSCC MCULE-4547385568 [1,1,0,0,0,0|2,0,0]=4 2386 B5R0.2 CCCSSC MCULE-3127072032 [1,1,0,0,0,0|2,0,0]=4 2387 B5R0.2 CCNCCCl MCULE-2589770119 [1,1,0,0,0,0|2,0,0]=4 2388 B5R0.2 CCNCCCl MCULE-3098032672 [1,1,0,0,0,0|2,0,0]=4 2389 B5R0.2 CCNCCN MCULE-7854769899 [1,1,0,0,0,0|2,0,0]=4 2390 B5R0.2 CCNCCO MCULE-2537734730 [1,1,0,0,0,0|1,0,0]=3 2391 B5R0.2 CCNCCO MCULE-3738714907 [1,1,0,0,0,0|1,0,0]=3 2392 B5R0.2 CCOCCBr MCULE-4818900555 [1,1,0,0,0,0|2,0,0]=4 2393 B5R0.2 CCOCCCl MCULE-1290576729 [1,1,0,0,0,0|2,0,0]=4 2394 B5R0.2 CCOCCI MCULE-1833092968 [1,1,0,0,0,0|2,0,0]=4 2395 B5R0.2 CCOCCN MCULE-1254431240 [1,1,0,0,0,0|2,0,0]=4 2396 B5R0.2 CCOCCN MCULE-4039110889 [1,1,0,0,0,0|2,0,0]=4 2397 B5R0.2 CCOCCN MCULE-4400456933 [1,1,0,0,0,0|2,0,0]=4 2398 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|1,0,0]=3 2399 B5R0.2 CCOCCS MCULE-3968740645 [1,1,0,0,0,0|1,0,0]=3 2400 B5R0.2 CCSCCBr MCULE-9449933342 [1,1,0,0,0,0|2,0,0]=4 2401 B5R0.2 CCSCCCl MCULE-4057847237 [1,1,0,0,0,0|2,0,0]=4 2402 B5R0.2 CCSCCN MCULE-3375644872 [1,1,0,0,0,0|2,0,0]=4 2403 B5R0.2 CCSCCN MCULE-4466279976 [1,1,0,0,0,0|2,0,0]=4 2404 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|1,0,0]=3 2405 B5R0.2 CCSCCS MCULE-4583054157 [1,1,0,0,0,0|1,0,0]=3 2406 B5R0.2 CNCCCBr MCULE-3376600253 [1,1,0,0,0,0|2,0,0]=4 2407 B5R0.2 CNCCCBr MCULE-6212326106 [1,1,0,0,0,0|2,0,0]=4 2408 B5R0.2 CNCCCCl MCULE-1007719210 [1,1,0,0,0,0|2,0,0]=4 2409 B5R0.2 CNCCCCl MCULE-6146901643 [1,1,0,0,0,0|2,0,0]=4 2410 B5R0.2 CNCCCF MCULE-7647417887 [1,1,0,0,0,0|2,0,0]=4 2411 B5R0.2 CNCCCN MCULE-1736081896 [1,1,0,0,0,0|2,0,0]=4 2412 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|1,0,0]=3 2413 B5R0.2 CNCCOC MCULE-2857904484 [1,1,0,0,0,0|2,0,0]=4 2414 B5R0.2 CNCCOC MCULE-5342712496 [1,1,0,0,0,0|2,0,0]=4 2415 B5R0.2 CNCCSC MCULE-2812984399 [1,1,0,0,0,0|2,0,0]=4 2416 B5R0.2 CNCCSC MCULE-2942435951 [1,1,0,0,0,0|2,0,0]=4 2417 B5R0.2 COCCC#N MCULE-3009737584 [1,1,0,0,0,0|1,0,1]=4 2418 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|0,1,1]=4 2419 B5R0.2 COCCCBr MCULE-6489536401 [1,1,0,0,0,0|1,0,0]=3 2420 B5R0.2 COCCCCl MCULE-9192274624 [1,1,0,0,0,0|1,0,0]=3 2421 B5R0.2 COCCCF MCULE-5055725246 [1,1,0,0,0,0|1,0,0]=3 2422 B5R0.2 COCCCI MCULE-9111605439 [1,1,0,0,0,0|1,0,0]=3 2423 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,0]=3 2424 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,0]=3 2425 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|0,1,0]=3 2426 B5R0.2 COCCCS MCULE-2371333731 [1,1,0,0,0,0|0,0,0]=2 2427 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|2,0,0]=4 2428 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|2,0,0]=4 2429 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|2,0,0]=4 2430 B5R0.2 COCCOC MCULE-7572196731 [1,1,0,0,0,0|2,0,0]=4 2431 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|2,0,0]=4 2432 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|2,0,0]=4 2433 B5R0.2 COCCSC MCULE-5362054021 [1,1,0,0,0,0|2,0,0]=4 2434 B5R0.2 CONCCN MCULE-3332727097 [1,1,0,0,0,0|2,0,0]=4 2435 B5R0.2 CONCCN MCULE-5066538639 [1,1,0,0,0,0|2,0,0]=4 2436 B5R0.2 CONCCO MCULE-9787830121 [1,1,0,0,0,0|1,1,0]=4 2437 B5R0.2 CSCCC#N MCULE-5755086116 [1,1,0,0,0,0|1,0,1]=4 2438 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|0,0,2]=4 2439 B5R0.2 CSCCCBr MCULE-8399851816 [1,1,0,0,0,0|1,0,0]=3 2440 B5R0.2 CSCCCCl MCULE-1829120476 [1,1,0,0,0,0|1,0,0]=3 2441 B5R0.2 CSCCCN MCULE-1030938424 [1,1,0,0,0,0|1,0,0]=3 2442 B5R0.2 CSCCCN MCULE-4664984921 [1,1,0,0,0,0|1,0,0]=3 2443 B5R0.2 CSCCCO MCULE-9232413185 [1,1,0,0,0,0|0,0,0]=2 2444 B5R0.2 CSCCCS MCULE-8405766359 [1,1,0,0,0,0|0,1,0]=3 2445 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|2,0,0]=4 2446 B5R0.2 CSSCCN MCULE-7065189564 [1,1,0,0,0,0|2,0,0]=4 2447 B5R0.2 CSSCCN MCULE-8654200268 [1,1,0,0,0,0|2,0,0]=4 2448 B5R0.2 ClCCCCBr MCULE-7973194927 [1,1,0,0,0,0|2,0,0]=4 2449 B5R0.2 ClCCCCCl MCULE-4863501782 [1,1,0,0,0,0|2,0,0]=4 2450 B5R0.2 ClCCCCI MCULE-4303507089 [1,1,0,0,0,0|2,0,0]=4 2451 B5R0.2 ClCCOCCl MCULE-7585684590 [1,1,0,0,0,0|2,0,0]=4 2452 B5R0.2 ClCOCCBr MCULE-6843473950 [1,1,0,0,0,0|2,0,0]=4 2453 B5R0.2 FCCCCBr MCULE-8408956872 [1,1,0,0,0,0|2,0,0]=4 2454 B5R0.2 FCCCCF MCULE-1347438150 [1,1,0,0,0,0|2,0,0]=4 2455 B5R0.2 ICCCCI MCULE-1390457250 [1,1,0,0,0,0|2,0,0]=4 2456 B5R0.2 N#CCCCBr MCULE-2664469446 [1,1,0,0,0,0|2,0,0]=4 2457 B5R0.2 N#CCCCCl MCULE-3310172135 [1,1,0,0,0,0|2,0,0]=4 2458 B5R0.2 N#CCCCF MCULE-3514322336 [1,1,0,0,0,0|2,0,0]=4 2459 B5R0.2 N#CCCCI MCULE-7661529037 [1,1,0,0,0,0|2,0,0]=4 2460 B5R0.2 N#CCCCN MCULE-7159177087 [1,1,0,0,0,0|2,0,0]=4 2461 B5R0.2 N#CCCCN MCULE-8406710235 [1,1,0,0,0,0|2,0,0]=4 2462 B5R0.2 N#CCCCO MCULE-2108386837 [1,1,0,0,0,0|1,0,0]=3 2463 B5R0.2 N#CCCON MCULE-4242787851 [1,1,0,0,0,0|1,0,1]=4 2464 B5R0.2 N#CCCON MCULE-9943219810 [1,1,0,0,0,0|1,0,1]=4 2465 B5R0.2 N#N=NCCO MCULE-6147827656 [1,1,0,0,0,0|2,0,0]=4 2466 B5R0.2 NCC#CCO MCULE-4844677613 [1,1,0,0,0,0|1,0,1]=4 2467 B5R0.2 NCC#CCO MCULE-9095239812 [1,1,0,0,0,0|1,0,1]=4 2468 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|1,0,1]=4 2469 B5R0.2 NCCCCBr MCULE-7095299053 [1,1,0,0,0,0|2,0,0]=4 2470 B5R0.2 NCCCCBr MCULE-7716027825 [1,1,0,0,0,0|2,0,0]=4 2471 B5R0.2 NCCCCCl MCULE-8484381726 [1,1,0,0,0,0|2,0,0]=4 2472 B5R0.2 NCCCCCl MCULE-9917306082 [1,1,0,0,0,0|2,0,0]=4 2473 B5R0.2 NCCCCF MCULE-4260727945 [1,1,0,0,0,0|2,0,0]=4 2474 B5R0.2 NCCCCF MCULE-7716720921 [1,1,0,0,0,0|2,0,0]=4 2475 B5R0.2 NCCCCN MCULE-3098044935 [1,1,0,0,0,0|2,0,0]=4 2476 B5R0.2 NCCCCN MCULE-7898833229 [1,1,0,0,0,0|2,0,0]=4 2477 B5R0.2 NCCCCN MCULE-8029479697 [1,1,0,0,0,0|2,0,0]=4 2478 B5R0.2 NCCCCN MCULE-8509656776 [1,1,0,0,0,0|2,0,0]=4 2479 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|1,0,0]=3 2480 B5R0.2 NCCCCS MCULE-4353910418 [1,1,0,0,0,0|1,0,0]=3 2481 B5R0.2 NCCCCS MCULE-9812416858 [1,1,0,0,0,0|1,0,0]=3 2482 B5R0.2 NCCCNN MCULE-7657257572 [1,1,0,0,0,0|2,0,0]=4 2483 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|1,0,0]=3 2484 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|1,0,0]=3 2485 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|1,0,0]=3 2486 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|1,0,0]=3 2487 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|1,0,0]=3 2488 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|0,1,0]=3 2489 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|0,1,0]=3 2490 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|0,0,0]=2 2491 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|0,0,0]=2 2492 B5R0.2 NOCCON MCULE-2027662613 [1,1,0,0,0,0|2,0,0]=4 2493 B5R0.2 NOCCON MCULE-3458073239 [1,1,0,0,0,0|2,0,0]=4 2494 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|1,0,1]=4 2495 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|1,0,1]=4 2496 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|1,0,1]=4 2497 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|0,1,0]=3 2498 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|0,1,1]=4 2499 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|0,1,1]=4 2500 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,1,0,0,0,0|1,0,1]=4 2501 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,1,0,0,0,0|0,1,1]=4 2502 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,1,0,0,0,0|0,1,1]=4 2503 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|1,0,1]=4 2504 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|1,0,1]=4 2505 B5R0.2 OCC#CCBr MCULE-1662147427 [1,1,0,0,0,0|1,0,1]=4 2506 B5R0.2 OCC#CCCl MCULE-9445494949 [1,1,0,0,0,0|1,0,1]=4 2507 B5R0.2 OCC#CCO MCULE-2650636766 [1,1,0,0,0,0|0,1,1]=4 2508 B5R0.2 OCC=CCCl MCULE-7597942117 [1,1,0,0,0,0|1,0,1]=4 2509 B5R0.2 OCC=CCO MCULE-9559211408 [1,1,0,0,0,0|0,1,1]=4 2510 B5R0.2 OCCCCBr MCULE-9231591925 [1,1,0,0,0,0|1,0,0]=3 2511 B5R0.2 OCCCCCl MCULE-3507644812 [1,1,0,0,0,0|1,0,0]=3 2512 B5R0.2 OCCCCF MCULE-9242285588 [1,1,0,0,0,0|1,0,0]=3 2513 B5R0.2 OCCCCI MCULE-8723720522 [1,1,0,0,0,0|1,0,0]=3 2514 B5R0.2 OCCCCO MCULE-2010022287 [1,1,0,0,0,0|0,1,0]=3 2515 B5R0.2 OCCCCO MCULE-6551106098 [1,1,0,0,0,0|0,1,0]=3 2516 B5R0.2 OCCCCS MCULE-8169490949 [1,1,0,0,0,0|0,0,0]=2 2517 B5R0.2 OCCNCO MCULE-2141033453 [1,1,0,0,0,0|0,1,0]=3 2518 B5R0.2 SCCCCS MCULE-6695609899 [1,1,0,0,0,0|0,1,0]=3 2519 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|1,0,0]=3 2520 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,2,0,0,0,0|2,0,0]=4 2521 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|1,0,1]=4 2522 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [0,2,0,0,0,0|2,0,0]=4 2523 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [0,2,0,0,0,0|2,0,0]=4 2524 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [0,2,0,0,0,0|2,0,0]=4 2525 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [0,2,0,0,0,0|2,0,0]=4 2526 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [0,2,0,0,0,0|2,0,0]=4 2527 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [0,2,0,0,0,0|2,0,0]=4 2528 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [0,2,0,0,0,0|2,0,0]=4 2529 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [0,2,0,0,0,0|2,0,0]=4 2530 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [0,2,0,0,0,0|2,0,0]=4 2531 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [0,2,0,0,0,0|2,0,0]=4 2532 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|2,0,0]=4 2533 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|2,0,0]=4 2534 B7R0.2 CC(CO)CC(F)F MCULE-1470130605 [0,2,0,0,0,0|2,0,0]=4 2535 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [0,2,0,0,0,0|2,0,0]=4 2536 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,2,0,0,0,0|2,0,0]=4 2538 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|2,0,0]=4 2539 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|2,0,0]=4 2540 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|2,0,0]=4 2541 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|2,0,0]=4 2542 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,2,0,0,0,0|2,0,0]=4 2543 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,2,0,0,0,0|1,0,1]=4 2544 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|1,0,0]=3 2545 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,2,0,0,0,0|1,0,0]=3 2546 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,2,0,0,0,0|1,0,1]=4 2547 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,2,0,0,0,0|2,0,0]=4 2548 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|2,0,0]=4 2549 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|2,0,0]=4 2551 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|2,0,0]=4 2552 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|2,0,0]=4 2553 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|2,0,0]=4 2554 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|2,0,0]=4 2555 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|2,0,0]=4 2556 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|2,0,0]=4 2558 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|2,0,0]=4 2559 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|2,0,0]=4 2560 B7R0.2 CN(C)CC(N)CO MCULE-2789134862 [0,2,0,0,0,0|2,0,0]=4 2561 B7R0.2 CN(C)CC(N)CO MCULE-4090276677 [0,2,0,0,0,0|2,0,0]=4 2562 B7R0.2 CN(C)CC(O)CCl MCULE-3657515294 [0,2,0,0,0,0|2,0,0]=4 2563 B7R0.2 CN(C)CC(O)CCl MCULE-8459273595 [0,2,0,0,0,0|2,0,0]=4 2564 B7R0.2 CN(C)CC(O)CN MCULE-7476161270 [0,2,0,0,0,0|2,0,0]=4 2565 B7R0.2 CN(C)CC(O)CN MCULE-8533203733 [0,2,0,0,0,0|2,0,0]=4 2566 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [0,2,0,0,0,0|1,0,0]=3 2567 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [0,2,0,0,0,0|1,0,0]=3 2568 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [0,2,0,0,0,0|1,0,0]=3 2569 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|2,0,0]=4 2570 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|2,0,0]=4 2571 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|1,1,0]=4 2572 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|1,1,0]=4 2573 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|1,1,0]=4 2574 B7R0.2 NC(CO)CC(F)F MCULE-5033329865 [0,2,0,0,0,0|2,0,0]=4 2575 B7R0.2 NC(CO)CC(F)F MCULE-6986507912 [0,2,0,0,0,0|2,0,0]=4 2576 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|2,0,0]=4 2577 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|2,0,0]=4 2578 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|1,0,0]=3 2579 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,2,0,0,0,0|2,0,0]=4 2580 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,2,0,0,0,0|2,0,0]=4 2581 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|2,0,0]=4 2582 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|2,0,0]=4 2583 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|1,0,0]=3 2584 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|1,0,0]=3 2585 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|2,0,0]=4 2586 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|2,0,0]=4 2587 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|1,0,0]=3 2588 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|1,0,0]=3 2589 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|1,1,0]=4 2590 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|1,1,0]=4 2591 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|1,1,0]=4 2592 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|1,1,0]=4 2593 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|0,1,0]=3 2594 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|0,1,0]=3 2595 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,2,0,0,0,0|0,1,0]=3 2596 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,2,0,0,0,0|0,1,0]=3 2597 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,2,0,0,0,0|1,1,0]=4 2599 B7R0.3 C#CCCC(O)CC MCULE-2969540863 [0,2,0,0,0,0|2,0,0]=4 2600 B7R0.3 C#CCCC(O)CN MCULE-7845137108 [0,2,0,0,0,0|2,0,0]=4 2601 B7R0.3 C#CCC[C@@H](N)CO MCULE-6761945465 [0,2,0,0,0,0|2,0,0]=4 2602 B7R0.3 C#CCC[C@@H](N)CO MCULE-9589288760 [0,2,0,0,0,0|2,0,0]=4 2603 B7R0.3 C#CCC[C@H](N)CO MCULE-5308019604 [0,2,0,0,0,0|2,0,0]=4 2604 B7R0.3 C#CCC[C@H](N)CO MCULE-7191637286 [0,2,0,0,0,0|2,0,0]=4 2605 B7R0.3 C#CCOC(C)CO MCULE-5112536028 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.3 C=CCCC(N)CO MCULE-2658614123 [0,2,0,0,0,0|2,0,0]=4 2607 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [0,2,0,0,0,0|1,0,0]=3 2611 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.3 CC#CCC(N)CO MCULE-1082443924 [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.3 CC#CCC(O)CC MCULE-3474605709 [0,2,0,0,0,0|2,0,0]=4 2614 B7R0.3 CC(CN)CCCO MCULE-2908684674 [0,2,0,0,0,0|2,0,0]=4 2615 B7R0.3 CC(CN)CCCO MCULE-5608783947 [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.3 CC(CN)CCCO MCULE-9269954426 [0,2,0,0,0,0|2,0,0]=4 2617 B7R0.3 CC(CO)CCCO MCULE-8589885622 [0,2,0,0,0,0|1,1,0]=4 2618 B7R0.3 CC(CO)NCCO MCULE-5180763491 [0,2,0,0,0,0|1,1,0]=4 2619 B7R0.3 CCC(C)CCCO MCULE-2323419626 [0,2,0,0,0,0|2,0,0]=4 2620 B7R0.3 CCC(C)NCCO MCULE-1340916666 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.3 CCC(N)CCCO MCULE-3868205501 [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.3 CCC(N)CCOC MCULE-8279767210 [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.3 CCC(O)CCCN MCULE-1491163174 [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.3 CCC(O)CCCN MCULE-5150508895 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.3 CCC(O)CCCO MCULE-1099760826 [0,2,0,0,0,0|1,0,0]=3 2626 B7R0.3 CCC(O)CCOC MCULE-1245099360 [0,2,0,0,0,0|1,0,0]=3 2627 B7R0.3 CCC(O)CN=N#N MCULE-2314271585 [0,2,0,0,0,0|2,0,0]=4 2628 B7R0.3 CCCCC(N)CO MCULE-1874423109 [0,2,0,0,0,0|2,0,0]=4 2629 B7R0.3 CCCCC(N)CO MCULE-2041767659 [0,2,0,0,0,0|2,0,0]=4 2630 B7R0.3 CCCCC(N)CO MCULE-4533575851 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.3 CCCCC(N)CO MCULE-7141990411 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [0,2,0,0,0,0|2,0,0]=4 2633 B7R0.3 CCCCC(O)CC MCULE-3912386534 [0,2,0,0,0,0|2,0,0]=4 2634 B7R0.3 CCCCC(O)CN MCULE-1383380728 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.3 CCCCC(O)CO MCULE-6903923961 [0,2,0,0,0,0|1,0,0]=3 2636 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [0,2,0,0,0,0|2,0,0]=4 2637 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [0,2,0,0,0,0|2,0,0]=4 2638 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [0,2,0,0,0,0|2,0,0]=4 2641 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [0,2,0,0,0,0|2,0,0]=4 2642 B7R0.3 CCCNC(C)CO MCULE-6575712324 [0,2,0,0,0,0|2,0,0]=4 2643 B7R0.3 CCNCC(O)CC MCULE-9820144398 [0,2,0,0,0,0|2,0,0]=4 2644 B7R0.3 CCOCC(C)CO MCULE-6831759423 [0,2,0,0,0,0|1,1,0]=4 2645 B7R0.3 CCOCC(N)CC MCULE-2793834769 [0,2,0,0,0,0|2,0,0]=4 2646 B7R0.3 CCOCC(N)CC MCULE-5142543434 [0,2,0,0,0,0|2,0,0]=4 2647 B7R0.3 CCOCC(N)CO MCULE-8546500751 [0,2,0,0,0,0|1,1,0]=4 2648 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [0,2,0,0,0,0|1,0,0]=3 2649 B7R0.3 CCOCC(O)CN MCULE-2355759727 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.3 CCOCC(O)CO MCULE-2728952355 [0,2,0,0,0,0|0,1,0]=3 2651 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [0,2,0,0,0,0|2,0,0]=4 2652 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [0,2,0,0,0,0|2,0,0]=4 2653 B7R0.3 COCCC(C)CN MCULE-7288397543 [0,2,0,0,0,0|2,0,0]=4 2654 B7R0.3 COCCC(N)CO MCULE-9758817920 [0,2,0,0,0,0|1,1,0]=4 2655 B7R0.3 COCOC(C)CO MCULE-5033492685 [0,2,0,0,0,0|1,1,0]=4 2656 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [0,2,0,0,0,0|1,1,0]=4 2657 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [0,2,0,0,0,0|1,1,0]=4 2658 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [0,2,0,0,0,0|1,1,0]=4 2659 B7R0.3 CSCCC(N)CO MCULE-1688371230 [0,2,0,0,0,0|1,0,0]=3 2660 B7R0.3 CSCCC(O)C#N MCULE-3484786988 [0,2,0,0,0,0|1,0,1]=4 2661 B7R0.3 CSCCC(O)CN MCULE-3835830442 [0,2,0,0,0,0|1,0,0]=3 2662 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [0,2,0,0,0,0|1,0,0]=3 2663 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [0,2,0,0,0,0|1,0,0]=3 2664 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [0,2,0,0,0,0|2,0,0]=4 2665 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [0,2,0,0,0,0|1,0,0]=3 2666 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [0,2,0,0,0,0|1,0,0]=3 2667 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [0,2,0,0,0,0|2,0,0]=4 2668 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [0,2,0,0,0,0|2,0,0]=4 2669 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [0,2,0,0,0,0|2,0,0]=4 2670 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [0,2,0,0,0,0|2,0,0]=4 2671 B7R0.3 N#N=NCC(O)CCl MCULE-3212339720 [0,2,0,0,0,0|2,0,0]=4 2672 B7R0.3 N#N=NCC(O)CO MCULE-9290720433 [0,2,0,0,0,0|1,0,0]=3 2673 B7R0.3 OCCCC(O)CO MCULE-3529953491 [0,2,0,0,0,0|0,1,0]=3 2674 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|1,0,1]=4 2675 B7R0.5 C#CCC(O)C(C)C MCULE-5540203369 [0,2,0,0,0,0|2,0,0]=4 2676 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,1]=4 2677 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [0,2,0,0,0,0|2,0,0]=4 2678 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,1]=4 2679 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,1]=4 2680 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [0,2,0,0,0,0|2,0,0]=4 2681 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [0,2,0,0,0,0|2,0,0]=4 2682 B7R0.5 CC(C)C(O)CC#N MCULE-5148911726 [0,2,0,0,0,0|2,0,0]=4 2683 B7R0.5 CC(C)C(O)CCCl MCULE-3510291624 [0,2,0,0,0,0|2,0,0]=4 2684 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [0,2,0,0,0,0|2,0,0]=4 2685 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [0,2,0,0,0,0|2,0,0]=4 2686 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [0,2,0,0,0,0|1,0,0]=3 2687 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [0,2,0,0,0,0|2,0,0]=4 2688 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [0,2,0,0,0,0|2,0,0]=4 2689 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [0,2,0,0,0,0|2,0,0]=4 2690 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [0,2,0,0,0,0|2,0,0]=4 2691 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [0,2,0,0,0,0|2,0,0]=4 2692 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,2,0,0,0,0|2,0,0]=4 2693 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|1,0,1]=4 2694 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|1,0,1]=4 2695 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [0,2,0,0,0,0|2,0,0]=4 2696 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|1,0,1]=4 2697 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|1,0,1]=4 2698 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|1,0,1]=4 2699 B7R0.5 CCOC(O)C(F)F MCULE-2123177092 [0,2,0,0,0,0|2,0,0]=4 2700 B7R0.5 COCC(C)C(C)N MCULE-6465669754 [0,2,0,0,0,0|2,0,0]=4 2701 B7R0.5 COCC(N)C(C)C MCULE-4185259512 [0,2,0,0,0,0|2,0,0]=4 2702 B7R0.5 COCC(N)C(C)C MCULE-6424539237 [0,2,0,0,0,0|2,0,0]=4 2703 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|0,1,1]=4 2704 B7R0.5 COCC(O)C(C)C MCULE-3818851772 [0,2,0,0,0,0|1,0,0]=3 2705 B7R0.5 COC[C@@H](N)C(C)C MCULE-2081062888 [0,2,0,0,0,0|2,0,0]=4 2706 B7R0.5 COC[C@@H](N)C(C)C MCULE-3286077946 [0,2,0,0,0,0|2,0,0]=4 2707 B7R0.5 COC[C@@H](N)C(C)C MCULE-3882144478 [0,2,0,0,0,0|2,0,0]=4 2708 B7R0.5 COC[C@H](N)C(C)C MCULE-3191900867 [0,2,0,0,0,0|2,0,0]=4 2709 B7R0.5 COC[C@H](N)C(C)C MCULE-3410691563 [0,2,0,0,0,0|2,0,0]=4 2710 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|1,0,1]=4 2711 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,0,1]=4 2712 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,0,1]=4 2713 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,0,1]=4 2714 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|1,0,1]=4 2715 B7R0.5 NC(CCO)C(F)F MCULE-1854847569 [0,2,0,0,0,0|2,0,0]=4 2716 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|1,0,1]=4 2717 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|1,0,1]=4 2718 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,1]=4 2719 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,1]=4 2720 B7R0.5 NCCC(O)C(F)F MCULE-7251767327 [0,2,0,0,0,0|2,0,0]=4 2721 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,1]=4 2722 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,1]=4 2723 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,1]=4 2724 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|1,0,1]=4 2725 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|1,0,1]=4 2726 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|1,0,1]=4 2727 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|1,0,1]=4 2728 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|1,0,1]=4 2729 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|0,1,1]=4 2730 B7R0.7 C#CCC(N)COC MCULE-8603079673 [0,2,0,0,0,0|2,0,0]=4 2731 B7R0.7 C#CC[C@@H](O)COC MCULE-5751153207 [0,2,0,0,0,0|1,0,0]=3 2732 B7R0.7 C#CC[C@H](O)COC MCULE-1465786417 [0,2,0,0,0,0|1,0,0]=3 2733 B7R0.7 C=CCC(N)COC MCULE-6306522587 [0,2,0,0,0,0|2,0,0]=4 2734 B7R0.7 C=CCC(O)CC=C MCULE-5356579850 [0,2,0,0,0,0|2,0,0]=4 2735 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [0,2,0,0,0,0|2,0,0]=4 2736 B7R0.7 CC(CCN)CCO MCULE-7864092529 [0,2,0,0,0,0|2,0,0]=4 2737 B7R0.7 CC(CCO)CCO MCULE-5426211201 [0,2,0,0,0,0|1,1,0]=4 2738 B7R0.7 CCCC(C)CCO MCULE-6887128167 [0,2,0,0,0,0|2,0,0]=4 2739 B7R0.7 CCCC(N)CCO MCULE-3641094890 [0,2,0,0,0,0|2,0,0]=4 2740 B7R0.7 CCCC(N)CCO MCULE-5323991138 [0,2,0,0,0,0|2,0,0]=4 2741 B7R0.7 CCCC(N)CCO MCULE-6597027417 [0,2,0,0,0,0|2,0,0]=4 2742 B7R0.7 CCCC(N)CCO MCULE-8093709628 [0,2,0,0,0,0|2,0,0]=4 2743 B7R0.7 CCCC(O)CCC MCULE-1942797307 [0,2,0,0,0,0|2,0,0]=4 2744 B7R0.7 CCCC(O)CCN MCULE-3796998426 [0,2,0,0,0,0|2,0,0]=4 2745 B7R0.7 CCCC(O)CCO MCULE-6957178966 [0,2,0,0,0,0|1,0,0]=3 2746 B7R0.7 CCCC(S)CCO MCULE-7972451905 [0,2,0,0,0,0|1,1,0]=4 2747 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [0,2,0,0,0,0|2,0,0]=4 2748 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [0,2,0,0,0,0|2,0,0]=4 2749 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [0,2,0,0,0,0|2,0,0]=4 2750 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [0,2,0,0,0,0|2,0,0]=4 2751 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [0,2,0,0,0,0|2,0,0]=4 2752 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [0,2,0,0,0,0|2,0,0]=4 2753 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [0,2,0,0,0,0|2,0,0]=4 2754 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [0,2,0,0,0,0|2,0,0]=4 2755 B7R0.7 CCNC(C)CCO MCULE-5904294074 [0,2,0,0,0,0|2,0,0]=4 2756 B7R0.7 CCNC(C)COC MCULE-3519332383 [0,2,0,0,0,0|2,0,0]=4 2757 B7R0.7 CCNC(C)COC MCULE-9226487666 [0,2,0,0,0,0|2,0,0]=4 2758 B7R0.7 CNCC(O)CNC MCULE-3978089543 [0,2,0,0,0,0|2,0,0]=4 2759 B7R0.7 CNCC(O)COC MCULE-8497493216 [0,2,0,0,0,0|1,0,0]=3 2760 B7R0.7 COCC(Br)COC MCULE-8590528928 [0,2,0,0,0,0|1,1,0]=4 2761 B7R0.7 COCC(C)CC#N MCULE-8156908577 [0,2,0,0,0,0|2,0,0]=4 2762 B7R0.7 COCC(C)CCO MCULE-6812981556 [0,2,0,0,0,0|1,1,0]=4 2763 B7R0.7 COCC(Cl)COC MCULE-1871071718 [0,2,0,0,0,0|1,1,0]=4 2764 B7R0.7 COCC(N)CCO MCULE-2569422233 [0,2,0,0,0,0|1,1,0]=4 2765 B7R0.7 COCC(N)COC MCULE-3531117264 [0,2,0,0,0,0|1,1,0]=4 2766 B7R0.7 COCC(N)COC MCULE-3609597955 [0,2,0,0,0,0|1,1,0]=4 2767 B7R0.7 COCC(O)CCN MCULE-9524454931 [0,2,0,0,0,0|1,0,0]=3 2768 B7R0.7 COCC(O)COC MCULE-5364514636 [0,2,0,0,0,0|0,1,0]=3 2769 B7R0.7 COCC(O)CON MCULE-3159534337 [0,2,0,0,0,0|0,1,0]=3 2770 B7R0.7 CSCC(N)CCO MCULE-2899374338 [0,2,0,0,0,0|1,0,0]=3 2771 B7R0.7 CSCC(O)CNN MCULE-9232488868 [0,2,0,0,0,0|1,0,0]=3 2772 B7R0.7 N#CCC(O)CC#N MCULE-5474392704 [0,2,0,0,0,0|2,0,0]=4 2773 B7R0.7 OCCC(O)CCO MCULE-1162803524 [0,2,0,0,0,0|0,1,0]=3 2774 B7R0.10 C=CC(O)C(O)C=C MCULE-2505322919 [0,2,0,0,0,0|1,0,1]=4 2775 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [0,2,0,0,0,0|2,0,0]=4 2776 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [0,2,0,0,0,0|2,0,0]=4 2777 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,2,0,0,0,0|2,0,0]=4 2778 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [0,2,0,0,0,0|2,0,0]=4 2779 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [0,2,0,0,0,0|2,0,0]=4 2780 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [0,2,0,0,0,0|2,0,0]=4 2781 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [0,2,0,0,0,0|2,0,0]=4 2782 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [0,2,0,0,0,0|1,0,0]=3 2783 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [0,2,0,0,0,0|2,0,0]=4 2784 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|1,0,1]=4 2785 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,2,0,0,0,0|1,0,0]=3 2786 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,2,0,0,0,0|1,0,0]=3 2787 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [0,2,0,0,0,0|1,0,0]=3 2788 B7R0.10 CCN(C)C(C)CO MCULE-3647031998 [0,2,0,0,0,0|2,0,0]=4 2789 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [0,2,0,0,0,0|2,0,0]=4 2790 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [0,2,0,0,0,0|2,0,0]=4 2791 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [0,2,0,0,0,0|2,0,0]=4 2792 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|1,0,1]=4 2793 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|1,0,1]=4 2794 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [0,2,0,0,0,0|2,0,0]=4 2795 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [0,2,0,0,0,0|2,0,0]=4 2796 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [0,2,0,0,0,0|2,0,0]=4 2797 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [0,2,0,0,0,0|2,0,0]=4 2798 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [0,2,0,0,0,0|2,0,0]=4 2799 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|1,0,1]=4 2800 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|1,0,1]=4 2801 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|1,0,1]=4 2802 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|1,0,1]=4 2803 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|1,0,1]=4 2804 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|1,0,1]=4 2805 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|1,0,1]=4 2806 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|1,0,1]=4 2807 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|1,0,1]=4 2808 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|1,0,1]=4 2809 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|0,1,1]=4 2810 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|0,1,1]=4 2811 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|1,0,1]=4 2812 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|1,0,1]=4 2813 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|1,0,1]=4 2814 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|1,0,1]=4 2815 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|1,0,1]=4 2816 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|1,0,1]=4 2817 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|1,0,1]=4 2818 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|1,0,1]=4 2819 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|0,1,1]=4 2820 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|0,1,1]=4 2821 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|1,0,1]=4 2822 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|1,0,1]=4 2823 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|1,0,1]=4 2824 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|1,0,1]=4 2825 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|1,0,1]=4 2826 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|1,0,1]=4 2827 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|0,1,1]=4 2828 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|0,1,1]=4 2829 B7R0.10 COC(C)C(O)C#N MCULE-7134393596 [0,2,0,0,0,0|1,0,1]=4 2830 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [0,2,0,0,0,0|1,0,0]=3 2831 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [0,2,0,0,0,0|1,0,0]=3 2832 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [0,2,0,0,0,0|1,1,0]=4 2833 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|0,1,0]=3 2834 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|0,1,0]=3 2835 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|0,1,0]=3 2836 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|0,1,0]=3 2837 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,2,0,0,0,0|0,1,1]=4 2838 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|0,1,0]=3 2839 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|0,1,0]=3 2840 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|0,1,0]=3 2841 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|0,1,0]=3 2842 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|0,1,0]=3 2843 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|0,1,0]=3 2844 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|0,1,0]=3 2845 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [0,2,0,0,0,0|1,0,0]=3 2846 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [0,2,0,0,0,0|1,0,0]=3 2847 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [0,2,0,0,0,0|0,0,0]=2 2848 B7R0.10 OCC(Br)C(Br)CO MCULE-4593943249 [0,2,0,0,0,0|1,1,0]=4 2849 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [0,2,0,0,0,0|0,1,0]=3 2850 B7R0.10 OC[C@@H](Br)[C@H](Br)CO MCULE-7293448690 [0,2,0,0,0,0|1,1,0]=4 2851 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [0,2,0,0,0,0|0,1,0]=3 2852 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [0,2,0,0,0,0|0,1,0]=3 2853 B7R0.10 OC[C@@H](O)[C@H](S)CS MCULE-1423721945 [0,2,0,0,0,0|0,0,0]=2 2854 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [0,2,0,0,0,0|0,1,0]=3 2855 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [0,2,0,0,0,0|0,1,0]=3 2856 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [0,2,0,0,0,0|0,1,0]=3 2857 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [0,2,0,0,0,0|0,0,0]=2 2858 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [0,2,0,0,0,0|0,0,0]=2 2859 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [0,2,0,0,0,0|1,0,0]=3 2860 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [0,2,0,0,0,0|1,0,0]=3 2861 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [0,2,0,0,0,0|0,0,0]=2 2862 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [0,2,0,0,0,0|0,0,0]=2 2863 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [0,2,0,0,0,0|0,0,0]=2 2864 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [0,2,0,0,0,0|0,0,0]=2 2865 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [0,2,0,0,0,0|2,0,0]=4 2866 B7R0.11 C#CC(C)(O)COC MCULE-1647227373 [0,2,0,0,0,0|1,0,1]=4 2867 B7R0.11 C#CCC(C)(C)CO MCULE-6291879237 [0,2,0,0,0,0|2,0,0]=4 2868 B7R0.11 C#CCC(C)(O)CC MCULE-6426679594 [0,2,0,0,0,0|2,0,0]=4 2869 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [0,2,0,0,0,0|2,0,0]=4 2870 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [0,2,0,0,0,0|2,0,0]=4 2871 B7R0.11 C=CCC(F)(F)CO MCULE-7708161353 [0,2,0,0,0,0|2,0,0]=4 2872 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [0,2,0,0,0,0|2,0,0]=4 2873 B7R0.11 CC(C)(CO)CC#N MCULE-2362583171 [0,2,0,0,0,0|2,0,0]=4 2874 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [0,2,0,0,0,0|2,0,0]=4 2875 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [0,2,0,0,0,0|2,0,0]=4 2876 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [0,2,0,0,0,0|1,1,0]=4 2877 B7R0.11 CC(C)(CO)CNN MCULE-2193719969 [0,2,0,0,0,0|2,0,0]=4 2878 B7R0.11 CC(C)(CO)CNN MCULE-7849188244 [0,2,0,0,0,0|2,0,0]=4 2879 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [0,2,0,0,0,0|2,0,0]=4 2880 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [0,2,0,0,0,0|0,1,0]=3 2881 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [0,2,0,0,0,0|2,0,0]=4 2882 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [0,2,0,0,0,0|2,0,0]=4 2883 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [0,2,0,0,0,0|1,0,0]=3 2884 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [0,2,0,0,0,0|2,0,0]=4 2885 B7R0.11 CCCC(C)(O)CC MCULE-9155096022 [0,2,0,0,0,0|2,0,0]=4 2886 B7R0.11 CCCC(C)(O)CN MCULE-4716937953 [0,2,0,0,0,0|2,0,0]=4 2887 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [0,2,0,0,0,0|1,0,0]=3 2888 B7R0.11 CCNC(C)(C)CO MCULE-9120392867 [0,2,0,0,0,0|2,0,0]=4 2889 B7R0.11 CCNC(C)(C)CO MCULE-9465450982 [0,2,0,0,0,0|2,0,0]=4 2890 B7R0.11 CCOC(C)(C)CO MCULE-6294474255 [0,2,0,0,0,0|2,0,0]=4 2891 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [0,2,0,0,0,0|1,0,0]=3 2892 B7R0.11 CNCC(C)(C)CO MCULE-1912751262 [0,2,0,0,0,0|2,0,0]=4 2893 B7R0.11 CNCC(F)(F)CO MCULE-2629238823 [0,2,0,0,0,0|2,0,0]=4 2894 B7R0.11 COCC(C)(C)CBr MCULE-2591763859 [0,2,0,0,0,0|2,0,0]=4 2895 B7R0.11 COCC(C)(C)CN MCULE-6321252323 [0,2,0,0,0,0|2,0,0]=4 2896 B7R0.11 COCC(C)(C)CN MCULE-8662870324 [0,2,0,0,0,0|2,0,0]=4 2897 B7R0.11 COCC(C)(C)CO MCULE-2985367717 [0,2,0,0,0,0|1,1,0]=4 2898 B7R0.11 COCC(C)(N)CN MCULE-1467574919 [0,2,0,0,0,0|2,0,0]=4 2899 B7R0.11 COCC(C)(N)CO MCULE-2603485329 [0,2,0,0,0,0|1,1,0]=4 2900 B7R0.11 COCC(C)(N)CO MCULE-3416999559 [0,2,0,0,0,0|1,1,0]=4 2901 B7R0.11 COCC(C)(O)CN MCULE-8403551049 [0,2,0,0,0,0|1,0,0]=3 2902 B7R0.11 COCC(C)(O)CN MCULE-8479817538 [0,2,0,0,0,0|1,0,0]=3 2903 B7R0.11 COCC(F)(F)CO MCULE-7603400715 [0,2,0,0,0,0|1,1,0]=4 2904 B7R0.11 CSCC(C)(C)CO MCULE-4089291196 [0,2,0,0,0,0|1,0,0]=3 2905 B7R0.11 CSCC(C)(O)CN MCULE-7935135383 [0,2,0,0,0,0|1,0,0]=3 2906 B7R0.11 OCCC(F)(F)CO MCULE-9524877710 [0,2,0,0,0,0|1,1,0]=4 2907 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [0,2,0,0,0,0|1,0,0]=3 2908 B7R0.12 CCC(CC)CCO MCULE-1684491793 [0,2,0,0,0,0|2,0,0]=4 2909 B7R0.12 CCC(CC)CON MCULE-6366873843 [0,2,0,0,0,0|2,0,0]=4 2910 B7R0.12 CCC(CN)CCO MCULE-4612619767 [0,2,0,0,0,0|2,0,0]=4 2911 B7R0.12 CCC(CSC)NC MCULE-6079897043 [0,2,0,0,0,0|2,0,0]=4 2912 B7R0.12 CCCC(CN)OC MCULE-6456891707 [0,2,0,0,0,0|2,0,0]=4 2913 B7R0.12 CCCC(CO)CO MCULE-2372919180 [0,2,0,0,0,0|1,0,0]=3 2914 B7R0.12 CCCC(CO)OC MCULE-9427398002 [0,2,0,0,0,0|1,0,0]=3 2915 B7R0.12 CCNC(CC)CO MCULE-2240229411 [0,2,0,0,0,0|2,0,0]=4 2916 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [0,2,0,0,0,0|2,0,0]=4 2917 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [0,2,0,0,0,0|2,0,0]=4 2918 B7R0.12 CCOC(CC)CBr MCULE-9805591276 [0,2,0,0,0,0|2,0,0]=4 2919 B7R0.12 CCOC(CC)CN MCULE-3206225209 [0,2,0,0,0,0|2,0,0]=4 2920 B7R0.12 CCOC(CC)CN MCULE-9811140121 [0,2,0,0,0,0|2,0,0]=4 2921 B7R0.12 CCOC(CN)CN MCULE-8474624366 [0,2,0,0,0,0|2,0,0]=4 2922 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [0,2,0,0,0,0|1,0,0]=3 2923 B7R0.12 COC(CN)CCN MCULE-6044078562 [0,2,0,0,0,0|2,0,0]=4 2924 B7R0.12 COC(CO)CCN MCULE-1177905249 [0,2,0,0,0,0|1,0,0]=3 2925 B7R0.12 COC(CSC)OC MCULE-7367035915 [0,2,0,0,0,0|2,0,0]=4 2926 B7R0.12 COCC(C#N)OC MCULE-4608647789 [0,2,0,0,0,0|1,0,1]=4 2927 B7R0.12 COCC(CBr)OC MCULE-9551672317 [0,2,0,0,0,0|1,0,0]=3 2928 B7R0.12 COCC(CN)OC MCULE-4660699329 [0,2,0,0,0,0|1,0,0]=3 2929 B7R0.12 COCC(CO)OC MCULE-6775038884 [0,2,0,0,0,0|0,1,0]=3 2930 B7R0.12 COCC(OC)OC MCULE-1839791643 [0,2,0,0,0,0|2,0,0]=4 2931 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [0,2,0,0,0,0|0,1,0]=3 2932 B7R0.12 COC[C@H](CN)OC MCULE-7911151873 [0,2,0,0,0,0|1,0,0]=3 2933 B7R0.12 NCCC(CO)CO MCULE-7028267284 [0,2,0,0,0,0|1,0,0]=3 2934 B7R0.12 NCCC(CO)CO MCULE-8865812482 [0,2,0,0,0,0|1,0,0]=3 2935 B7R0.12 OCCC(CO)CO MCULE-7198799967 [0,2,0,0,0,0|0,1,0]=3 2936 B7R0.13 CC(C)(CO)C(F)F MCULE-5444524351 [0,2,0,0,0,0|2,0,0]=4 2937 B7R0.13 CC(C)C(C)(C)CO MCULE-1206498909 [0,2,0,0,0,0|2,0,0]=4 2938 B7R0.13 CC(C)C(C)(O)CN MCULE-2436598879 [0,2,0,0,0,0|2,0,0]=4 2939 B7R0.13 CC(C)C(C)(O)CO MCULE-7640109698 [0,2,0,0,0,0|1,0,0]=3 2940 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|1,0,1]=4 2941 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|1,0,1]=4 2942 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|1,0,1]=4 2943 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|1,0,1]=4 2944 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|0,1,1]=4 2945 B7R0.13 CC(O)C(C)(C)CN MCULE-2675460571 [0,2,0,0,0,0|2,0,0]=4 2946 B7R0.13 CC(O)C(C)(C)CO MCULE-1064066796 [0,2,0,0,0,0|1,1,0]=4 2947 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|1,0,1]=4 2948 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [0,2,0,0,0,0|1,0,0]=3 2949 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|1,0,1]=4 2950 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|1,0,1]=4 2951 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|1,0,1]=4 2952 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|1,0,1]=4 2953 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|1,0,1]=4 2954 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|1,0,1]=4 2955 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|1,0,1]=4 2956 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|1,0,1]=4 2957 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|1,0,1]=4 2958 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|1,0,1]=4 2959 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|1,0,1]=4 2960 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|1,0,1]=4 2961 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|1,0,1]=4 2962 B7R0.13 OCC(F)(F)C(F)F MCULE-7521368673 [0,2,0,0,0,0|2,0,0]=4 2963 B7R0.14 CC(C)(C)C(N)CO MCULE-7753244981 [0,2,0,0,0,0|2,0,0]=4 2964 B7R0.14 CC(C)(C)C(N)CO MCULE-8719256669 [0,2,0,0,0,0|2,0,0]=4 2965 B7R0.14 CC(C)(C)C(O)CBr MCULE-7385281890 [0,2,0,0,0,0|2,0,0]=4 2966 B7R0.14 CC(C)(C)C(O)CCl MCULE-2463075191 [0,2,0,0,0,0|2,0,0]=4 2967 B7R0.14 CC(C)(C)C(O)CN MCULE-1008278452 [0,2,0,0,0,0|2,0,0]=4 2968 B7R0.14 CC(C)(C)C(O)CO MCULE-2952507658 [0,2,0,0,0,0|1,0,0]=3 2969 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-3982110596 [0,2,0,0,0,0|2,0,0]=4 2970 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-5537283120 [0,2,0,0,0,0|2,0,0]=4 2971 B7R0.14 CC(C)(C)[C@@H](N)CO MCULE-9278147798 [0,2,0,0,0,0|2,0,0]=4 2972 B7R0.14 CC(C)(C)[C@H](N)CO MCULE-2023958874 [0,2,0,0,0,0|2,0,0]=4 2973 B7R0.14 CC(C)(C)[C@H](N)CO MCULE-6480065609 [0,2,0,0,0,0|2,0,0]=4 2974 B7R0.14 CC(C)(O)C(F)CN MCULE-4048927334 [0,2,0,0,0,0|2,0,0]=4 2975 B7R0.14 CC(C)(O)C(F)CN MCULE-5250059338 [0,2,0,0,0,0|2,0,0]=4 2976 B7R0.14 CC(C)(O)C(F)CN MCULE-6618174177 [0,2,0,0,0,0|2,0,0]=4 2977 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [0,2,0,0,0,0|1,0,0]=3 2978 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4206986361 [0,2,0,0,0,0|2,0,0]=4 2979 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4332950642 [0,2,0,0,0,0|2,0,0]=4 2980 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-5233683424 [0,2,0,0,0,0|2,0,0]=4 2981 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-9403366864 [0,2,0,0,0,0|2,0,0]=4 2982 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-3837695935 [0,2,0,0,0,0|2,0,0]=4 2983 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5691809916 [0,2,0,0,0,0|2,0,0]=4 2984 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5910344650 [0,2,0,0,0,0|2,0,0]=4 2985 B7R0.14 CC(CO)C(C)(C)C MCULE-7343676375 [0,2,0,0,0,0|2,0,0]=4 2986 B7R0.14 CC(CO)C(C)(C)O MCULE-8073024148 [0,2,0,0,0,0|1,1,0]=4 2987 B7R0.14 CC(CO)C(C)(F)F MCULE-3224311448 [0,2,0,0,0,0|2,0,0]=4 2988 B7R0.14 CC(CO)C(F)(F)F MCULE-9030047774 [0,2,0,0,0,0|2,0,0]=4 2989 B7R0.14 CCC(N)C(C)(C)O MCULE-2452246439 [0,2,0,0,0,0|2,0,0]=4 2990 B7R0.14 CCC(N)C(C)(C)O MCULE-3686970762 [0,2,0,0,0,0|2,0,0]=4 2991 B7R0.14 CCC(O)C(C)(C)C MCULE-4883174975 [0,2,0,0,0,0|2,0,0]=4 2992 B7R0.14 CCC(O)C(F)(F)F MCULE-5577033342 [0,2,0,0,0,0|2,0,0]=4 2993 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,2,0,0,0,0|2,0,0]=4 2994 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-2250873384 [0,2,0,0,0,0|2,0,0]=4 2995 B7R0.14 CC[C@@H](N)C(C)(C)O MCULE-7069208023 [0,2,0,0,0,0|2,0,0]=4 2996 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-6344226071 [0,2,0,0,0,0|2,0,0]=4 2997 B7R0.14 CC[C@H](N)C(C)(C)O MCULE-7677944024 [0,2,0,0,0,0|2,0,0]=4 2998 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-1478332547 [0,2,0,0,0,0|1,1,0]=4 2999 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-2286439441 [0,2,0,0,0,0|1,1,0]=4 3000 B7R0.14 C[C@@H](CO)C(F)(F)F MCULE-7511013445 [0,2,0,0,0,0|2,0,0]=4 3001 B7R0.14 NC(CO)C(F)(F)F MCULE-2641240928 [0,2,0,0,0,0|2,0,0]=4 3002 B7R0.14 NC(CO)C(F)(F)F MCULE-3260611956 [0,2,0,0,0,0|2,0,0]=4 3003 B7R0.14 NC(CO)C(F)(F)F MCULE-6521043262 [0,2,0,0,0,0|2,0,0]=4 3004 B7R0.14 NC(CO)C(F)(F)F MCULE-6855440763 [0,2,0,0,0,0|2,0,0]=4 3005 B7R0.14 NCC(O)C(F)(F)F MCULE-1607950451 [0,2,0,0,0,0|2,0,0]=4 3006 B7R0.14 NCC(O)C(F)(F)F MCULE-2018797814 [0,2,0,0,0,0|2,0,0]=4 3007 B7R0.14 NC[C@@H](O)C(F)(F)F MCULE-3352645894 [0,2,0,0,0,0|2,0,0]=4 3008 B7R0.14 NC[C@@H](O)C(F)(F)F MCULE-7102013559 [0,2,0,0,0,0|2,0,0]=4 3009 B7R0.14 NC[C@H](O)C(F)(F)F MCULE-3616374436 [0,2,0,0,0,0|2,0,0]=4 3010 B7R0.14 NC[C@H](O)C(F)(F)F MCULE-4817123641 [0,2,0,0,0,0|2,0,0]=4 3011 B7R0.14 NC[C@H](O)C(F)(F)F MCULE-5895319072 [0,2,0,0,0,0|2,0,0]=4 3012 B7R0.14 N[C@@H](CO)C(F)(F)F MCULE-1212649330 [0,2,0,0,0,0|2,0,0]=4 3013 B7R0.14 N[C@@H](CO)C(F)(F)F MCULE-2584311973 [0,2,0,0,0,0|2,0,0]=4 3014 B7R0.14 N[C@@H](CO)C(F)(F)F MCULE-4865641675 [0,2,0,0,0,0|2,0,0]=4 3015 B7R0.14 N[C@@H](CO)C(F)(F)F MCULE-9004262786 [0,2,0,0,0,0|2,0,0]=4 3016 B7R0.14 N[C@H](CO)C(F)(F)F MCULE-3648712449 [0,2,0,0,0,0|2,0,0]=4 3017 B7R0.14 N[C@H](CO)C(F)(F)F MCULE-4221707496 [0,2,0,0,0,0|2,0,0]=4 3018 B7R0.14 N[C@H](CO)C(F)(F)F MCULE-7828194741 [0,2,0,0,0,0|2,0,0]=4 3019 B7R0.14 N[C@H](CO)C(F)(F)F MCULE-8232441976 [0,2,0,0,0,0|2,0,0]=4 3020 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,2,0,0,0,0|2,0,0]=4 3021 B7R0.14 OC(CBr)C(F)(F)F MCULE-9731609559 [0,2,0,0,0,0|2,0,0]=4 3022 B7R0.14 OCC(Br)C(F)(F)F MCULE-4760023988 [0,2,0,0,0,0|2,0,0]=4 3023 B7R0.14 OCC(F)C(F)(F)F MCULE-4650557310 [0,2,0,0,0,0|2,0,0]=4 3024 B7R0.14 OCC(O)C(F)(F)F MCULE-7099011877 [0,2,0,0,0,0|1,0,0]=3 3025 B7R0.14 OC[C@@H](O)C(F)(F)F MCULE-1547382437 [0,2,0,0,0,0|1,0,0]=3 3026 B7R0.14 [NH3+]C(CO)C(C)(C)C MCULE-6310162573 [0,2,0,0,0,0|2,0,0]=4 3027 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|0,1,1]=4 3028 B7R0.15 CC(C)C(CN)CO MCULE-2517509906 [0,2,0,0,0,0|2,0,0]=4 3029 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [0,2,0,0,0,0|1,0,0]=3 3030 B7R0.15 CC(C)C(CO)ON MCULE-7037439016 [0,2,0,0,0,0|1,0,0]=3 3031 B7R0.15 CC(C)C(CO)ON MCULE-9325437885 [0,2,0,0,0,0|1,0,0]=3 3032 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [0,2,0,0,0,0|0,1,0]=3 3033 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|2,0,0]=4 3034 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [0,2,0,0,0,0|2,0,0]=4 3035 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|2,0,0]=4 3036 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|2,0,0]=4 3037 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|1,0,0]=3 3038 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|1,0,1]=4 3039 B7R0.15 CCC(CO)C(C)C MCULE-5089280337 [0,2,0,0,0,0|2,0,0]=4 3040 B7R0.15 CCC(CO)N(C)C MCULE-2812328375 [0,2,0,0,0,0|2,0,0]=4 3041 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|1,0,1]=4 3042 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|1,0,1]=4 3043 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|2,0,0]=4 3047 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|2,0,0]=4 3048 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|1,0,0]=3 3049 B7R0.15 CN(C)C(CN)CO MCULE-6987208473 [0,2,0,0,0,0|2,0,0]=4 3050 B7R0.15 CN(C)C(CO)CO MCULE-6589056011 [0,2,0,0,0,0|1,1,0]=4 3051 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|2,0,0]=4 3052 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|2,0,0]=4 3053 B7R0.15 CNC(CO)C(C)C MCULE-5445088789 [0,2,0,0,0,0|2,0,0]=4 3054 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|1,0,1]=4 3055 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|1,0,1]=4 3056 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|2,0,0]=4 3057 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|2,0,0]=4 3058 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|2,0,0]=4 3059 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|2,0,0]=4 3060 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|1,0,1]=4 3061 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|1,0,1]=4 3062 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|2,0,0]=4 3063 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|2,0,0]=4 3064 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,1]=4 3065 B7R0.15 COC(CBr)C(C)C MCULE-2169119261 [0,2,0,0,0,0|2,0,0]=4 3066 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,1]=4 3067 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,1]=4 3068 B7R0.15 COC(CN)C(C)C MCULE-9651783224 [0,2,0,0,0,0|2,0,0]=4 3069 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [0,2,0,0,0,0|1,0,0]=3 3070 B7R0.15 COC(CO)C(C)C MCULE-8695619177 [0,2,0,0,0,0|1,0,0]=3 3071 B7R0.15 COC(CO)C(C)N MCULE-9816044841 [0,2,0,0,0,0|1,0,0]=3 3072 B7R0.15 COC(OC)C(C)O MCULE-9058387582 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.15 COC(OC)[C@@H](C)O MCULE-2524252240 [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.15 COC(OC)[C@H](C)O MCULE-2577056762 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,1]=4 3076 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,1]=4 3077 B7R0.15 CO[C@@H](CO)C(C)C MCULE-3676351737 [0,2,0,0,0,0|1,0,0]=3 3078 B7R0.15 CO[C@H](CO)C(C)C MCULE-2189146072 [0,2,0,0,0,0|1,0,0]=3 3079 B7R0.15 CSC(CO)C(C)N MCULE-6491195363 [0,2,0,0,0,0|1,1,0]=4 3080 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|1,0,0]=3 3081 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|1,0,0]=3 3082 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|1,0,0]=3 3083 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|1,0,0]=3 3084 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|1,0,0]=3 3085 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|2,0,0]=4 3086 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|0,1,0]=3 3087 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|2,0,0]=4 3088 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [0,2,0,0,0,0|0,1,1]=4 3089 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|1,0,1]=4 3090 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|1,0,1]=4 3091 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|1,0,1]=4 3092 B7R0.16 CC(C)C(O)C(C)C MCULE-3471523029 [0,2,0,0,0,0|2,0,0]=4 3093 B7R0.16 CC(C)C(O)C(C)N MCULE-1856841813 [0,2,0,0,0,0|2,0,0]=4 3094 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|1,0,1]=4 3095 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|1,0,1]=4 3096 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|1,0,1]=4 3097 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|1,0,1]=4 3098 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|1,0,1]=4 3099 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|1,0,1]=4 3100 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|0,1,1]=4 3101 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|1,0,1]=4 3102 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|1,0,1]=4 3103 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,2,0,0,0,0|1,0,1]=4 3104 B7R0.16 OC(C(F)F)C(F)F MCULE-8815204625 [0,2,0,0,0,0|2,0,0]=4 3105 B7R0.18 C#CC(O)(CC)CC MCULE-1187697687 [0,2,0,0,0,0|2,0,0]=4 3106 B7R0.18 C=CC(C)(CC)CO MCULE-3218490864 [0,2,0,0,0,0|2,0,0]=4 3107 B7R0.18 CC(C=O)(CO)CO MCULE-2216366062 [0,2,0,0,0,0|0,1,1]=4 3108 B7R0.18 CC(CN)(CO)CO MCULE-8513833512 [0,2,0,0,0,0|1,0,0]=3 3109 B7R0.18 CC(CO)(CO)CBr MCULE-5696396166 [0,2,0,0,0,0|1,0,0]=3 3110 B7R0.18 CC(CO)(CO)CO MCULE-1228441837 [0,2,0,0,0,0|0,1,0]=3 3111 B7R0.18 CCC(C)(CN)CO MCULE-2703250369 [0,2,0,0,0,0|2,0,0]=4 3112 B7R0.18 CCC(C)(CN)OC MCULE-4472544393 [0,2,0,0,0,0|2,0,0]=4 3113 B7R0.18 CCC(C)(CO)CO MCULE-6918244309 [0,2,0,0,0,0|1,0,0]=3 3114 B7R0.18 CCC(C)(CO)OC MCULE-2048434225 [0,2,0,0,0,0|1,0,0]=3 3115 B7R0.18 CCC(N)(CC)CO MCULE-7822189565 [0,2,0,0,0,0|2,0,0]=4 3116 B7R0.18 CCC(N)(CO)CO MCULE-6627376273 [0,2,0,0,0,0|1,0,0]=3 3117 B7R0.18 CCC(O)(C#N)CC MCULE-8447790203 [0,2,0,0,0,0|2,0,0]=4 3118 B7R0.18 CCC(O)(CC)CC MCULE-8613720853 [0,2,0,0,0,0|2,0,0]=4 3119 B7R0.18 CCC(O)(CC)CN MCULE-7676729679 [0,2,0,0,0,0|2,0,0]=4 3120 B7R0.18 CCC(O)(CC)CO MCULE-5622837545 [0,2,0,0,0,0|1,0,0]=3 3121 B7R0.18 COC(C)(CN)CO MCULE-1091911796 [0,2,0,0,0,0|1,0,0]=3 3122 B7R0.18 COC(N)(CO)CO MCULE-3562349590 [0,2,0,0,0,0|0,1,0]=3 3123 B7R0.18 COC(N)(CO)CO MCULE-5361347592 [0,2,0,0,0,0|0,1,0]=3 3124 B7R0.18 NC(CO)(CO)CO MCULE-1491189847 [0,2,0,0,0,0|0,1,0]=3 3125 B7R0.18 NC(CO)(CO)CO MCULE-2267999286 [0,2,0,0,0,0|0,1,0]=3 3126 B7R0.18 NC(CO)(CO)CO MCULE-4100030243 [0,2,0,0,0,0|0,1,0]=3 3127 B7R0.18 NC(CO)(CO)CO MCULE-4852633554 [0,2,0,0,0,0|0,1,0]=3 3128 B7R0.18 NC(CO)(CO)CO MCULE-6369744326 [0,2,0,0,0,0|0,1,0]=3 3129 B7R0.18 NC(CO)(CO)CO MCULE-7300085951 [0,2,0,0,0,0|0,1,0]=3 3130 B7R0.18 NC(CO)(CO)CO MCULE-8252586319 [0,2,0,0,0,0|0,1,0]=3 3131 B7R0.18 NC(CO)(CO)CO MCULE-8592789920 [0,2,0,0,0,0|0,1,0]=3 3132 B7R0.18 NC(CO)(CO)CO MCULE-9200014500 [0,2,0,0,0,0|0,1,0]=3 3133 B7R0.18 [NH3+]C(CO)(CO)CO MCULE-6464912245 [0,2,0,0,0,0|0,1,0]=3 3134 B5R1.2 BrC1CCC1 MCULE-3713567804 [1,0,0,1,0,0|2,0,0]=4 3135 B5R1.2 BrC1CNC1 MCULE-4959282437 [1,0,0,1,0,0|2,0,0]=4 3136 B5R1.2 BrC1CNC1 MCULE-5635086924 [1,0,0,1,0,0|2,0,0]=4 3137 B5R1.2 BrC1CNC1 MCULE-7561312043 [1,0,0,1,0,0|2,0,0]=4 3138 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,1,0,0|1,0,0]=3 3139 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|1,0,1]=4 3140 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,1,0,0|2,0,0]=4 3141 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,1,0,0|2,0,0]=4 3142 B5R1.2 CC1CNC1 MCULE-3977066574 [1,0,0,1,0,0|2,0,0]=4 3143 B5R1.2 CC1CNC1 MCULE-7868611457 [1,0,0,1,0,0|2,0,0]=4 3144 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,1,0,0|2,0,0]=4 3145 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,1,0,0|2,0,0]=4 3146 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,1,0,0|2,0,0]=4 3147 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,1,0,0|2,0,0]=4 3148 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,1,0,0|2,0,0]=4 3149 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,1,0,0|2,0,0]=4 3150 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,1,0,0|2,0,0]=4 3151 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,1,0,0|2,0,0]=4 3152 B5R1.2 ClC1CCC1 MCULE-2602937313 [1,0,0,1,0,0|2,0,0]=4 3153 B5R1.2 ClC1CNC1 MCULE-2051705029 [1,0,0,1,0,0|2,0,0]=4 3154 B5R1.2 ClC1CNC1 MCULE-6678325694 [1,0,0,1,0,0|2,0,0]=4 3155 B5R1.2 ClC1COC1 MCULE-7266812470 [1,0,0,1,0,0|1,0,0]=3 3156 B5R1.2 FC1CNC1 MCULE-5746598794 [1,0,0,1,0,0|2,0,0]=4 3157 B5R1.2 FC1CNC1 MCULE-9427948721 [1,0,0,1,0,0|2,0,0]=4 3158 B5R1.2 FC1COC1 MCULE-7899811313 [1,0,0,1,0,0|1,0,0]=3 3159 B5R1.2 IC1CCC1 MCULE-3890796264 [1,0,0,1,0,0|2,0,0]=4 3160 B5R1.2 IC1CNC1 MCULE-5957681014 [1,0,0,1,0,0|2,0,0]=4 3161 B5R1.2 IC1CNC1 MCULE-7396587981 [1,0,0,1,0,0|2,0,0]=4 3162 B5R1.2 IC1COC1 MCULE-6736781201 [1,0,0,1,0,0|1,0,0]=3 3163 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,1,0,0|2,0,0]=4 3164 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,1,0,0|2,0,0]=4 3165 B5R1.2 NC1CNC1 MCULE-3069271350 [1,0,0,1,0,0|2,0,0]=4 3166 B5R1.2 NC1CNC1 MCULE-4785323807 [1,0,0,1,0,0|2,0,0]=4 3167 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,1,0,0|1,0,0]=3 3168 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,1,0,0|1,0,0]=3 3169 B5R1.2 NC1CSC1 MCULE-8155396913 [1,0,0,1,0,0|1,0,0]=3 3170 B5R1.2 NC1CSC1 MCULE-8463545676 [1,0,0,1,0,0|1,0,0]=3 3171 B5R1.2 NC1CSC1 MCULE-8920812656 [1,0,0,1,0,0|1,0,0]=3 3172 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|0,0,2]=4 3173 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|0,0,2]=4 3174 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,1,0,0|1,0,0]=3 3175 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,0]=3 3176 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,0]=3 3177 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,1,0,0|0,0,0]=2 3178 B5R1.2 OC1CSC1 MCULE-6759275460 [1,0,0,1,0,0|0,0,0]=2 3179 B5R1.2 SC1CCC1 MCULE-1779239394 [1,0,0,1,0,0|1,1,0]=4 3180 B5R1.2 SC1CNC1 MCULE-5823473779 [1,0,0,1,0,0|1,1,0]=4 3181 B5R1.2 SC1CNC1 MCULE-9002536698 [1,0,0,1,0,0|1,1,0]=4 3182 B5R1.2 SC1COC1 MCULE-2175099379 [1,0,0,1,0,0|0,1,0]=3 3183 B5R1.3 BrCC1CC1 MCULE-6057571576 [1,0,0,1,0,0|2,0,0]=4 3184 B5R1.3 BrCC1CO1 MCULE-1054784183 [1,0,0,1,0,0|1,0,0]=3 3185 B5R1.3 C1(CO1)CCl MCULE-2239256431 [1,0,0,1,0,0|1,0,0]=3 3186 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|1,0,1]=4 3187 B5R1.3 CCC1CO1 MCULE-4316722229 [1,0,0,1,0,0|1,0,0]=3 3188 B5R1.3 CCC1CO1 MCULE-8341828978 [1,0,0,1,0,0|1,0,0]=3 3189 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [1,0,0,1,0,0|1,0,0]=3 3190 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [1,0,0,1,0,0|1,0,0]=3 3191 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [1,0,0,1,0,0|1,0,0]=3 3192 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [1,0,0,1,0,0|1,0,0]=3 3193 B5R1.3 ClCC1CC1 MCULE-3906493674 [1,0,0,1,0,0|2,0,0]=4 3194 B5R1.3 ClCC1CO1 MCULE-9759519789 [1,0,0,1,0,0|1,0,0]=3 3195 B5R1.3 ClCC1CS1 MCULE-7368175691 [1,0,0,1,0,0|1,1,0]=4 3196 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [1,0,0,1,0,0|1,0,0]=3 3197 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [1,0,0,1,0,0|1,0,0]=3 3198 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [1,0,0,1,0,0|1,0,0]=3 3199 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [1,0,0,1,0,0|1,0,0]=3 3200 B5R1.3 FCC1CO1 MCULE-6156138745 [1,0,0,1,0,0|1,0,0]=3 3201 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [1,0,0,1,0,0|1,0,0]=3 3202 B5R1.3 ICC1CC1 MCULE-2390979991 [1,0,0,1,0,0|2,0,0]=4 3203 B5R1.3 ICC1CO1 MCULE-6993621560 [1,0,0,1,0,0|1,0,0]=3 3204 B5R1.3 NCC1CC1 MCULE-5832294538 [1,0,0,1,0,0|2,0,0]=4 3205 B5R1.3 NCC1CC1 MCULE-9914994928 [1,0,0,1,0,0|2,0,0]=4 3206 B5R1.3 OCC1CC1 MCULE-4492474357 [1,0,0,1,0,0|1,0,0]=3 3207 B5R1.3 OCC1CO1 MCULE-2158628585 [1,0,0,1,0,0|0,0,0]=2 3208 B5R1.3 OCC1CO1 MCULE-4063620133 [1,0,0,1,0,0|0,0,0]=2 3209 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [1,0,0,1,0,0|0,0,0]=2 3210 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [1,0,0,1,0,0|0,0,0]=2 3211 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [1,0,0,1,0,0|0,0,0]=2 3212 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [1,0,0,1,0,0|0,0,0]=2 3213 B5R1.3 SCC1CC1 MCULE-9557919804 [1,0,0,1,0,0|1,0,0]=3 3214 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|1,0,1]=4 3215 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|1,0,1]=4 3216 B5R1.4 CC1CC1N MCULE-4472318973 [1,0,0,1,0,0|2,0,0]=4 3217 B5R1.4 CC1CC1N MCULE-8037315228 [1,0,0,1,0,0|2,0,0]=4 3218 B5R1.4 CC1CC1O MCULE-2006758475 [1,0,0,1,0,0|1,0,0]=3 3219 B5R1.4 CC1OC1C MCULE-9780363671 [1,0,0,1,0,0|1,0,0]=3 3220 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [1,0,0,1,0,0|2,0,0]=4 3221 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [1,0,0,1,0,0|2,0,0]=4 3222 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [1,0,0,1,0,0|2,0,0]=4 3223 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [1,0,0,1,0,0|2,0,0]=4 3224 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [1,0,0,1,0,0|2,0,0]=4 3225 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,0,0,1,0,0|1,0,0]=3 3226 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,0,0,1,0,0|1,0,0]=3 3227 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [1,0,0,1,0,0|2,0,0]=4 3228 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [1,0,0,1,0,0|2,0,0]=4 3229 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [1,0,0,1,0,0|2,0,0]=4 3230 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [1,0,0,1,0,0|2,0,0]=4 3231 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,0,0,1,0,0|1,0,0]=3 3232 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,0,0,1,0,0|1,0,0]=3 3233 B5R1.4 FC1CC1Br MCULE-9881614971 [1,0,0,1,0,0|2,0,0]=4 3234 B5R1.4 NC1CC1F MCULE-8246845073 [1,0,0,1,0,0|2,0,0]=4 3235 B5R1.4 NC1CC1F MCULE-9705431616 [1,0,0,1,0,0|2,0,0]=4 3236 B5R1.4 NC1CC1N MCULE-2596247889 [1,0,0,1,0,0|2,0,0]=4 3237 B5R1.4 NC1CC1N MCULE-7859500244 [1,0,0,1,0,0|2,0,0]=4 3238 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,0]=3 3239 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,0]=3 3240 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [1,0,0,1,0,0|2,0,0]=4 3241 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [1,0,0,1,0,0|2,0,0]=4 3242 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [1,0,0,1,0,0|2,0,0]=4 3243 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [1,0,0,1,0,0|2,0,0]=4 3244 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [1,0,0,1,0,0|2,0,0]=4 3245 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [1,0,0,1,0,0|2,0,0]=4 3246 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,0]=3 3247 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [1,0,0,1,0,0|2,0,0]=4 3248 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [1,0,0,1,0,0|2,0,0]=4 3249 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [1,0,0,1,0,0|2,0,0]=4 3250 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [1,0,0,1,0,0|2,0,0]=4 3251 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [1,0,0,1,0,0|2,0,0]=4 3252 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [1,0,0,1,0,0|2,0,0]=4 3253 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [1,0,0,1,0,0|2,0,0]=4 3254 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [1,0,0,1,0,0|2,0,0]=4 3255 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,0]=3 3256 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,0]=3 3257 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [1,0,0,1,0,0|2,0,0]=4 3258 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [1,0,0,1,0,0|2,0,0]=4 3259 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [1,0,0,1,0,0|2,0,0]=4 3260 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [1,0,0,1,0,0|2,0,0]=4 3261 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [1,0,0,1,0,0|2,0,0]=4 3262 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [1,0,0,1,0,0|2,0,0]=4 3263 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [1,0,0,1,0,0|2,0,0]=4 3264 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,0]=3 3265 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [1,0,0,1,0,0|2,0,0]=4 3266 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [1,0,0,1,0,0|2,0,0]=4 3267 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [1,0,0,1,0,0|2,0,0]=4 3268 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [1,0,0,1,0,0|2,0,0]=4 3269 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [1,0,0,1,0,0|2,0,0]=4 3270 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [1,0,0,1,0,0|2,0,0]=4 3271 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,0]=3 3272 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,0]=3 3273 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [1,0,0,1,0,0|2,0,0]=4 3274 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [1,0,0,1,0,0|2,0,0]=4 3275 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [1,0,0,1,0,0|2,0,0]=4 3276 B5R1.5 CC1(CC1)Br MCULE-7741990197 [1,0,0,1,0,0|2,0,0]=4 3277 B5R1.5 CC1(CC1)N MCULE-5669720871 [1,0,0,1,0,0|2,0,0]=4 3278 B5R1.5 CC1(CC1)N MCULE-6964629714 [1,0,0,1,0,0|2,0,0]=4 3279 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,0,0,1,0,0|1,0,0]=3 3280 B5R1.5 CC1(CN1)C MCULE-8452595493 [1,0,0,1,0,0|2,0,0]=4 3281 B5R1.5 CC1(CO1)C MCULE-4247049920 [1,0,0,1,0,0|1,0,0]=3 3282 B5R1.5 CC1(CS1)C MCULE-7579931452 [1,0,0,1,0,0|1,0,0]=3 3283 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|2,0,0]=4 3284 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|2,0,0]=4 3285 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,1,0,0|1,1,0]=4 3286 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|2,0,0]=4 3287 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|1,0,1]=4 3288 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,1,0,0|2,0,0]=4 3289 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,1,0,0|2,0,0]=4 3290 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,1,0,0|2,0,0]=4 3291 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,1,0,0|2,0,0]=4 3292 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,1,0,0|1,0,0]=3 3293 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,1,0,0|1,0,0]=3 3294 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,1,0,0|2,0,0]=4 3295 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,1,0,0|2,0,0]=4 3296 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|1,0,0]=3 3297 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|1,0,0]=3 3298 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,1,0,0|2,0,0]=4 3299 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,1,0,0|2,0,0]=4 3300 B5R1.1 C1CSCN1 MCULE-1445529876 [1,0,0,1,0,0|2,0,0]=4 3301 B5R1.1 C1CSCN1 MCULE-8646299838 [1,0,0,1,0,0|2,0,0]=4 3302 B5R1.1 C1CSCS1 MCULE-2954642463 [1,0,0,1,0,0|2,0,0]=4 3303 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [0,1,0,1,0,0|2,0,0]=4 3304 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [0,1,0,1,0,0|2,0,0]=4 3305 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [0,1,0,1,0,0|2,0,0]=4 3306 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [0,1,0,1,0,0|2,0,0]=4 3307 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [0,1,0,1,0,0|2,0,0]=4 3308 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [0,1,0,1,0,0|2,0,0]=4 3309 B7R1.1 C#CC1CCOC1 MCULE-6007232344 [0,1,0,1,0,0|2,0,0]=4 3310 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [0,1,0,1,0,0|2,0,0]=4 3311 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [0,1,0,1,0,0|2,0,0]=4 3312 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [0,1,0,1,0,0|2,0,0]=4 3313 B7R1.1 C1(CCNC1)OC MCULE-4107032989 [0,1,0,1,0,0|2,0,0]=4 3314 B7R1.1 C1(CCNC1)OC MCULE-7879953493 [0,1,0,1,0,0|2,0,0]=4 3315 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [0,1,0,1,0,0|2,0,0]=4 3316 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [0,1,0,1,0,0|2,0,0]=4 3317 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [0,1,0,1,0,0|1,0,0]=3 3318 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [0,1,0,1,0,0|2,0,0]=4 3319 B7R1.1 CCC1OCCO1 MCULE-3434568584 [0,1,0,1,0,0|2,0,0]=4 3320 B7R1.1 CNC1CCOC1 MCULE-5628928593 [0,1,0,1,0,0|2,0,0]=4 3321 B7R1.1 CNC1CCOC1 MCULE-7465078745 [0,1,0,1,0,0|2,0,0]=4 3322 B7R1.1 CNC1CCOC1 MCULE-8928979869 [0,1,0,1,0,0|2,0,0]=4 3323 B7R1.1 CNC1CCSC1 MCULE-1603222229 [0,1,0,1,0,0|2,0,0]=4 3324 B7R1.1 CNC1CCSC1 MCULE-5376977039 [0,1,0,1,0,0|2,0,0]=4 3325 B7R1.1 CNC1CCSC1 MCULE-9789640029 [0,1,0,1,0,0|2,0,0]=4 3326 B7R1.1 CNC1CSSC1 MCULE-4275371555 [0,1,0,1,0,0|1,1,0]=4 3327 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [0,1,0,1,0,0|2,0,0]=4 3328 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [0,1,0,1,0,0|2,0,0]=4 3329 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [0,1,0,1,0,0|2,0,0]=4 3330 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [0,1,0,1,0,0|2,0,0]=4 3331 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [0,1,0,1,0,0|2,0,0]=4 3332 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [0,1,0,1,0,0|2,0,0]=4 3333 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [0,1,0,1,0,0|2,0,0]=4 3334 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [0,1,0,1,0,0|2,0,0]=4 3335 B7R1.1 COC1CC=CC1 MCULE-3537302351 [0,1,0,1,0,0|2,0,0]=4 3336 B7R1.1 COC1CCCC1 MCULE-7539347010 [0,1,0,1,0,0|2,0,0]=4 3337 B7R1.1 COC1CCNC1 MCULE-1194889067 [0,1,0,1,0,0|2,0,0]=4 3338 B7R1.1 COC1CCNC1 MCULE-2551543855 [0,1,0,1,0,0|2,0,0]=4 3339 B7R1.1 COC1CNOC1 MCULE-1407072401 [0,1,0,1,0,0|1,0,0]=3 3340 B7R1.1 COC1CNOC1 MCULE-3670243548 [0,1,0,1,0,0|1,0,0]=3 3341 B7R1.1 CO[C@@H]1CCNC1 MCULE-1457133388 [0,1,0,1,0,0|2,0,0]=4 3342 B7R1.1 CO[C@@H]1CCNC1 MCULE-5592053485 [0,1,0,1,0,0|2,0,0]=4 3343 B7R1.1 CO[C@@H]1CCNC1 MCULE-9586958523 [0,1,0,1,0,0|2,0,0]=4 3344 B7R1.1 CO[C@@H]1CCNC1 MCULE-9627985971 [0,1,0,1,0,0|2,0,0]=4 3345 B7R1.1 CO[C@H]1CCNC1 MCULE-4011037765 [0,1,0,1,0,0|2,0,0]=4 3346 B7R1.1 CO[C@H]1CCNC1 MCULE-6371005292 [0,1,0,1,0,0|2,0,0]=4 3347 B7R1.1 CO[C@H]1CCNC1 MCULE-6820243921 [0,1,0,1,0,0|2,0,0]=4 3348 B7R1.1 CO[C@H]1CCNC1 MCULE-9345557765 [0,1,0,1,0,0|2,0,0]=4 3349 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [0,1,0,1,0,0|2,0,0]=4 3350 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [0,1,0,1,0,0|2,0,0]=4 3351 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [0,1,0,1,0,0|2,0,0]=4 3352 B7R1.1 ICC1CCCO1 MCULE-3981288245 [0,1,0,1,0,0|2,0,0]=4 3353 B7R1.1 ICC1CCOC1 MCULE-2014671156 [0,1,0,1,0,0|2,0,0]=4 3354 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [0,1,0,1,0,0|2,0,0]=4 3355 B7R1.1 N#CC1CCOC1 MCULE-5555423051 [0,1,0,1,0,0|2,0,0]=4 3356 B7R1.1 N#CC1CCSC1 MCULE-6188837269 [0,1,0,1,0,0|2,0,0]=4 3357 B7R1.1 N#C[C@@H]1CCOC1 MCULE-4697885787 [0,1,0,1,0,0|2,0,0]=4 3358 B7R1.1 N#C[C@@H]1CCOC1 MCULE-7073460204 [0,1,0,1,0,0|2,0,0]=4 3359 B7R1.1 N#C[C@H]1CCOC1 MCULE-6745266026 [0,1,0,1,0,0|2,0,0]=4 3360 B7R1.1 N#C[C@H]1CCOC1 MCULE-6946151061 [0,1,0,1,0,0|2,0,0]=4 3361 B7R1.1 NCC1CCCO1 MCULE-2797516262 [0,1,0,1,0,0|2,0,0]=4 3362 B7R1.1 NCC1CCCO1 MCULE-5970677903 [0,1,0,1,0,0|2,0,0]=4 3363 B7R1.1 NCC1CCCO1 MCULE-6166235034 [0,1,0,1,0,0|2,0,0]=4 3364 B7R1.1 NCC1CCOC1 MCULE-4208746127 [0,1,0,1,0,0|2,0,0]=4 3365 B7R1.1 NCC1CCOC1 MCULE-6540410947 [0,1,0,1,0,0|2,0,0]=4 3366 B7R1.1 NCC1CCSC1 MCULE-6868901477 [0,1,0,1,0,0|2,0,0]=4 3367 B7R1.1 NCC1COCO1 MCULE-1657884847 [0,1,0,1,0,0|1,0,0]=3 3368 B7R1.1 NCC1COCO1 MCULE-9310217083 [0,1,0,1,0,0|1,0,0]=3 3369 B7R1.1 NCC1OCCO1 MCULE-4813269641 [0,1,0,1,0,0|2,0,0]=4 3370 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [0,1,0,1,0,0|2,0,0]=4 3371 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [0,1,0,1,0,0|2,0,0]=4 3372 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [0,1,0,1,0,0|2,0,0]=4 3373 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [0,1,0,1,0,0|2,0,0]=4 3374 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [0,1,0,1,0,0|2,0,0]=4 3375 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [0,1,0,1,0,0|2,0,0]=4 3376 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [0,1,0,1,0,0|2,0,0]=4 3377 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [0,1,0,1,0,0|2,0,0]=4 3378 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [0,1,0,1,0,0|2,0,0]=4 3379 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [0,1,0,1,0,0|2,0,0]=4 3380 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [0,1,0,1,0,0|2,0,0]=4 3381 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [0,1,0,1,0,0|2,0,0]=4 3382 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [0,1,0,1,0,0|2,0,0]=4 3383 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [0,1,0,1,0,0|2,0,0]=4 3384 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [0,1,0,1,0,0|2,0,0]=4 3385 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [0,1,0,1,0,0|2,0,0]=4 3386 B7R1.1 NNC1CCOC1 MCULE-5497635104 [0,1,0,1,0,0|2,0,0]=4 3387 B7R1.1 NNC1CCOC1 MCULE-9086625827 [0,1,0,1,0,0|2,0,0]=4 3388 B7R1.1 NNC1CCOC1 MCULE-9696991785 [0,1,0,1,0,0|2,0,0]=4 3389 B7R1.1 NNC1CCSC1 MCULE-2826177760 [0,1,0,1,0,0|2,0,0]=4 3390 B7R1.1 NNC1CCSC1 MCULE-3433599716 [0,1,0,1,0,0|2,0,0]=4 3391 B7R1.1 NN[C@@H]1CCOC1 MCULE-5277138269 [0,1,0,1,0,0|2,0,0]=4 3392 B7R1.1 NN[C@@H]1CCOC1 MCULE-5921785384 [0,1,0,1,0,0|2,0,0]=4 3393 B7R1.1 NN[C@@H]1CCOC1 MCULE-7398479477 [0,1,0,1,0,0|2,0,0]=4 3394 B7R1.1 NN[C@@H]1CCOC1 MCULE-9971593238 [0,1,0,1,0,0|2,0,0]=4 3395 B7R1.1 NN[C@H]1CCOC1 MCULE-2032105408 [0,1,0,1,0,0|2,0,0]=4 3396 B7R1.1 NN[C@H]1CCOC1 MCULE-4857620237 [0,1,0,1,0,0|2,0,0]=4 3397 B7R1.1 NN[C@H]1CCOC1 MCULE-5796183363 [0,1,0,1,0,0|2,0,0]=4 3398 B7R1.1 NN[C@H]1CCOC1 MCULE-8921088992 [0,1,0,1,0,0|2,0,0]=4 3399 B7R1.1 NOC1CCCC1 MCULE-1504814106 [0,1,0,1,0,0|2,0,0]=4 3400 B7R1.1 NOC1CCCC1 MCULE-1973418119 [0,1,0,1,0,0|2,0,0]=4 3401 B7R1.1 NOC1CCOC1 MCULE-1016688849 [0,1,0,1,0,0|1,0,0]=3 3402 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,1,0,1,0,0|1,0,1]=4 3403 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [0,1,0,1,0,0|1,0,1]=4 3404 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,1,0,1,0,0|1,0,1]=4 3405 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,1,0,1,0,0|1,0,1]=4 3406 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,1,0,1,0,0|1,0,1]=4 3407 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,1,0,1,0,0|2,0,0]=4 3408 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,1,0,1,0,0|2,0,0]=4 3409 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,1,0,1,0,0|2,0,0]=4 3410 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [0,1,0,1,0,0|2,0,0]=4 3411 B7R1.1 OCC1CCCC1 MCULE-2985338933 [0,1,0,1,0,0|2,0,0]=4 3412 B7R1.1 OCC1CCCN1 MCULE-1016922679 [0,1,0,1,0,0|2,0,0]=4 3413 B7R1.1 OCC1CCCN1 MCULE-8224535891 [0,1,0,1,0,0|2,0,0]=4 3414 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,1,0,1,0,0|1,0,0]=3 3415 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,1,0,1,0,0|1,0,0]=3 3416 B7R1.1 OCC1CCCS1 MCULE-6106081414 [0,1,0,1,0,0|1,1,0]=4 3417 B7R1.1 OCC1CCNC1 MCULE-7883947611 [0,1,0,1,0,0|2,0,0]=4 3418 B7R1.1 OCC1CCNC1 MCULE-9689521155 [0,1,0,1,0,0|2,0,0]=4 3419 B7R1.1 OCC1CCOC1 MCULE-8926405046 [0,1,0,1,0,0|1,0,0]=3 3420 B7R1.1 OCC1CCON1 MCULE-1199975481 [0,1,0,1,0,0|1,0,0]=3 3421 B7R1.1 OCC1CCON1 MCULE-4772487016 [0,1,0,1,0,0|1,0,0]=3 3422 B7R1.1 OCC1CCSC1 MCULE-2226132734 [0,1,0,1,0,0|1,0,0]=3 3423 B7R1.1 OCC1COCO1 MCULE-3470022742 [0,1,0,1,0,0|0,1,0]=3 3424 B7R1.1 OCC1OCCO1 MCULE-8334027179 [0,1,0,1,0,0|1,0,0]=3 3425 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [0,1,0,1,0,0|2,0,0]=4 3426 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [0,1,0,1,0,0|2,0,0]=4 3427 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [0,1,0,1,0,0|2,0,0]=4 3428 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [0,1,0,1,0,0|2,0,0]=4 3429 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,1,0,1,0,0|1,0,0]=3 3430 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,1,0,1,0,0|1,0,0]=3 3431 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [0,1,0,1,0,0|2,0,0]=4 3432 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [0,1,0,1,0,0|2,0,0]=4 3433 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [0,1,0,1,0,0|2,0,0]=4 3434 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [0,1,0,1,0,0|2,0,0]=4 3435 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [0,1,0,1,0,0|1,0,0]=3 3436 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [0,1,0,1,0,0|1,0,0]=3 3437 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [0,1,0,1,0,0|2,0,0]=4 3438 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [0,1,0,1,0,0|2,0,0]=4 3439 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [0,1,0,1,0,0|2,0,0]=4 3440 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [0,1,0,1,0,0|2,0,0]=4 3441 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,1,0,1,0,0|1,0,0]=3 3442 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,1,0,1,0,0|1,0,0]=3 3443 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [0,1,0,1,0,0|2,0,0]=4 3444 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [0,1,0,1,0,0|2,0,0]=4 3445 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [0,1,0,1,0,0|2,0,0]=4 3446 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [0,1,0,1,0,0|2,0,0]=4 3447 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [0,1,0,1,0,0|1,0,0]=3 3448 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [0,1,0,1,0,0|1,0,0]=3 3449 B7R1.1 ONC1CCCC1 MCULE-1143510043 [0,1,0,1,0,0|2,0,0]=4 3450 B7R1.1 ONC1CCCC1 MCULE-7548854169 [0,1,0,1,0,0|2,0,0]=4 3451 B7R1.1 SCC1CCCC1 MCULE-7973872166 [0,1,0,1,0,0|2,0,0]=4 3452 B7R1.1 SCC1CCCO1 MCULE-5962232488 [0,1,0,1,0,0|1,0,0]=3 3453 B7R1.1 SCC1CCOC1 MCULE-4504314486 [0,1,0,1,0,0|1,0,0]=3 3454 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,1,0,1,0,0|2,0,0]=4 3455 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|1,0,1]=4 3456 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,1,0,1,0,0|2,0,0]=4 3457 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,1,0,1,0,0|2,0,0]=4 3458 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,1,0,1,0,0|2,0,0]=4 3459 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,1,0,1,0,0|2,0,0]=4 3460 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,1,0,1,0,0|1,0,0]=3 3461 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,1,0,1,0,0|2,0,0]=4 3462 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,1,0,1,0,0|2,0,0]=4 3463 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|1,1,0]=4 3464 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,1,0,1,0,0|2,0,0]=4 3465 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,1,0,1,0,0|2,0,0]=4 3466 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,1,0,1,0,0|2,0,0]=4 3467 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,1,0,1,0,0|2,0,0]=4 3468 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,1,0,1,0,0|2,0,0]=4 3469 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,1,0,1,0,0|2,0,0]=4 3470 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|1,1,0]=4 3471 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|1,1,0]=4 3472 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,1,0,1,0,0|2,0,0]=4 3473 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,1,0,1,0,0|2,0,0]=4 3474 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,1,0,1,0,0|2,0,0]=4 3475 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,1,0,1,0,0|2,0,0]=4 3476 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,1,0,1,0,0|2,0,0]=4 3477 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,1,0,1,0,0|2,0,0]=4 3478 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,1,0,1,0,0|2,0,0]=4 3479 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,1,0,1,0,0|2,0,0]=4 3480 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|1,1,0]=4 3481 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,1,0,1,0,0|2,0,0]=4 3482 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,1,0,1,0,0|2,0,0]=4 3483 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,1,0,1,0,0|2,0,0]=4 3484 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,1,0,1,0,0|2,0,0]=4 3485 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,1,0,1,0,0|2,0,0]=4 3486 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,1,0,1,0,0|2,0,0]=4 3487 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,1,0,1,0,0|2,0,0]=4 3488 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,1,0,1,0,0|2,0,0]=4 3489 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,1,0,1,0,0|2,0,0]=4 3490 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,1,0,1,0,0|2,0,0]=4 3491 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|1,1,0]=4 3492 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|1,1,0]=4 3493 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|1,1,0]=4 3494 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|1,1,0]=4 3495 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,1,0,1,0,0|2,0,0]=4 3496 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,1,0,1,0,0|2,0,0]=4 3497 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,1,0,1,0,0|2,0,0]=4 3498 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,1,0,1,0,0|2,0,0]=4 3499 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,1,0,1,0,0|2,0,0]=4 3500 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,1,0,1,0,0|2,0,0]=4 3501 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,1,0,1,0,0|2,0,0]=4 3502 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,1,0,1,0,0|2,0,0]=4 3503 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,1,0,1,0,0|2,0,0]=4 3504 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,1,0,1,0,0|2,0,0]=4 3505 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|1,1,0]=4 3506 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|1,1,0]=4 3507 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|1,1,0]=4 3508 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|1,1,0]=4 3509 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,1,0,1,0,0|2,0,0]=4 3510 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,1,0,1,0,0|2,0,0]=4 3511 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,1,0,1,0,0|2,0,0]=4 3512 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,1,0,1,0,0|2,0,0]=4 3513 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,1,0,1,0,0|2,0,0]=4 3514 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,1,0,1,0,0|2,0,0]=4 3515 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,1,0,1,0,0|2,0,0]=4 3516 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,1,0,1,0,0|2,0,0]=4 3517 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,1,0,1,0,0|2,0,0]=4 3518 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,1,0,1,0,0|2,0,0]=4 3519 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|1,1,0]=4 3520 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|1,1,0]=4 3521 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|1,1,0]=4 3522 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|1,1,0]=4 3523 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|1,0,1]=4 3524 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|0,1,0]=3 3525 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|0,1,0]=3 3526 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,1,0,0|1,0,1]=4 3527 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|1,0,1]=4 3528 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|1,0,1]=4 3529 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|0,1,0]=3 3530 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|0,1,0]=3 3531 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|1,0,1]=4 3532 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|1,0,1]=4 3533 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|0,1,0]=3 3534 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|0,1,0]=3 3535 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,1,0,0|1,0,1]=4 3536 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,1,0,1,0,0|1,0,0]=3 3537 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,1,0,1,0,0|1,0,0]=3 3538 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,1,0,0|1,0,1]=4 3539 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,1,0,1,0,0|1,0,0]=3 3540 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,1,0,1,0,0|1,0,0]=3 3541 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,1,0,1,0,0|1,0,0]=3 3542 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,1,0,1,0,0|2,0,0]=4 3543 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,1,0,1,0,0|2,0,0]=4 3544 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,1,0,1,0,0|1,0,0]=3 3545 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,1,0,1,0,0|2,0,0]=4 3546 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,1,0,1,0,0|2,0,0]=4 3547 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,1,0,1,0,0|2,0,0]=4 3548 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,1,0,1,0,0|2,0,0]=4 3549 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [0,1,0,1,0,0|2,0,0]=4 3550 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [0,1,0,1,0,0|2,0,0]=4 3551 B7R1.3 BrC1CCSCC1 MCULE-1239956252 [0,1,0,1,0,0|2,0,0]=4 3552 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [0,1,0,1,0,0|2,0,0]=4 3553 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [0,1,0,1,0,0|2,0,0]=4 3554 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [0,1,0,1,0,0|2,0,0]=4 3555 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [0,1,0,1,0,0|2,0,0]=4 3556 B7R1.3 CC1CCOCC1 MCULE-8623581625 [0,1,0,1,0,0|2,0,0]=4 3557 B7R1.3 CC1CCOCN1 MCULE-5420262342 [0,1,0,1,0,0|2,0,0]=4 3558 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,1,0,1,0,0|2,0,0]=4 3559 B7R1.3 CC1COCCN1 MCULE-1305824409 [0,1,0,1,0,0|2,0,0]=4 3560 B7R1.3 CC1COCCN1 MCULE-4570632464 [0,1,0,1,0,0|2,0,0]=4 3561 B7R1.3 CC1COCCN1 MCULE-6275555682 [0,1,0,1,0,0|2,0,0]=4 3562 B7R1.3 CC1COCCN1 MCULE-8711024794 [0,1,0,1,0,0|2,0,0]=4 3563 B7R1.3 CC1CSCCN1 MCULE-2923436126 [0,1,0,1,0,0|2,0,0]=4 3564 B7R1.3 C[C@@H]1COCCN1 MCULE-2750151013 [0,1,0,1,0,0|2,0,0]=4 3565 B7R1.3 C[C@@H]1COCCN1 MCULE-4003273424 [0,1,0,1,0,0|2,0,0]=4 3566 B7R1.3 C[C@@H]1COCCN1 MCULE-4627627990 [0,1,0,1,0,0|2,0,0]=4 3567 B7R1.3 C[C@@H]1COCCN1 MCULE-8600287111 [0,1,0,1,0,0|2,0,0]=4 3568 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [0,1,0,1,0,0|2,0,0]=4 3569 B7R1.3 C[C@H]1COCCN1 MCULE-1467834624 [0,1,0,1,0,0|2,0,0]=4 3570 B7R1.3 C[C@H]1COCCN1 MCULE-3486079226 [0,1,0,1,0,0|2,0,0]=4 3571 B7R1.3 C[C@H]1COCCN1 MCULE-5726525044 [0,1,0,1,0,0|2,0,0]=4 3572 B7R1.3 C[C@H]1COCCN1 MCULE-9977133603 [0,1,0,1,0,0|2,0,0]=4 3573 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [0,1,0,1,0,0|2,0,0]=4 3574 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [0,1,0,1,0,0|2,0,0]=4 3575 B7R1.3 ClC1CCOCC1 MCULE-5672440693 [0,1,0,1,0,0|2,0,0]=4 3576 B7R1.3 FC1CCCOC1 MCULE-9003204358 [0,1,0,1,0,0|2,0,0]=4 3577 B7R1.3 IC1CCOCC1 MCULE-7226892860 [0,1,0,1,0,0|2,0,0]=4 3578 B7R1.3 IC1CCSCC1 MCULE-6684613275 [0,1,0,1,0,0|2,0,0]=4 3579 B7R1.3 NC1CCCOC1 MCULE-3002610862 [0,1,0,1,0,0|2,0,0]=4 3580 B7R1.3 NC1CCCOC1 MCULE-8678558313 [0,1,0,1,0,0|2,0,0]=4 3581 B7R1.3 NC1CCCSC1 MCULE-5361360271 [0,1,0,1,0,0|2,0,0]=4 3582 B7R1.3 NC1CCCSC1 MCULE-5652416535 [0,1,0,1,0,0|2,0,0]=4 3583 B7R1.3 NC1CCOCC1 MCULE-4830730893 [0,1,0,1,0,0|2,0,0]=4 3584 B7R1.3 NC1CCOCC1 MCULE-6229850202 [0,1,0,1,0,0|2,0,0]=4 3585 B7R1.3 NC1CCOCC1 MCULE-7619874469 [0,1,0,1,0,0|2,0,0]=4 3586 B7R1.3 NC1CCSCC1 MCULE-1077822824 [0,1,0,1,0,0|2,0,0]=4 3587 B7R1.3 NC1CCSCC1 MCULE-7148332202 [0,1,0,1,0,0|2,0,0]=4 3588 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [0,1,0,1,0,0|2,0,0]=4 3589 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [0,1,0,1,0,0|2,0,0]=4 3590 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [0,1,0,1,0,0|2,0,0]=4 3591 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [0,1,0,1,0,0|2,0,0]=4 3592 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [0,1,0,1,0,0|2,0,0]=4 3593 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [0,1,0,1,0,0|2,0,0]=4 3594 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [0,1,0,1,0,0|2,0,0]=4 3595 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [0,1,0,1,0,0|2,0,0]=4 3596 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,1,0,1,0,0|1,0,1]=4 3597 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [0,1,0,1,0,0|2,0,0]=4 3598 B7R1.3 OC1CCCCC1 MCULE-8217921343 [0,1,0,1,0,0|2,0,0]=4 3599 B7R1.3 OC1CCCCN1 MCULE-7168605870 [0,1,0,1,0,0|2,0,0]=4 3600 B7R1.3 OC1CCCCN1 MCULE-9833825308 [0,1,0,1,0,0|2,0,0]=4 3601 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,1,0,1,0,0|2,0,0]=4 3602 B7R1.3 OC1CCCNC1 MCULE-4557845355 [0,1,0,1,0,0|2,0,0]=4 3603 B7R1.3 OC1CCCNC1 MCULE-6040312691 [0,1,0,1,0,0|2,0,0]=4 3604 B7R1.3 OC1CCCOC1 MCULE-3820663957 [0,1,0,1,0,0|1,0,0]=3 3605 B7R1.3 OC1CCCOC1 MCULE-4349250540 [0,1,0,1,0,0|1,0,0]=3 3606 B7R1.3 OC1CCCSC1 MCULE-1448781710 [0,1,0,1,0,0|1,0,0]=3 3607 B7R1.3 OC1CCNCC1 MCULE-3572807775 [0,1,0,1,0,0|2,0,0]=4 3608 B7R1.3 OC1CCNCC1 MCULE-4216905638 [0,1,0,1,0,0|2,0,0]=4 3609 B7R1.3 OC1CCNCC1 MCULE-8298401309 [0,1,0,1,0,0|2,0,0]=4 3610 B7R1.3 OC1CCOCC1 MCULE-3789534226 [0,1,0,1,0,0|1,0,0]=3 3611 B7R1.3 OC1CCSCC1 MCULE-6056663037 [0,1,0,1,0,0|1,0,0]=3 3612 B7R1.3 OC1CNCCO1 MCULE-7048275202 [0,1,0,1,0,0|2,0,0]=4 3613 B7R1.3 OC1CNCCO1 MCULE-9716087824 [0,1,0,1,0,0|2,0,0]=4 3614 B7R1.3 OC1COCOC1 MCULE-1056094446 [0,1,0,1,0,0|0,1,0]=3 3615 B7R1.3 ON1CCOCC1 MCULE-9071295312 [0,1,0,1,0,0|2,0,0]=4 3616 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [0,1,0,1,0,0|2,0,0]=4 3617 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [0,1,0,1,0,0|2,0,0]=4 3618 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [0,1,0,1,0,0|2,0,0]=4 3619 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [0,1,0,1,0,0|2,0,0]=4 3620 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [0,1,0,1,0,0|1,0,0]=3 3621 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [0,1,0,1,0,0|1,0,0]=3 3622 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [0,1,0,1,0,0|2,0,0]=4 3623 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [0,1,0,1,0,0|2,0,0]=4 3624 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [0,1,0,1,0,0|2,0,0]=4 3625 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [0,1,0,1,0,0|2,0,0]=4 3626 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [0,1,0,1,0,0|1,0,0]=3 3627 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [0,1,0,1,0,0|1,0,0]=3 3628 B7R1.3 SC1CCCOC1 MCULE-9540212924 [0,1,0,1,0,0|1,1,0]=4 3629 B7R1.3 SC1CCOCC1 MCULE-1287019115 [0,1,0,1,0,0|1,1,0]=4 3630 B7R1.3 SC1CCSCC1 MCULE-8741596394 [0,1,0,1,0,0|1,1,0]=4 3631 B7R1.4 CC1CCCC1O MCULE-1288711765 [0,1,0,1,0,0|2,0,0]=4 3632 B7R1.4 CC1CNCC1O MCULE-3308447861 [0,1,0,1,0,0|2,0,0]=4 3633 B7R1.4 CC1CNCC1O MCULE-8526879323 [0,1,0,1,0,0|2,0,0]=4 3634 B7R1.4 CC1COCC1N MCULE-5453471722 [0,1,0,1,0,0|2,0,0]=4 3635 B7R1.4 CC1COCC1N MCULE-6647217023 [0,1,0,1,0,0|2,0,0]=4 3636 B7R1.4 CC1COCC1O MCULE-5925280081 [0,1,0,1,0,0|1,0,0]=3 3637 B7R1.4 CC1CSCC1N MCULE-5628200403 [0,1,0,1,0,0|2,0,0]=4 3638 B7R1.4 CC1NCCC1O MCULE-7936666458 [0,1,0,1,0,0|2,0,0]=4 3639 B7R1.4 CC1NCCC1O MCULE-8369948926 [0,1,0,1,0,0|2,0,0]=4 3640 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,1,0,1,0,0|2,0,0]=4 3641 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,1,0,1,0,0|2,0,0]=4 3642 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,1,0,1,0,0|1,0,0]=3 3643 B7R1.4 CC1OCCC1S MCULE-9127694888 [0,1,0,1,0,0|1,1,0]=4 3644 B7R1.4 CC1OCOC1C MCULE-9497186094 [0,1,0,1,0,0|2,0,0]=4 3645 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,1,0,1,0,0|2,0,0]=4 3646 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,1,0,1,0,0|2,0,0]=4 3647 B7R1.4 CC1SCCC1O MCULE-4342593310 [0,1,0,1,0,0|1,0,0]=3 3648 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [0,1,0,1,0,0|2,0,0]=4 3649 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [0,1,0,1,0,0|2,0,0]=4 3650 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-2015388080 [0,1,0,1,0,0|2,0,0]=4 3651 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-3625149028 [0,1,0,1,0,0|2,0,0]=4 3652 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-5773404554 [0,1,0,1,0,0|2,0,0]=4 3653 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6014391902 [0,1,0,1,0,0|2,0,0]=4 3654 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6476104556 [0,1,0,1,0,0|2,0,0]=4 3655 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6537028059 [0,1,0,1,0,0|2,0,0]=4 3656 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-4207581523 [0,1,0,1,0,0|2,0,0]=4 3657 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-6158474994 [0,1,0,1,0,0|2,0,0]=4 3658 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7380960276 [0,1,0,1,0,0|2,0,0]=4 3659 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7589629864 [0,1,0,1,0,0|2,0,0]=4 3660 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [0,1,0,1,0,0|1,0,0]=3 3661 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-1145772262 [0,1,0,1,0,0|2,0,0]=4 3662 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-6639849267 [0,1,0,1,0,0|2,0,0]=4 3663 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-9659959713 [0,1,0,1,0,0|2,0,0]=4 3664 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [0,1,0,1,0,0|1,0,0]=3 3665 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [0,1,0,1,0,0|2,0,0]=4 3666 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [0,1,0,1,0,0|2,0,0]=4 3667 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [0,1,0,1,0,0|2,0,0]=4 3668 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [0,1,0,1,0,0|2,0,0]=4 3669 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [0,1,0,1,0,0|2,0,0]=4 3670 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [0,1,0,1,0,0|2,0,0]=4 3671 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [0,1,0,1,0,0|2,0,0]=4 3672 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [0,1,0,1,0,0|2,0,0]=4 3673 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,1,0,1,0,0|2,0,0]=4 3674 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,1,0,1,0,0|2,0,0]=4 3675 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [0,1,0,1,0,0|2,0,0]=4 3676 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [0,1,0,1,0,0|2,0,0]=4 3677 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [0,1,0,1,0,0|2,0,0]=4 3678 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [0,1,0,1,0,0|2,0,0]=4 3679 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2282810666 [0,1,0,1,0,0|2,0,0]=4 3680 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2772361871 [0,1,0,1,0,0|2,0,0]=4 3681 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3274154422 [0,1,0,1,0,0|2,0,0]=4 3682 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3608199633 [0,1,0,1,0,0|2,0,0]=4 3683 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-1988679936 [0,1,0,1,0,0|2,0,0]=4 3684 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-3451477960 [0,1,0,1,0,0|2,0,0]=4 3685 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-4396463600 [0,1,0,1,0,0|2,0,0]=4 3686 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-7975653844 [0,1,0,1,0,0|2,0,0]=4 3687 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [0,1,0,1,0,0|1,0,0]=3 3688 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [0,1,0,1,0,0|1,0,0]=3 3689 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [0,1,0,1,0,0|1,0,0]=3 3690 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [0,1,0,1,0,0|1,0,0]=3 3691 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [0,1,0,1,0,0|2,0,0]=4 3692 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [0,1,0,1,0,0|2,0,0]=4 3693 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [0,1,0,1,0,0|2,0,0]=4 3694 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [0,1,0,1,0,0|2,0,0]=4 3695 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,1,0,1,0,0|2,0,0]=4 3696 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,1,0,1,0,0|2,0,0]=4 3697 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,1,0,1,0,0|2,0,0]=4 3698 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,1,0,1,0,0|2,0,0]=4 3699 B7R1.4 ClC1CCOC1Cl MCULE-1186010832 [0,1,0,1,0,0|2,0,0]=4 3700 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,1,0,1,0,0|2,0,0]=4 3701 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,1,0,1,0,0|2,0,0]=4 3702 B7R1.4 NC1COCC1Br MCULE-5821692966 [0,1,0,1,0,0|2,0,0]=4 3703 B7R1.4 NC1COCC1F MCULE-5032224318 [0,1,0,1,0,0|2,0,0]=4 3704 B7R1.4 NC1COCC1F MCULE-8302920845 [0,1,0,1,0,0|2,0,0]=4 3705 B7R1.4 NC1COCC1N MCULE-1202195361 [0,1,0,1,0,0|2,0,0]=4 3706 B7R1.4 NC1COCC1N MCULE-4117465167 [0,1,0,1,0,0|2,0,0]=4 3707 B7R1.4 NC1COCC1O MCULE-3115911209 [0,1,0,1,0,0|1,0,0]=3 3708 B7R1.4 NC1COCC1O MCULE-9837103399 [0,1,0,1,0,0|1,0,0]=3 3709 B7R1.4 NC1CSCC1O MCULE-4474934833 [0,1,0,1,0,0|1,0,0]=3 3710 B7R1.4 NC1CSCC1O MCULE-5059305463 [0,1,0,1,0,0|1,0,0]=3 3711 B7R1.4 NC1CSCC1O MCULE-8633680588 [0,1,0,1,0,0|1,0,0]=3 3712 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,1,0,1,0,0|2,0,0]=4 3713 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,1,0,1,0,0|2,0,0]=4 3714 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,1,0,1,0,0|2,0,0]=4 3715 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,1,0,1,0,0|2,0,0]=4 3716 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,1,0,1,0,0|2,0,0]=4 3717 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,1,0,1,0,0|2,0,0]=4 3718 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,1,0,1,0,0|2,0,0]=4 3719 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,1,0,1,0,0|2,0,0]=4 3720 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,1,0,1,0,0|2,0,0]=4 3721 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,1,0,1,0,0|2,0,0]=4 3722 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,1,0,1,0,0|2,0,0]=4 3723 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-1582887664 [0,1,0,1,0,0|2,0,0]=4 3724 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-3978694929 [0,1,0,1,0,0|2,0,0]=4 3725 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-4503972605 [0,1,0,1,0,0|2,0,0]=4 3726 B7R1.4 N[C@@H]1COC[C@@H]1F MCULE-6640537480 [0,1,0,1,0,0|2,0,0]=4 3727 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5625344145 [0,1,0,1,0,0|2,0,0]=4 3728 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5743565778 [0,1,0,1,0,0|2,0,0]=4 3729 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-7916026303 [0,1,0,1,0,0|2,0,0]=4 3730 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [0,1,0,1,0,0|1,0,0]=3 3731 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [0,1,0,1,0,0|1,0,0]=3 3732 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3183837574 [0,1,0,1,0,0|2,0,0]=4 3733 B7R1.4 N[C@@H]1COC[C@H]1F MCULE-3329511858 [0,1,0,1,0,0|2,0,0]=4 3734 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3234416434 [0,1,0,1,0,0|2,0,0]=4 3735 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3421021007 [0,1,0,1,0,0|2,0,0]=4 3736 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [0,1,0,1,0,0|1,0,0]=3 3737 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [0,1,0,1,0,0|1,0,0]=3 3738 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [0,1,0,1,0,0|1,0,0]=3 3739 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [0,1,0,1,0,0|1,0,0]=3 3740 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [0,1,0,1,0,0|1,0,0]=3 3741 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [0,1,0,1,0,0|1,0,0]=3 3742 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [0,1,0,1,0,0|1,0,0]=3 3743 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [0,1,0,1,0,0|1,0,0]=3 3744 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [0,1,0,1,0,0|1,0,0]=3 3745 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [0,1,0,1,0,0|1,0,0]=3 3746 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,1,0,1,0,0|2,0,0]=4 3747 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,1,0,1,0,0|2,0,0]=4 3748 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,1,0,1,0,0|2,0,0]=4 3749 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,1,0,1,0,0|2,0,0]=4 3750 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,1,0,1,0,0|2,0,0]=4 3751 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,1,0,1,0,0|2,0,0]=4 3752 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,1,0,1,0,0|2,0,0]=4 3753 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,1,0,1,0,0|2,0,0]=4 3754 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,1,0,1,0,0|2,0,0]=4 3755 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-1031359839 [0,1,0,1,0,0|2,0,0]=4 3756 B7R1.4 N[C@H]1COC[C@@H]1F MCULE-6239060869 [0,1,0,1,0,0|2,0,0]=4 3757 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-4495433095 [0,1,0,1,0,0|2,0,0]=4 3758 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-6217406845 [0,1,0,1,0,0|2,0,0]=4 3759 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-9762071646 [0,1,0,1,0,0|2,0,0]=4 3760 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [0,1,0,1,0,0|1,0,0]=3 3761 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [0,1,0,1,0,0|1,0,0]=3 3762 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [0,1,0,1,0,0|1,0,0]=3 3763 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [0,1,0,1,0,0|1,0,0]=3 3764 B7R1.4 N[C@H]1COC[C@H]1F MCULE-7980939593 [0,1,0,1,0,0|2,0,0]=4 3765 B7R1.4 N[C@H]1COC[C@H]1F MCULE-8990550970 [0,1,0,1,0,0|2,0,0]=4 3766 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [0,1,0,1,0,0|1,0,0]=3 3767 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [0,1,0,1,0,0|1,0,0]=3 3768 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [0,1,0,1,0,0|1,0,0]=3 3769 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [0,1,0,1,0,0|1,0,0]=3 3770 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|0,1,1]=4 3771 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|0,1,1]=4 3772 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|0,1,1]=4 3773 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|0,1,1]=4 3774 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|0,1,1]=4 3775 B7R1.4 OC1CCCC1Br MCULE-9027030471 [0,1,0,1,0,0|2,0,0]=4 3776 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [0,1,0,1,0,0|2,0,0]=4 3777 B7R1.4 OC1CCCC1F MCULE-9111039481 [0,1,0,1,0,0|2,0,0]=4 3778 B7R1.4 OC1CCCC1O MCULE-2003945768 [0,1,0,1,0,0|1,0,0]=3 3779 B7R1.4 OC1CNCC1Br MCULE-1241091506 [0,1,0,1,0,0|2,0,0]=4 3780 B7R1.4 OC1CNCC1Br MCULE-4889737174 [0,1,0,1,0,0|2,0,0]=4 3781 B7R1.4 OC1CNCC1F MCULE-3412240528 [0,1,0,1,0,0|2,0,0]=4 3782 B7R1.4 OC1CNCC1F MCULE-7214807363 [0,1,0,1,0,0|2,0,0]=4 3783 B7R1.4 OC1CNCC1O MCULE-4416566731 [0,1,0,1,0,0|1,0,0]=3 3784 B7R1.4 OC1CNCC1O MCULE-7287658845 [0,1,0,1,0,0|1,0,0]=3 3785 B7R1.4 OC1COCC1Br MCULE-8642236751 [0,1,0,1,0,0|1,0,0]=3 3786 B7R1.4 OC1COCC1F MCULE-3255803142 [0,1,0,1,0,0|1,0,0]=3 3787 B7R1.4 OC1COCC1O MCULE-2982401803 [0,1,0,1,0,0|0,1,0]=3 3788 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [0,1,0,1,0,0|2,0,0]=4 3789 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [0,1,0,1,0,0|2,0,0]=4 3790 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [0,1,0,1,0,0|2,0,0]=4 3791 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [0,1,0,1,0,0|1,0,0]=3 3792 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [0,1,0,1,0,0|1,0,0]=3 3793 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-4544085940 [0,1,0,1,0,0|2,0,0]=4 3794 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-6356393045 [0,1,0,1,0,0|2,0,0]=4 3795 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-7332143154 [0,1,0,1,0,0|2,0,0]=4 3796 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8032995983 [0,1,0,1,0,0|2,0,0]=4 3797 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8052505932 [0,1,0,1,0,0|2,0,0]=4 3798 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8564653401 [0,1,0,1,0,0|2,0,0]=4 3799 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-2691246784 [0,1,0,1,0,0|2,0,0]=4 3800 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-7250968554 [0,1,0,1,0,0|2,0,0]=4 3801 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8439784112 [0,1,0,1,0,0|2,0,0]=4 3802 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8682802807 [0,1,0,1,0,0|2,0,0]=4 3803 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [0,1,0,1,0,0|1,0,0]=3 3804 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [0,1,0,1,0,0|1,0,0]=3 3805 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [0,1,0,1,0,0|1,0,0]=3 3806 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [0,1,0,1,0,0|1,0,0]=3 3807 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [0,1,0,1,0,0|1,0,0]=3 3808 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [0,1,0,1,0,0|0,1,0]=3 3809 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [0,1,0,1,0,0|2,0,0]=4 3810 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [0,1,0,1,0,0|1,0,0]=3 3811 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [0,1,0,1,0,0|1,0,0]=3 3812 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [0,1,0,1,0,0|1,0,0]=3 3813 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [0,1,0,1,0,0|2,0,0]=4 3814 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [0,1,0,1,0,0|2,0,0]=4 3815 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [0,1,0,1,0,0|2,0,0]=4 3816 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [0,1,0,1,0,0|1,0,0]=3 3817 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-3839318633 [0,1,0,1,0,0|2,0,0]=4 3818 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-4218821429 [0,1,0,1,0,0|2,0,0]=4 3819 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-7845583982 [0,1,0,1,0,0|2,0,0]=4 3820 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-9325791348 [0,1,0,1,0,0|2,0,0]=4 3821 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [0,1,0,1,0,0|1,0,0]=3 3822 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [0,1,0,1,0,0|1,0,0]=3 3823 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [0,1,0,1,0,0|1,0,0]=3 3824 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [0,1,0,1,0,0|1,0,0]=3 3825 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [0,1,0,1,0,0|1,0,0]=3 3826 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-2104048645 [0,1,0,1,0,0|2,0,0]=4 3827 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5086480017 [0,1,0,1,0,0|2,0,0]=4 3828 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5328004683 [0,1,0,1,0,0|2,0,0]=4 3829 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5990996560 [0,1,0,1,0,0|2,0,0]=4 3830 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [0,1,0,1,0,0|1,0,0]=3 3831 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [0,1,0,1,0,0|1,0,0]=3 3832 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [0,1,0,1,0,0|1,0,0]=3 3833 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [0,1,0,1,0,0|0,1,0]=3 3834 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [0,1,0,1,0,0|0,1,0]=3 3835 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [0,1,0,1,0,0|0,1,0]=3 3836 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [0,1,0,1,0,0|1,0,0]=3 3837 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-3635591654 [0,1,0,1,0,0|2,0,0]=4 3838 B7R1.4 [C@@H]1(COC[C@@H]1F)N MCULE-5914925477 [0,1,0,1,0,0|2,0,0]=4 3839 B7R1.4 [C@@H]1(COC[C@@H]1N)N MCULE-4324328112 [0,1,0,1,0,0|2,0,0]=4 3840 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-1484680203 [0,1,0,1,0,0|2,0,0]=4 3841 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-7754900549 [0,1,0,1,0,0|2,0,0]=4 3842 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-5920046767 [0,1,0,1,0,0|2,0,0]=4 3843 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-6282053067 [0,1,0,1,0,0|2,0,0]=4 3844 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-8432332245 [0,1,0,1,0,0|2,0,0]=4 3845 B7R1.4 [NH3+][C@@H]1CSC[C@@H]1O MCULE-5747970201 [0,1,0,1,0,0|1,0,0]=3 3846 B7R1.4 [NH3+][C@@H]1CSC[C@H]1O MCULE-4897701746 [0,1,0,1,0,0|1,0,0]=3 3847 B7R1.6 BrCCC1CCO1 MCULE-2777479085 [0,1,0,1,0,0|2,0,0]=4 3848 B7R1.6 BrCCC1COC1 MCULE-8858681111 [0,1,0,1,0,0|2,0,0]=4 3849 B7R1.6 C1(CCN1)COC MCULE-6891607313 [0,1,0,1,0,0|2,0,0]=4 3850 B7R1.6 CCNC1COC1 MCULE-6357248771 [0,1,0,1,0,0|2,0,0]=4 3851 B7R1.6 CCNC1COC1 MCULE-8144856469 [0,1,0,1,0,0|2,0,0]=4 3852 B7R1.6 CNCC1CCO1 MCULE-5990606434 [0,1,0,1,0,0|2,0,0]=4 3853 B7R1.6 CNCC1COC1 MCULE-9048388624 [0,1,0,1,0,0|2,0,0]=4 3854 B7R1.6 COCC1CCN1 MCULE-3275131561 [0,1,0,1,0,0|2,0,0]=4 3855 B7R1.6 COCC1CCN1 MCULE-4183304984 [0,1,0,1,0,0|2,0,0]=4 3856 B7R1.6 COCC1CCN1 MCULE-7159192750 [0,1,0,1,0,0|2,0,0]=4 3857 B7R1.6 COCC1CNC1 MCULE-4967592714 [0,1,0,1,0,0|2,0,0]=4 3858 B7R1.6 COCC1CNC1 MCULE-6804867712 [0,1,0,1,0,0|2,0,0]=4 3859 B7R1.6 COCC1CNC1 MCULE-9862500955 [0,1,0,1,0,0|2,0,0]=4 3860 B7R1.6 COC[C@@H]1CCN1 MCULE-2241257059 [0,1,0,1,0,0|2,0,0]=4 3861 B7R1.6 COC[C@@H]1CCN1 MCULE-4677436919 [0,1,0,1,0,0|2,0,0]=4 3862 B7R1.6 COC[C@@H]1CCN1 MCULE-5280330847 [0,1,0,1,0,0|2,0,0]=4 3863 B7R1.6 COC[C@@H]1CCN1 MCULE-9466463613 [0,1,0,1,0,0|2,0,0]=4 3864 B7R1.6 COC[C@H]1CCN1 MCULE-7456820187 [0,1,0,1,0,0|2,0,0]=4 3865 B7R1.6 COC[C@H]1CCN1 MCULE-7652894052 [0,1,0,1,0,0|2,0,0]=4 3866 B7R1.6 ICCC1CCO1 MCULE-3778448773 [0,1,0,1,0,0|2,0,0]=4 3867 B7R1.6 ICCC1COC1 MCULE-6063305860 [0,1,0,1,0,0|2,0,0]=4 3868 B7R1.6 N#CCC1COC1 MCULE-7466805866 [0,1,0,1,0,0|2,0,0]=4 3869 B7R1.6 NCCC1CCO1 MCULE-3619983020 [0,1,0,1,0,0|2,0,0]=4 3870 B7R1.6 NCCC1COC1 MCULE-6363254952 [0,1,0,1,0,0|2,0,0]=4 3871 B7R1.6 NCCC1COC1 MCULE-6907504739 [0,1,0,1,0,0|2,0,0]=4 3872 B7R1.6 NCCC1CSC1 MCULE-5034757527 [0,1,0,1,0,0|2,0,0]=4 3873 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [0,1,0,1,0,0|2,0,0]=4 3874 B7R1.6 NOCC1CCC1 MCULE-1477129462 [0,1,0,1,0,0|2,0,0]=4 3875 B7R1.6 NOCC1CCC1 MCULE-7638467520 [0,1,0,1,0,0|2,0,0]=4 3876 B7R1.6 O=CCC1COC1 MCULE-3070858256 [0,1,0,1,0,0|1,1,0]=4 3877 B7R1.6 OCCC1CCC1 MCULE-1014969390 [0,1,0,1,0,0|2,0,0]=4 3878 B7R1.6 OCCC1CCN1 MCULE-4368379502 [0,1,0,1,0,0|2,0,0]=4 3879 B7R1.6 OCCC1CCO1 MCULE-3323265996 [0,1,0,1,0,0|1,0,0]=3 3880 B7R1.6 OCCC1CNC1 MCULE-1975411420 [0,1,0,1,0,0|2,0,0]=4 3881 B7R1.6 OCCC1CNC1 MCULE-4993890888 [0,1,0,1,0,0|2,0,0]=4 3882 B7R1.6 OCCC1COC1 MCULE-2515762048 [0,1,0,1,0,0|1,1,0]=4 3883 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [0,1,0,1,0,0|2,0,0]=4 3884 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [0,1,0,1,0,0|1,0,0]=3 3885 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [0,1,0,1,0,0|2,0,0]=4 3886 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [0,1,0,1,0,0|1,0,0]=3 3887 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [0,1,0,1,0,0|1,0,0]=3 3888 B7R1.8 CC1CCC1CO MCULE-4677269341 [0,1,0,1,0,0|2,0,0]=4 3889 B7R1.8 CN1CCC1CO MCULE-3475629266 [0,1,0,1,0,0|2,0,0]=4 3890 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [0,1,0,1,0,0|2,0,0]=4 3891 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [0,1,0,1,0,0|2,0,0]=4 3892 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [0,1,0,1,0,0|2,0,0]=4 3893 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [0,1,0,1,0,0|2,0,0]=4 3894 B7R1.8 CN[C@H]1CC[C@@H]1O MCULE-4638367588 [0,1,0,1,0,0|2,0,0]=4 3895 B7R1.8 COC1CCC1N MCULE-4537411385 [0,1,0,1,0,0|2,0,0]=4 3896 B7R1.8 COC1CCC1N MCULE-6423037026 [0,1,0,1,0,0|2,0,0]=4 3897 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-3087283983 [0,1,0,1,0,0|2,0,0]=4 3898 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-8723342484 [0,1,0,1,0,0|2,0,0]=4 3899 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-1324573121 [0,1,0,1,0,0|2,0,0]=4 3900 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4430321170 [0,1,0,1,0,0|2,0,0]=4 3901 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4876260929 [0,1,0,1,0,0|2,0,0]=4 3902 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5060858396 [0,1,0,1,0,0|2,0,0]=4 3903 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5711735047 [0,1,0,1,0,0|2,0,0]=4 3904 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-9952102635 [0,1,0,1,0,0|2,0,0]=4 3905 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-2991866514 [0,1,0,1,0,0|2,0,0]=4 3906 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-9729569658 [0,1,0,1,0,0|2,0,0]=4 3907 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9859722305 [0,1,0,1,0,0|2,0,0]=4 3908 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9948570347 [0,1,0,1,0,0|2,0,0]=4 3909 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|1,0,1]=4 3910 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|1,0,1]=4 3911 B7R1.8 OCC1CCC1F MCULE-2481035584 [0,1,0,1,0,0|2,0,0]=4 3912 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,1,0,0|1,0,0]=3 3913 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,1,0,0|1,0,0]=3 3914 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,1,0,0|1,0,0]=3 3915 B7R1.9 C#CC1CC1CO MCULE-9506693915 [0,1,0,1,0,0|2,0,0]=4 3916 B7R1.9 C#C[C@H]1C[C@H]1CO MCULE-5176741676 [0,1,0,1,0,0|2,0,0]=4 3917 B7R1.9 CCC1CC1CO MCULE-3342087238 [0,1,0,1,0,0|2,0,0]=4 3918 B7R1.9 N#CC1CC1CO MCULE-7679796035 [0,1,0,1,0,0|2,0,0]=4 3919 B7R1.9 NCC1CC1CO MCULE-2679526126 [0,1,0,1,0,0|2,0,0]=4 3920 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [0,1,0,1,0,0|2,0,0]=4 3921 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [0,1,0,1,0,0|2,0,0]=4 3922 B7R1.9 OCC1CC1CO MCULE-5153064657 [0,1,0,1,0,0|1,1,0]=4 3923 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [0,1,0,1,0,0|1,1,0]=4 3924 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,1,0,0|2,0,0]=4 3925 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [0,1,0,1,0,0|2,0,0]=4 3926 B7R1.10 CN1CC(C1)CO MCULE-7263385340 [0,1,0,1,0,0|2,0,0]=4 3927 B7R1.10 CN1CC(C1)CO MCULE-8892079014 [0,1,0,1,0,0|2,0,0]=4 3928 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [0,1,0,1,0,0|2,0,0]=4 3929 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [0,1,0,1,0,0|2,0,0]=4 3930 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [0,1,0,1,0,0|2,0,0]=4 3931 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [0,1,0,1,0,0|2,0,0]=4 3932 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [0,1,0,1,0,0|2,0,0]=4 3933 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [0,1,0,1,0,0|2,0,0]=4 3934 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [0,1,0,1,0,0|2,0,0]=4 3935 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [0,1,0,1,0,0|2,0,0]=4 3936 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [0,1,0,1,0,0|2,0,0]=4 3937 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [0,1,0,1,0,0|2,0,0]=4 3938 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [0,1,0,1,0,0|2,0,0]=4 3939 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [0,1,0,1,0,0|2,0,0]=4 3940 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,1,0,0|1,1,0]=4 3941 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|1,1,0]=4 3942 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|1,1,0]=4 3943 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|1,0,1]=4 3944 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|1,1,0]=4 3945 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|1,1,0]=4 3946 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|1,1,0]=4 3947 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [0,1,0,1,0,0|2,0,0]=4 3948 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [0,1,0,1,0,0|2,0,0]=4 3949 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [0,1,0,1,0,0|2,0,0]=4 3950 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [0,1,0,1,0,0|2,0,0]=4 3951 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [0,1,0,1,0,0|2,0,0]=4 3952 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [0,1,0,1,0,0|1,1,0]=4 3953 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [0,1,0,1,0,0|1,1,0]=4 3954 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [0,1,0,1,0,0|2,0,0]=4 3955 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [0,1,0,1,0,0|2,0,0]=4 3956 B7R1.21 CCOC1(CC1)O MCULE-9629273021 [0,1,0,1,0,0|2,0,0]=4 3957 B7R1.21 CNCC1(CC1)O MCULE-3223715599 [0,1,0,1,0,0|2,0,0]=4 3958 B7R1.21 CNCC1(CC1)O MCULE-4292226298 [0,1,0,1,0,0|2,0,0]=4 3959 B7R1.21 COCC1(CC1)N MCULE-1201230014 [0,1,0,1,0,0|2,0,0]=4 3960 B7R1.21 COCC1(CC1)N MCULE-3690729649 [0,1,0,1,0,0|2,0,0]=4 3961 B7R1.21 COCC1(CO1)C MCULE-8694642597 [0,1,0,1,0,0|1,1,0]=4 3962 B7R1.21 NC1(CC1)CCO MCULE-6023170197 [0,1,0,1,0,0|2,0,0]=4 3963 B7R1.21 NC1(CC1)CCO MCULE-6146864546 [0,1,0,1,0,0|2,0,0]=4 3964 B7R1.21 NCCC1(CC1)O MCULE-7254265215 [0,1,0,1,0,0|2,0,0]=4 3965 B7R1.21 NCCC1(CC1)O MCULE-9873887297 [0,1,0,1,0,0|2,0,0]=4 3966 B7R1.21 OC1(CC1)CCBr MCULE-4785989916 [0,1,0,1,0,0|2,0,0]=4 3967 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [0,1,0,1,0,0|1,0,0]=3 3968 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,1,0,1,0,0|1,0,1]=4 3969 B7R1.22 CC(CO)C1CC1 MCULE-8325587009 [0,1,0,1,0,0|2,0,0]=4 3970 B7R1.22 CCC(O)C1CC1 MCULE-5753196768 [0,1,0,1,0,0|2,0,0]=4 3971 B7R1.22 ClCC(Cl)C1CO1 MCULE-4739045871 [0,1,0,1,0,0|2,0,0]=4 3972 B7R1.22 NC(CO)C1CC1 MCULE-5154854421 [0,1,0,1,0,0|2,0,0]=4 3973 B7R1.22 NC(CO)C1CC1 MCULE-8775546228 [0,1,0,1,0,0|2,0,0]=4 3974 B7R1.22 NCC(O)C1CC1 MCULE-4953920778 [0,1,0,1,0,0|2,0,0]=4 3975 B7R1.22 NCC(O)C1CC1 MCULE-5905916662 [0,1,0,1,0,0|2,0,0]=4 3976 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5231249344 [0,1,0,1,0,0|2,0,0]=4 3977 B7R1.22 N[C@@H](CO)C1CC1 MCULE-5233980282 [0,1,0,1,0,0|2,0,0]=4 3978 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9664157108 [0,1,0,1,0,0|2,0,0]=4 3979 B7R1.22 N[C@@H](CO)C1CC1 MCULE-9941605288 [0,1,0,1,0,0|2,0,0]=4 3980 B7R1.22 N[C@H](CO)C1CC1 MCULE-3523450080 [0,1,0,1,0,0|2,0,0]=4 3981 B7R1.22 N[C@H](CO)C1CC1 MCULE-6097147899 [0,1,0,1,0,0|2,0,0]=4 3982 B7R1.22 N[C@H](CO)C1CC1 MCULE-9050007019 [0,1,0,1,0,0|2,0,0]=4 3983 B7R1.22 N[C@H](CO)C1CC1 MCULE-9945100855 [0,1,0,1,0,0|2,0,0]=4 3984 B7R1.22 OC(CBr)C1CC1 MCULE-1163924206 [0,1,0,1,0,0|2,0,0]=4 3985 B7R1.22 OCC(O)C1CC1 MCULE-9694056700 [0,1,0,1,0,0|1,0,0]=3 3986 B7R1.25 C#CC1(COC1)O MCULE-8197450802 [0,1,0,1,0,0|1,0,1]=4 3987 B7R1.25 C#CC1(CSC1)O MCULE-1704348121 [0,1,0,1,0,0|1,0,1]=4 3988 B7R1.25 C=CC1(COC1)O MCULE-3192470057 [0,1,0,1,0,0|1,0,1]=4 3989 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [0,1,0,1,0,0|2,0,0]=4 3990 B7R1.25 CC1(CCC1)CS MCULE-2920048402 [0,1,0,1,0,0|2,0,0]=4 3991 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [0,1,0,1,0,0|2,0,0]=4 3992 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [0,1,0,1,0,0|2,0,0]=4 3993 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [0,1,0,1,0,0|2,0,0]=4 3994 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [0,1,0,1,0,0|1,0,0]=3 3995 B7R1.25 CC1(CNC1)CO MCULE-4856424189 [0,1,0,1,0,0|2,0,0]=4 3996 B7R1.25 CC1(CNC1)CO MCULE-7118798664 [0,1,0,1,0,0|2,0,0]=4 3997 B7R1.25 CC1(COC1)CBr MCULE-5644951797 [0,1,0,1,0,0|2,0,0]=4 3998 B7R1.25 CC1(COC1)CCl MCULE-3299014950 [0,1,0,1,0,0|2,0,0]=4 3999 B7R1.25 CC1(COC1)CI MCULE-2311899293 [0,1,0,1,0,0|2,0,0]=4 4000 B7R1.25 CC1(COC1)CN MCULE-1465461565 [0,1,0,1,0,0|2,0,0]=4 4001 B7R1.25 CC1(COC1)CN MCULE-9032740574 [0,1,0,1,0,0|2,0,0]=4 4002 B7R1.25 CC1(COC1)CN MCULE-9508101523 [0,1,0,1,0,0|2,0,0]=4 4003 B7R1.25 CC1(COC1)CO MCULE-5859568263 [0,1,0,1,0,0|1,1,0]=4 4004 B7R1.25 CC1(COC1)CS MCULE-6297617076 [0,1,0,1,0,0|1,0,0]=3 4005 B7R1.25 CC1(CSC1)CO MCULE-2267957602 [0,1,0,1,0,0|1,0,0]=3 4006 B7R1.25 CCC1(CNC1)O MCULE-5663327812 [0,1,0,1,0,0|2,0,0]=4 4007 B7R1.25 CCC1(CNC1)O MCULE-5973200057 [0,1,0,1,0,0|2,0,0]=4 4008 B7R1.25 CCC1(CNC1)O MCULE-7770950299 [0,1,0,1,0,0|2,0,0]=4 4009 B7R1.25 CCC1(COC1)N MCULE-1675536237 [0,1,0,1,0,0|2,0,0]=4 4010 B7R1.25 CCC1(COC1)N MCULE-2070317664 [0,1,0,1,0,0|2,0,0]=4 4011 B7R1.25 CCC1(COC1)O MCULE-7543171366 [0,1,0,1,0,0|1,0,0]=3 4012 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [0,1,0,1,0,0|2,0,0]=4 4013 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [0,1,0,1,0,0|1,0,0]=3 4014 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [0,1,0,1,0,0|1,0,0]=3 4015 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [0,1,0,1,0,0|1,0,0]=3 4016 B7R1.25 FC1(COC1)CBr MCULE-5677480606 [0,1,0,1,0,0|2,0,0]=4 4017 B7R1.25 FC1(COC1)CI MCULE-7872792591 [0,1,0,1,0,0|2,0,0]=4 4018 B7R1.25 N#CC1(COC1)O MCULE-4264738108 [0,1,0,1,0,0|1,0,1]=4 4019 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [0,1,0,1,0,0|2,0,0]=4 4020 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [0,1,0,1,0,0|2,0,0]=4 4021 B7R1.25 NC1(COC1)CF MCULE-5210114564 [0,1,0,1,0,0|2,0,0]=4 4022 B7R1.25 NC1(COC1)CF MCULE-9301949135 [0,1,0,1,0,0|2,0,0]=4 4023 B7R1.25 NC1(COC1)CO MCULE-5347414182 [0,1,0,1,0,0|1,1,0]=4 4024 B7R1.25 NCC1(CCC1)O MCULE-1242555690 [0,1,0,1,0,0|2,0,0]=4 4025 B7R1.25 NCC1(COC1)F MCULE-4525292125 [0,1,0,1,0,0|2,0,0]=4 4026 B7R1.25 NCC1(COC1)N MCULE-1079562077 [0,1,0,1,0,0|2,0,0]=4 4027 B7R1.25 NCC1(COC1)N MCULE-6820840703 [0,1,0,1,0,0|2,0,0]=4 4028 B7R1.25 NCC1(COC1)N MCULE-6888014911 [0,1,0,1,0,0|2,0,0]=4 4029 B7R1.25 NCC1(COC1)O MCULE-6677052127 [0,1,0,1,0,0|1,0,0]=3 4030 B7R1.25 OC1(CCC1)CBr MCULE-7282991867 [0,1,0,1,0,0|2,0,0]=4 4031 B7R1.25 OC1(CNC1)CF MCULE-2176182716 [0,1,0,1,0,0|2,0,0]=4 4032 B7R1.25 OC1(CNC1)CF MCULE-4315199916 [0,1,0,1,0,0|2,0,0]=4 4033 B7R1.25 OC1(COC1)CF MCULE-1428128025 [0,1,0,1,0,0|1,0,0]=3 4034 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [0,1,0,1,0,0|2,0,0]=4 4035 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [0,1,0,1,0,0|1,0,0]=3 4036 B7R1.25 OCC1(CNC1)F MCULE-7526502512 [0,1,0,1,0,0|2,0,0]=4 4037 B7R1.25 OCC1(CNC1)F MCULE-7804174908 [0,1,0,1,0,0|2,0,0]=4 4038 B7R1.25 OCC1(CNC1)O MCULE-1089145184 [0,1,0,1,0,0|1,0,0]=3 4039 B7R1.25 OCC1(CNC1)O MCULE-8217738451 [0,1,0,1,0,0|1,0,0]=3 4040 B7R1.25 OCC1(CNC1)O MCULE-9215525935 [0,1,0,1,0,0|1,0,0]=3 4041 B7R1.25 OCC1(CNC1)O MCULE-9389454165 [0,1,0,1,0,0|1,0,0]=3 4042 B7R1.25 OCC1(COC1)F MCULE-9098723776 [0,1,0,1,0,0|1,1,0]=4 4043 B7R1.25 OCC1(COC1)O MCULE-4207928663 [0,1,0,1,0,0|0,1,0]=3 4044 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [0,1,0,1,0,0|2,0,0]=4 4045 B7R1.27 CC1(CC1F)CO MCULE-9626513813 [0,1,0,1,0,0|2,0,0]=4 4046 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [0,1,0,1,0,0|2,0,0]=4 4047 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [0,1,0,1,0,0|2,0,0]=4 4048 B7R1.17 CC1(NCC1O)C MCULE-5840741801 [0,1,0,1,0,0|2,0,0]=4 4049 B7R1.17 CC1(NCC1O)C MCULE-7044413523 [0,1,0,1,0,0|2,0,0]=4 4050 B7R1.17 CC1(OCC1N)C MCULE-2792085100 [0,1,0,1,0,0|2,0,0]=4 4051 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [0,1,0,1,0,0|1,0,0]=3 4052 B7R1.17 CC1(OC[C@@H]1N)C MCULE-1806722832 [0,1,0,1,0,0|2,0,0]=4 4053 B7R1.17 CC1(SCC1N)C MCULE-2967285527 [0,1,0,1,0,0|2,0,0]=4 4054 B7R1.17 CC1(SCC1N)C MCULE-3093982180 [0,1,0,1,0,0|2,0,0]=4 4055 B7R1.18 CC(N)C1COC1 MCULE-1380624257 [0,1,0,1,0,0|2,0,0]=4 4056 B7R1.18 CC(N)C1CSC1 MCULE-5095506053 [0,1,0,1,0,0|2,0,0]=4 4057 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,1,0,1,0,0|2,0,0]=4 4058 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,1,0,1,0,0|2,0,0]=4 4059 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,1,0,1,0,0|2,0,0]=4 4060 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,1,0,1,0,0|2,0,0]=4 4061 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,1,0,1,0,0|1,1,0]=4 4062 B7R1.18 C[C@@H](N)C1COC1 MCULE-7669553866 [0,1,0,1,0,0|2,0,0]=4 4063 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,1,0,1,0,0|2,0,0]=4 4064 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,1,0,1,0,0|1,1,0]=4 4065 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,1,0,1,0,0|1,1,0]=4 4066 B7R1.18 C[C@H](N)C1COC1 MCULE-8337949293 [0,1,0,1,0,0|2,0,0]=4 4067 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,1,0,1,0,0|2,0,0]=4 4068 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,1,0,1,0,0|2,0,0]=4 4069 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,1,0,1,0,0|2,0,0]=4 4070 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,1,0,1,0,0|2,0,0]=4 4071 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,1,0,1,0,0|1,1,0]=4 4072 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,1,0,1,0,0|1,1,0]=4 4073 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,1]=4 4074 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,1]=4 4075 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|1,0,1]=4 4076 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,1]=4 4077 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,1]=4 4078 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,1]=4 4079 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,1]=4 4080 B7R1.19 CC(C)C1(CC1)O MCULE-3516849541 [0,1,0,1,0,0|2,0,0]=4 4081 B7R1.19 CC(C)C1(CO1)C MCULE-6945955143 [0,1,0,1,0,0|2,0,0]=4 4082 B7R1.19 CC(N)C1(CC1)O MCULE-9318031577 [0,1,0,1,0,0|2,0,0]=4 4083 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [0,1,0,1,0,0|2,0,0]=4 4084 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [0,1,0,1,0,0|2,0,0]=4 4085 B7R1.19 CC1(CO1)C(F)F MCULE-3665337434 [0,1,0,1,0,0|2,0,0]=4 4086 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|1,0,1]=4 4087 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [0,1,0,1,0,0|2,0,0]=4 4088 B7R1.23 CC1(CC1CO)C MCULE-3855230422 [0,1,0,1,0,0|2,0,0]=4 4089 B7R1.23 CC1(C[C@@H]1CO)C MCULE-2771980454 [0,1,0,1,0,0|2,0,0]=4 4090 B7R1.23 CC1(C[C@H]1CO)C MCULE-7876524457 [0,1,0,1,0,0|2,0,0]=4 4091 B7R1.23 CC1(OC1CBr)C MCULE-1797899499 [0,1,0,1,0,0|2,0,0]=4 4092 B7R1.23 CC1(OC1CCl)C MCULE-6494110934 [0,1,0,1,0,0|2,0,0]=4 4093 B7R1.23 CC1(OC1CO)C MCULE-5147602353 [0,1,0,1,0,0|1,0,0]=3 4094 B7R1.23 OCC1CC1(Br)Br MCULE-7089012177 [0,1,0,1,0,0|2,0,0]=4 4095 B7R1.23 OCC1CC1(Cl)Cl MCULE-7270696266 [0,1,0,1,0,0|2,0,0]=4 4096 B7R1.23 OCC1CC1(F)F MCULE-7947011827 [0,1,0,1,0,0|2,0,0]=4 4097 B7R1.23 OCC1CC1(F)F MCULE-8758794887 [0,1,0,1,0,0|2,0,0]=4 4098 B7R1.23 OC[C@@H]1CC1(F)F MCULE-7341169417 [0,1,0,1,0,0|2,0,0]=4 4099 B7R1.23 OC[C@@H]1CC1(F)F MCULE-8085476948 [0,1,0,1,0,0|2,0,0]=4 4100 B7R1.23 OC[C@H]1CC1(F)F MCULE-4517768682 [0,1,0,1,0,0|2,0,0]=4 4101 B7R1.23 OC[C@H]1CC1(F)F MCULE-7100712334 [0,1,0,1,0,0|2,0,0]=4 4102 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [0,1,0,1,0,0|2,0,0]=4 4103 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [0,1,0,1,0,0|2,0,0]=4 4104 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [0,1,0,1,0,0|2,0,0]=4 4105 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [0,1,0,1,0,0|2,0,0]=4 4106 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [0,1,0,1,0,0|2,0,0]=4 4107 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [0,1,0,1,0,0|2,0,0]=4 4108 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [0,1,0,1,0,0|2,0,0]=4 4109 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [0,1,0,1,0,0|1,0,0]=3 4110 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [0,1,0,1,0,0|1,0,0]=3 4111 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [0,1,0,1,0,0|2,0,0]=4 4112 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [0,1,0,1,0,0|2,0,0]=4 4113 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [0,1,0,1,0,0|2,0,0]=4 4114 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [0,1,0,1,0,0|2,0,0]=4 4115 B7R1.14 C[C@@]1(CNOC1)O MCULE-2135476163 [0,1,0,1,0,0|1,0,0]=3 4116 B7R1.14 C[C@@]1(CNOC1)O MCULE-2596956621 [0,1,0,1,0,0|1,0,0]=3 4117 B7R1.14 C[C@@]1(CNOC1)O MCULE-6080745149 [0,1,0,1,0,0|1,0,0]=3 4118 B7R1.14 C[C@@]1(CNOC1)O MCULE-7091595110 [0,1,0,1,0,0|1,0,0]=3 4119 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [0,1,0,1,0,0|2,0,0]=4 4120 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [0,1,0,1,0,0|2,0,0]=4 4121 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [0,1,0,1,0,0|2,0,0]=4 4122 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [0,1,0,1,0,0|2,0,0]=4 4123 B7R1.14 C[C@]1(CNOC1)O MCULE-1405004782 [0,1,0,1,0,0|1,0,0]=3 4124 B7R1.14 C[C@]1(CNOC1)O MCULE-4558122242 [0,1,0,1,0,0|1,0,0]=3 4125 B7R1.14 FC1(CNOC1)F MCULE-3109048059 [0,1,0,1,0,0|2,0,0]=4 4126 B7R1.14 FC1(CNOC1)F MCULE-9610114974 [0,1,0,1,0,0|2,0,0]=4 4127 B7R1.29 C#CC1(CC1)CO MCULE-3782455933 [0,1,0,1,0,0|2,0,0]=4 4128 B7R1.29 CCC1(CC1)CO MCULE-9504231451 [0,1,0,1,0,0|2,0,0]=4 4129 B7R1.29 CCC1(CO1)CC MCULE-2752448684 [0,1,0,1,0,0|2,0,0]=4 4130 B7R1.29 CCC1(CO1)CCl MCULE-4256565008 [0,1,0,1,0,0|2,0,0]=4 4131 B7R1.29 CNC1(CC1)CO MCULE-4219156771 [0,1,0,1,0,0|2,0,0]=4 4132 B7R1.29 CNC1(CC1)CO MCULE-5369462554 [0,1,0,1,0,0|2,0,0]=4 4133 B7R1.29 COC1(CC1)CBr MCULE-1871702494 [0,1,0,1,0,0|2,0,0]=4 4134 B7R1.29 COC1(CC1)CN MCULE-6599214469 [0,1,0,1,0,0|2,0,0]=4 4135 B7R1.29 COC1(CC1)CN MCULE-9855004613 [0,1,0,1,0,0|2,0,0]=4 4136 B7R1.29 COC1(CC1)CO MCULE-7482266883 [0,1,0,1,0,0|1,0,0]=3 4137 B7R1.29 CSC1(CC1)CO MCULE-4468826717 [0,1,0,1,0,0|1,1,0]=4 4138 B7R1.29 N#CC1(CC1)CO MCULE-4061593735 [0,1,0,1,0,0|2,0,0]=4 4139 B7R1.29 NCC1(CC1)CO MCULE-1328630482 [0,1,0,1,0,0|2,0,0]=4 4140 B7R1.29 NCC1(CC1)CO MCULE-3970508474 [0,1,0,1,0,0|2,0,0]=4 4141 B7R1.29 OCC1(CC1)CF MCULE-1670499766 [0,1,0,1,0,0|2,0,0]=4 4142 B7R1.29 OCC1(CC1)CO MCULE-9312932144 [0,1,0,1,0,0|1,0,0]=3 4143 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [0,0,0,2,0,0|2,0,0]=4 4144 B7R2.13 C1CC2OC2C1 MCULE-9831160642 [0,0,0,2,0,0|2,0,0]=4 4145 B7R2.13 C1NCC2C1O2 MCULE-2427865207 [0,0,0,2,0,0|2,0,0]=4 4146 B7R2.13 C1NCC2C1O2 MCULE-9737269595 [0,0,0,2,0,0|2,0,0]=4 4147 B7R2.13 C1OCC2C1O2 MCULE-5569274990 [0,0,0,2,0,0|1,0,0]=3 4148 B7R2.16 C1CC2(C1)CO2 MCULE-6375096145 [0,0,0,2,0,0|2,0,0]=4 4149 B7R2.16 C1OCC12CO2 MCULE-4629544610 [0,0,0,2,0,0|1,1,0]=4