0 B8R1.7 CC(C1=CC=CO1)C M10116563P [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(C1=CNC=N1)=O M10353238P [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(C1=NC=CS1)C M10138065P [0,0,0,0,0,0|2,1,1]=4 3 B8R1.7 CC(C1=NNC=C1)C M10252677P [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,0,0,0|0,0,4]=4 5 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,0,0,0|0,0,4]=4 6 B8R1.7 N=C(C1=NC=CS1)N M10835143P [0,0,0,0,0,0|3,1,0]=4 7 B8R1.7 N=C(C1=NC=CS1)N M10844603P [0,0,0,0,0,0|3,1,0]=4 8 B8R1.7 O=C(C1=CC=CO1)O M10193915P [0,0,0,0,0,0|1,0,0]=1 9 B8R1.7 O=C(C1=CC=CS1)N M10080706P [0,0,0,0,0,0|1,1,0]=2 10 B8R1.7 O=C(C1=CC=NS1)O M10113638P [0,0,0,0,0,0|2,1,0]=3 11 B8R1.7 O=C(C1=COCC1)O M10633740P [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 O=C(C1=CSC=N1)O M10058994P [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 O=C(C1=CSN=C1)O M10021348P [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 O=C(C1=NC=CO1)O M10937159P [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 O=C(C1=NC=CS1)N M10144775P [0,0,0,0,0,0|2,1,0]=3 16 B8R1.7 O=C(C1=NC=NN1)N M10056314P [0,0,0,0,0,0|4,0,0]=4 17 B8R1.7 O=C(C1=NNC=N1)O M10067379P [0,0,0,0,0,0|4,0,0]=4 18 B8R1.7 O=C(C1=NOC=C1)O M10052260P [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 O=C(C1=NON=C1)O M10542100P [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 O=C(Cl)C1=CSC=C1 M10246124P [0,0,0,0,0,0|3,0,0]=3 21 B8R1.7 O=C(Cl)C1=CSC=N1 M10057323P [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 O=C(N1SC=CN1)O M10410181P [0,0,0,0,0,0|3,1,0]=4 23 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 O=[N+](C1=CC=NN1)[O-] M10194692P [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 O=[N+](C1=CNC=C1)[O-] M10082009P [0,0,0,0,0,0|4,0,0]=4 26 B8R1.7 O=[N+](C1=NC=CN1)[O-] M11193646P [0,0,0,0,0,0|4,0,0]=4 27 B8R1.7 OB(C1=CC=CS1)O M10084567P [0,0,0,0,0,0|2,1,1]=4 28 B8R1.7 S=C(C1=CC=CO1)N M10150220P [0,0,0,0,0,0|1,1,0]=2 29 B8R1.7 S=C(C1=CC=CS1)N M10165254P [0,0,0,0,0,0|1,2,0]=3 30 B7R1.1 BrCC1=CC=CO1 M10063276P [1,0,0,0,0,0|1,0,1]=3 31 B7R1.1 C#CC1=CC=CS1 M10061791P [1,0,0,0,0,0|0,1,2]=4 32 B7R1.1 CCC1=NC=CS1 M10138064P [1,0,0,0,0,0|1,1,1]=4 33 B7R1.1 CCN1N=CC=C1 M10047966P [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 CSC1=NC=CS1 M10068366P [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 ClCC1=CC=CS1 M10020165P [1,0,0,0,0,0|1,1,1]=4 36 B7R1.1 ClCC1=NC=CO1 M10813721P [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 N#CC1=CC=CO1 M10016313P [1,0,0,0,0,0|1,0,1]=3 38 B7R1.1 NCC1=CC=CN1 M10405721P [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 NCC1=CN=CO1 M10111263P [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 NCC1=NC=CO1 M11020248P [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 O=CC1=CC=CN1 M10846417P [1,0,0,0,0,0|1,0,0]=2 42 B7R1.1 O=CC1=CSN=N1 M10198990P [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 O=CC1=NC=CO1 M10412277P [1,0,0,0,0,0|1,0,0]=2 44 B7R1.1 O=CC1=NC=CS1 M10112946P [1,0,0,0,0,0|1,1,0]=3 45 B7R1.1 O=CC1=NNC=C1 M10058610P [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 O=CN1C=CN=C1 M10052134P [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 OCC1=NC=CO1 M10731569P [1,0,0,0,0,0|1,0,2]=4 48 B7R1.1 SCC1=CC=CS1 M10085524P [1,0,0,0,0,0|0,2,1]=4 49 B9R1.11 BrCC(C1=CC=CS1)=O M10115924P [0,1,0,0,0,0|0,1,0]=2 50 B9R1.11 O=C(C1=CC=CO1)SC M10125734P [0,1,0,0,0,0|0,0,0]=1 51 B9R1.11 O=C(C1=CC=CS1)OC M10072317P [0,1,0,0,0,0|0,1,0]=2 52 B9R1.11 O=C(C1=CC=NO1)OC M10134693P [0,1,0,0,0,0|1,0,0]=2 53 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,0,0,0|1,0,2]=4 54 B9R1.11 O=C(C1=CNN=N1)OC M10067660P [0,1,0,0,0,0|3,0,0]=4 55 B9R1.11 O=C(C1=COC=N1)OC M10799100P [0,1,0,0,0,0|2,0,0]=3 56 B9R1.11 O=C(C1=NC=CN1)OC M10148851P [0,1,0,0,0,0|2,0,0]=3 57 B9R1.35 CC(C1=CC(Br)=CS1)=O M10102448P [0,1,0,0,0,0|0,1,0]=2 58 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,1,0,0,0,0|1,0,0]=2 59 B9R1.35 CC(C1=NC(C)=CS1)=O M10108448P [0,1,0,0,0,0|1,1,0]=3 60 B9R1.35 O=C(C1=CC(Br)=CN1)O M10199382P [0,1,0,0,0,0|2,0,0]=3 61 B9R1.35 O=C(C1=CC(C)=CN1)O M10156935P [0,1,0,0,0,0|2,0,0]=3 62 B9R1.35 O=C(C1=CC(C)=NO1)O M10066844P [0,1,0,0,0,0|2,0,0]=3 63 B9R1.35 O=C(C1=CC(Cl)=CS1)O M10308509P [0,1,0,0,0,0|1,1,0]=3 64 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,1,0,0,0,0|2,0,0]=3 65 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,1,0,0,0,0|1,0,0]=2 66 B9R1.35 O=C(C1=CC=C(F)S1)O M10062552P [0,1,0,0,0,0|1,1,0]=3 67 B9R1.35 O=C(C1=CN(C)C=C1)O M10232028P [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 O=C(C1=CN=C(C)N1)O M10031064P [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 O=C(C1=CN=C(N)S1)O M10242223P [0,1,0,0,0,0|2,1,0]=4 70 B9R1.35 O=C(C1=COC(Cl)=N1)O M10943211P [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 O=C(C1=CSC(Cl)=N1)O M10069591P [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 O=C(C1=NC(Br)=CS1)O M10553171P [0,1,0,0,0,0|2,1,0]=4 73 B9R1.35 O=C(C1=NC(C)=CO1)O M11111185P [0,1,0,0,0,0|2,0,0]=3 74 B9R1.35 O=C(C1=NC(C)=CS1)O M10131803P [0,1,0,0,0,0|2,1,0]=4 75 B9R1.35 O=C(C1=NC=C(Br)S1)O M11089748P [0,1,0,0,0,0|2,1,0]=4 76 B9R1.35 O=C(C1=NC=C(C)S1)O M10327915P [0,1,0,0,0,0|2,1,0]=4 77 B9R1.35 O=C(C1=NN=C(C)O1)O M10890763P [0,1,0,0,0,0|3,0,0]=4 78 B9R1.35 O=C(C1=NNC(Br)=C1)O M10130421P [0,1,0,0,0,0|3,0,0]=4 79 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 M10249081P [0,1,0,0,0,0|1,1,0]=3 80 B9R1.35 O=C(O)C1=CC(Br)=CO1 M10054505P [0,1,0,0,0,0|1,0,0]=2 81 B9R1.35 O=[N+](C1=CC=C(Br)S1)[O-] M10121679P [0,1,0,0,0,0|2,1,0]=4 82 B9R1.41 CC(C1=C(Br)C=CS1)=O M10249884P [0,1,0,0,0,0|0,1,0]=2 83 B9R1.41 O=C(C1=C(Br)SC=C1)O M10184016P [0,1,0,0,0,0|3,0,0]=4 84 B9R1.41 O=C(C1=C(Br)SC=N1)O M10652455P [0,1,0,0,0,0|3,0,0]=4 85 B9R1.41 O=C(C1=C(C)NC=C1)O M10232587P [0,1,0,0,0,0|3,0,0]=4 86 B9R1.41 O=C(C1=C(C)OC=N1)O M10652463P [0,1,0,0,0,0|3,0,0]=4 87 B9R1.41 O=C(C1=C(C)SC=N1)O M10710316P [0,1,0,0,0,0|3,0,0]=4 88 B9R1.41 O=C(C1=C(F)C=CS1)O M10217169P [0,1,0,0,0,0|1,1,0]=3 89 B9R1.41 O=C(C1=C(N)SC=N1)N M10077453P [0,1,0,0,0,0|3,0,0]=4 90 B9R1.41 O=C1OC=CN1C(C)=O M10316975P [0,1,0,0,0,0|3,0,0]=4 91 B9R2.7 O=C1C2CC=CC2C1 M10121503P [0,0,0,1,0,0|1,0,2]=4 92 B9R1.6 CC(C1=CN=CN=C1)=O M10114103P [0,0,0,0,0,1|2,0,0]=3 93 B9R1.6 CC(C1=NC=CC=N1)=O M10270086P [0,0,0,0,0,1|1,0,0]=2 94 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [0,0,0,0,0,1|2,0,1]=4 95 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [0,0,0,0,0,1|2,0,1]=4 96 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [0,0,0,0,0,1|1,0,2]=4 97 B9R1.6 CN(C)C1=NC=NC=C1 M10213745P [0,0,0,0,0,1|3,0,0]=4 98 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [0,0,0,0,0,1|2,0,1]=4 99 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [0,0,0,0,0,1|2,0,1]=4 100 B9R1.6 C[SiH](C)C1=CC=CC=C1 M10020227P [0,0,0,0,0,1|2,1,0]=4 101 B9R1.6 N=C(N)C1=NC=CC=C1 M10258861P [0,0,0,0,0,1|3,0,0]=4 102 B9R1.6 NC(C)C1=CC=CC=C1 M10209842P [0,0,0,0,0,1|2,0,1]=4 103 B9R1.6 NC(C1=CC=[NH+]C=C1)=N M10236134P [0,0,0,0,0,1|3,0,0]=4 104 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,0,0,0,0,1|1,0,2]=4 105 B9R1.6 O=C(Cl)C1=CC=CN=C1 M10114789P [0,0,0,0,0,1|2,0,0]=3 106 B9R1.6 O=C([O-])C1=CC=CC=C1 M10194531P [0,0,0,0,0,1|2,0,0]=3 107 B9R1.6 O=C([O-])C1=CN=CC=C1 M10404235P [0,0,0,0,0,1|2,0,0]=3 108 B9R1.6 O=C([O-])C1=NC=CC=C1 M10138174P [0,0,0,0,0,1|2,0,0]=3 109 B9R1.6 O=C([O-])C1=NC=CC=C1 M10152479P [0,0,0,0,0,1|2,0,0]=3 110 B9R1.6 O=P(C1=CC=CC=C1)O M10036149P [0,0,0,0,0,1|3,0,0]=4 111 B9R1.6 O=P(C1=CC=CC=C1)[O-] M10191804P [0,0,0,0,0,1|3,0,0]=4 112 B9R1.6 O=S(C1=CC=CC=C1)O M10016337P [0,0,0,0,0,1|3,0,0]=4 113 B9R1.6 OC(C1=CC=CC=C1)=S M10002682P [0,0,0,0,0,1|2,0,1]=4 114 B9R1.6 S=C(C1=CC=CN=C1)N M10064864P [0,0,0,0,0,1|2,1,0]=4 115 B9R1.6 S=C(C1=CC=NC=C1)N M10041007P [0,0,0,0,0,1|2,1,0]=4 116 B9R1.6 S=C(C1=NC=CC=C1)N M10071783P [0,0,0,0,0,1|2,1,0]=4 117 B9R1.6 S=C(C1=NC=CC=N1)N M10064243P [0,0,0,0,0,1|2,1,0]=4 118 B9R1.6 S=C(C1=NC=CN=C1)N M10064748P [0,0,0,0,0,1|2,1,0]=4 119 B9R1.13 CC(N)CC1=CC=CO1 M10295935P [0,0,0,0,0,1|1,0,1]=3 120 B9R1.13 CC(NC1=CSC=C1)=O M10249324P [0,0,0,0,0,1|2,0,0]=3 121 B9R1.13 O=C(O)CC1=CSC=N1 M10118434P [0,0,0,0,0,1|3,0,0]=4 122 B6R0.4 C=C\C=C\C(O)=O M10016890P [1,0,1,0,0,0|1,0,0]=3 123 B6R0.4 CC(CCC=C)=O M10003621P [1,0,1,0,0,0|0,0,2]=4 124 B6R0.6 C\C=C\C=C\C=O M10005449P [1,0,1,0,0,0|0,0,1]=3 125 B6R0.6 C\C=C\C=C\CO M10147270P [1,0,1,0,0,0|0,0,1]=3 126 B6R0.3 CC(N(C)C=C)=O M10052111P [1,0,1,0,0,0|1,0,1]=4 127 B6R1.2 CC1=CC=CN1 M10017268P [2,0,0,0,0,0|1,0,0]=3 128 B6R1.2 CC1=CC=NN1 M10522458P [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 CC1=CN=CS1 M10055792P [2,0,0,0,0,0|1,1,0]=4 130 B6R1.2 CC1=COC=C1 M10023353P [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 NC1=CC=NO1 M10132694P [2,0,0,0,0,0|2,0,0]=4 132 B8R0.6 C\C=C\C=C\C(OC)=O M10018450P [0,1,1,0,0,0|1,0,0]=3 133 B8R1.1 CC1=CC=C(CC)S1 M10242382P [1,1,0,0,0,0|0,1,1]=4 134 B8R1.1 CC1=NC(C=O)=CS1 M10168174P [1,1,0,0,0,0|2,0,0]=4 135 B8R1.1 COC1=CC=C(Br)S1 M10292628P [1,1,0,0,0,0|1,1,0]=4 136 B8R1.1 CSC1=CC=C(C)O1 M10125717P [1,1,0,0,0,0|1,0,0]=3 137 B8R1.1 O=CC1=CC(Br)=NO1 M10839436P [1,1,0,0,0,0|1,0,0]=3 138 B8R1.1 O=CC1=CC(F)=CS1 M10217163P [1,1,0,0,0,0|0,1,0]=3 139 B8R1.1 O=CC1=CC=C(Br)N1 M10023412P [1,1,0,0,0,0|1,0,0]=3 140 B8R1.1 O=CC1=CN=C(Br)S1 M10881461P [1,1,0,0,0,0|1,1,0]=4 141 B8R1.1 O=CC1=CN=C(N)S1 M10024920P [1,1,0,0,0,0|1,1,0]=4 142 B8R1.1 O=CC1=COC(C)=N1 M10690619P [1,1,0,0,0,0|2,0,0]=4 143 B8R1.1 O=CC1=NOC(C)=C1 M10362936P [1,1,0,0,0,0|2,0,0]=4 144 B8R1.8 BrCCC1=CC=CS1 M10194071P [1,1,0,0,0,0|0,1,1]=4 145 B8R1.11 O=CC1=C(Br)SC=C1 M10037253P [1,1,0,0,0,0|2,0,0]=4 146 B8R1.11 O=CC1=C(C)NC=N1 M10429899P [1,1,0,0,0,0|2,0,0]=4 147 B8R1.11 O=CC1=C(C)SC=C1 M10499253P [1,1,0,0,0,0|2,0,0]=4 148 B8R1.11 O=CC1=C(Cl)SC=C1 M10130517P [1,1,0,0,0,0|2,0,0]=4 149 B8R1.11 O=CC1=C(F)C=CS1 M10217168P [1,1,0,0,0,0|0,1,0]=3 150 B8R1.11 O=CC1=NC=CN1C M10126237P [1,1,0,0,0,0|2,0,0]=4 151 B10R1.13 CC(C1=CC=C(C)N=C1)=O M10230450P [0,1,0,0,0,1|1,0,0]=3 152 B10R1.13 O=C(C1=CN=C(N)C=C1)C M10162833P [0,1,0,0,0,1|1,0,0]=3 153 B10R1.13 O=C(C1=NC=C(C)N=C1)O M10077271P [0,1,0,0,0,1|2,0,0]=4 154 B10R1.13 O=C(C1=NC=C(Cl)N=C1)N M10169546P [0,1,0,0,0,1|2,0,0]=4 155 B10R1.13 O=C(C1=NN=C(Cl)C=C1)O M10068686P [0,1,0,0,0,1|2,0,0]=4 156 B10R1.13 O=C(Cl)C1=CC=C(N)C=C1 M10140702P [0,1,0,0,0,1|2,0,0]=4 157 B10R1.13 O=C(Cl)C1=CN=C(C)C=C1 M10260685P [0,1,0,0,0,1|2,0,0]=4 158 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 M10412106P [0,1,0,0,0,1|2,0,0]=4 159 B10R1.13 O=C(N)C1=CC=C(Br)C=C1 M10018799P [0,1,0,0,0,1|2,0,0]=4 160 B10R1.13 O=C(N)C1=CC=C(O)C=C1 M10196747P [0,1,0,0,0,1|2,0,0]=4 161 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 M11023713P [0,1,0,0,0,1|2,0,0]=4 162 B10R1.13 O=C(N)C1=NC=C(F)C=C1 M10192579P [0,1,0,0,0,1|2,0,0]=4 163 B10R1.13 O=C(N)C1=NC=C(N)C=C1 M10768137P [0,1,0,0,0,1|2,0,0]=4 164 B10R1.13 O=C(O)C1=NC=C(N)C=C1 M10183795P [0,1,0,0,0,1|2,0,0]=4 165 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 M10014026P [0,1,0,0,0,1|2,0,0]=4 166 B10R1.15 BrCC(C1=CC=CN=C1)=O M10151041P [0,1,0,0,0,1|1,0,0]=3 167 B10R1.15 BrCC(C1=NC=CC=C1)=O M10150216P [0,1,0,0,0,1|1,0,0]=3 168 B10R1.15 BrCC(C1=NC=NC=C1)=O M10995344P [0,1,0,0,0,1|1,0,0]=3 169 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [0,1,0,0,0,1|1,0,1]=4 170 B10R1.15 ClCC(C1=CC=CN=C1)=O M10350662P [0,1,0,0,0,1|1,0,0]=3 171 B10R1.15 ClCC(C1=CC=CN=C1)=O M12276696P [0,1,0,0,0,1|1,0,0]=3 172 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [0,1,0,0,0,1|1,0,0]=3 173 B10R1.15 O=C(C1=CCCCO1)OC M10728961P [0,1,0,0,0,1|0,0,2]=4 174 B10R1.15 O=C(C1=NC=NC=C1)NN M10239728P [0,1,0,0,0,1|2,0,0]=4 175 B10R1.61 CC(C1=C(C)C=CN=C1)=O M10258434P [0,1,0,0,0,1|1,0,0]=3 176 B10R1.61 CC(C1=CC=CC=C1O)=O M10655952P [0,1,0,0,0,1|1,0,0]=3 177 B10R1.61 CC(C1=CC=CC=C1S)=O M10195420P [0,1,0,0,0,1|1,0,0]=3 178 B10R1.61 CC(C1=NC=CN=C1N)=O M10712587P [0,1,0,0,0,1|1,0,0]=3 179 B10R1.61 ClC1=NC=CC=C1C(C)=O M10283880P [0,1,0,0,0,1|1,0,0]=3 180 B10R1.61 O=C(C1=C(N)C=CN=C1)N M10105230P [0,1,0,0,0,1|2,0,0]=4 181 B10R1.61 O=C(C1=NC=CN=C1C)O M10244952P [0,1,0,0,0,1|2,0,0]=4 182 B10R1.61 O=C(C1=NC=CN=C1Cl)O M10197914P [0,1,0,0,0,1|2,0,0]=4 183 B10R1.61 O=C(C1=NC=CNC1=O)O M10167209P [0,1,0,0,0,1|2,0,0]=4 184 B10R1.61 O=C(C1=NC=NC=C1C)O M10083525P [0,1,0,0,0,1|2,0,0]=4 185 B10R1.61 O=C(Cl)C1=CC=CC=C1I M10015820P [0,1,0,0,0,1|2,0,0]=4 186 B10R1.61 O=C(N)C1=CC=CC=C1Br M10059208P [0,1,0,0,0,1|2,0,0]=4 187 B10R1.61 O=C(N)C1=CC=CC=C1F M10010862P [0,1,0,0,0,1|2,0,0]=4 188 B10R1.61 O=C(N)C1=CN=CC=C1Cl M10105231P [0,1,0,0,0,1|2,0,0]=4 189 B10R1.61 O=C(O)C1=CC=CC=C1I M11206439P [0,1,0,0,0,1|2,0,0]=4 190 B10R1.61 O=C(O)C1=CC=NC=C1C M10059322P [0,1,0,0,0,1|2,0,0]=4 191 B10R1.61 O=C(O)C1=CC=NC=C1N M10108414P [0,1,0,0,0,1|2,0,0]=4 192 B10R1.61 O=C(O)C1=CC=NC=C1O M10112201P [0,1,0,0,0,1|2,0,0]=4 193 B10R1.61 O=C(O)C1=CN=CC=C1Cl M10112713P [0,1,0,0,0,1|2,0,0]=4 194 B10R1.61 O=C(O)C1=NC=CC=C1O M10022321P [0,1,0,0,0,1|2,0,0]=4 195 B10R1.61 O=C1C(C(C)=O)=CC=CN1 M10385329P [0,1,0,0,0,1|1,0,0]=3 196 B10R1.113 CC(C1=CC=CC(C)=C1)=O M10014836P [0,1,0,0,0,1|1,0,0]=3 197 B10R1.113 CC(C1=NC(Br)=CC=C1)=O M10252765P [0,1,0,0,0,1|1,0,0]=3 198 B10R1.113 CC(C1=NC(N)=NC=C1)=O M10662336P [0,1,0,0,0,1|1,0,0]=3 199 B10R1.113 C[N+]1=CC=CC(C(O)=O)=C1 M12025971P [0,1,0,0,0,1|2,0,0]=4 200 B10R1.113 O=C(C1=CC(C=CO1)=O)O M10012370P [0,1,0,0,0,1|1,0,0]=3 201 B10R1.113 O=C(C1=CC=NC(N1)=O)O M10568203P [0,1,0,0,0,1|2,0,0]=4 202 B10R1.113 O=C(C1=NC(Br)=CN=C1)O M11111177P [0,1,0,0,0,1|2,0,0]=4 203 B10R1.113 O=C(C1=NC(C)=NC=C1)O M10125363P [0,1,0,0,0,1|2,0,0]=4 204 B10R1.113 O=C(C1=NC=NC(Cl)=C1)O M10232682P [0,1,0,0,0,1|2,0,0]=4 205 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 M10261344P [0,1,0,0,0,1|2,0,0]=4 206 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 M10176489P [0,1,0,0,0,1|2,0,0]=4 207 B10R1.113 O=C(N)C1=CC=CC(Cl)=C1 M10016342P [0,1,0,0,0,1|2,0,0]=4 208 B10R1.113 O=C(N)C1=CC=NC(N)=C1 M10124670P [0,1,0,0,0,1|2,0,0]=4 209 B10R1.113 O=C(O)C1=CC=NC(C)=C1 M10059321P [0,1,0,0,0,1|2,0,0]=4 210 B10R1.113 O=C(O)C1=CC=NC(O)=C1 M10797921P [0,1,0,0,0,1|2,0,0]=4 211 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 M10211326P [0,1,0,0,0,1|2,0,0]=4 212 B10R1.113 O=C(O)C1=NC=CC(N)=C1 M10128608P [0,1,0,0,0,1|2,0,0]=4 213 B10R1.23 O=C(C1=CC=CO1)C(O)=O M10031239P [0,1,0,0,0,1|1,0,0]=3 214 B10R1.64 CC(SC1=C(C)OC=C1)=O M10284512P [0,1,0,0,0,1|2,0,0]=4 215 B10R1.11 O=C(C1=CC=CO1)OCC M10030401P [0,2,0,0,0,0|0,0,0]=2 216 B10R1.11 O=C(C1=CC=CS1)CCCl M10243198P [0,2,0,0,0,0|0,1,0]=3 217 B10R1.11 O=C(C1=CN=CO1)OCC M10707454P [0,2,0,0,0,0|1,0,0]=3 218 B10R1.11 O=C(C1=NC=CN1)OCC M10220766P [0,2,0,0,0,0|2,0,0]=4 219 B10R1.11 O=C(C1=NC=CO1)OCC M10219050P [0,2,0,0,0,0|1,0,0]=3 220 B10R1.11 O=C(C1=NNC=C1)OCC M10082024P [0,2,0,0,0,0|2,0,0]=4 221 B10R1.14 CCC(C1=CC=C(C)O1)=O M10116566P [0,2,0,0,0,0|0,0,0]=2 222 B10R1.14 CC[C@@H](C1=CC=C(C)O1)N M10882090P [0,2,0,0,0,0|1,0,1]=4 223 B10R1.14 O=C(C1=CC(Br)=CN1)OC M10023552P [0,2,0,0,0,0|1,0,0]=3 224 B10R1.14 O=C(C1=CC(O)=NO1)OC M10111783P [0,2,0,0,0,0|1,0,0]=3 225 B10R1.14 O=C(C1=CC=C(Br)O1)OC M10045028P [0,2,0,0,0,0|0,0,0]=2 226 B10R1.14 O=C(C1=NNC(N)=C1)OC M10905646P [0,2,0,0,0,0|2,0,0]=4 227 B10R1.149 O=C(C1=C(Br)C=CS1)OC M10192546P [0,2,0,0,0,0|0,1,0]=3 228 B10R1.149 O=C(C1=C(C)N=CS1)OC M10483938P [0,2,0,0,0,0|1,1,0]=4 229 B10R1.149 O=C(C1=C(C)OC=N1)OC M10245119P [0,2,0,0,0,0|2,0,0]=4 230 B10R1.149 O=C(C1=C(Cl)C=CN1)OC M10841569P [0,2,0,0,0,0|1,0,0]=3 231 B10R1.149 O=C(C1=C(F)C=CS1)OC M10640461P [0,2,0,0,0,0|0,1,0]=3 232 B10R1.149 O=C(C1=C(N)C=CO1)OC M10089181P [0,2,0,0,0,0|0,0,0]=2 233 B10R1.149 O=C(C1=C(N)N=CS1)OC M10850534P [0,2,0,0,0,0|1,1,0]=4 234 B10R1.149 O=C(C1=CN=CN1C)OC M10148483P [0,2,0,0,0,0|2,0,0]=4 235 B10R1.149 O=C(C1=CSC=C1N)OC M10241249P [0,2,0,0,0,0|2,0,0]=4 236 B10R1.149 O=C(C1=NNC=C1Br)OC M10482445P [0,2,0,0,0,0|2,0,0]=4 237 B10R1.31 O=C(C1=CC(OC)=NO1)O M10125358P [0,2,0,0,0,0|2,0,0]=4 238 B10R1.31 O=C(C1=CC=C(CC)S1)O M10178972P [0,2,0,0,0,0|1,1,0]=4 239 B10R1.31 O=CC1=CC=C(C(C)=O)S1 M10064480P [0,2,0,0,0,0|0,1,0]=3 240 B10R1.58 O=C(C1=CC(C)=C(C)S1)O M10244028P [0,2,0,0,0,0|1,1,0]=4 241 B10R1.58 O=C(C1=CC(Cl)=C(Cl)S1)O M10212861P [0,2,0,0,0,0|1,1,0]=4 242 B10R1.59 CC(C1=C(C)SC(C)=C1)=O M10045050P [0,2,0,0,0,0|2,0,0]=4 243 B10R1.59 CC(C1=C(C)SC(N)=N1)=O M10242484P [0,2,0,0,0,0|2,0,0]=4 244 B10R1.59 O=C(C1=C(Br)C=C(Cl)S1)O M10316796P [0,2,0,0,0,0|1,1,0]=4 245 B10R1.59 O=C(C1=C(C)C=C(Br)S1)O M10235884P [0,2,0,0,0,0|1,1,0]=4 246 B10R1.59 O=C(C1=C(C)C=C(C)N1)O M10064053P [0,2,0,0,0,0|2,0,0]=4 247 B10R1.59 O=C(C1=CC(Br)=CN1C)O M11014124P [0,2,0,0,0,0|2,0,0]=4 248 B10R1.192 CC1=CNC(C)=C1C(C)=O M10043201P [0,2,0,0,0,0|2,0,0]=4 249 B8R1.4 O=C1C=CC=C(F)N1 M10254544P [0,0,1,1,0,0|2,0,0]=4 250 B8R1.4 OC1=CC(C)=CN=C1 M10249420P [0,0,1,1,0,0|2,0,0]=4 251 B8R1.4 OC1=CC(C)=NC=C1 M10156352P [0,0,1,1,0,0|2,0,0]=4 252 B8R1.4 OC1=CC=CC(Br)=N1 M10200451P [0,0,1,1,0,0|2,0,0]=4 253 B8R1.4 OC1=CC=CC(N)=C1 M10000176P [0,0,1,1,0,0|1,0,1]=4 254 B8R1.4 OC1=CC=CC(N)=C1 M10429719P [0,0,1,1,0,0|1,0,1]=4 255 B8R1.4 OC1=NC(C)=CN=C1 M10167116P [0,0,1,1,0,0|2,0,0]=4 256 B8R1.5 CC1=C(O)C=NC=C1 M10027206P [0,0,1,1,0,0|2,0,0]=4 257 B8R1.5 CC1=CC=CC=C1O M10205472P [0,0,1,1,0,0|1,0,0]=3 258 B8R1.5 CC1=NC=CC=C1Br M10237555P [0,0,1,1,0,0|2,0,0]=4 259 B8R1.5 CC1=NC=CC=C1Cl M10445941P [0,0,1,1,0,0|2,0,0]=4 260 B8R1.5 CC1=NC=CC=C1F M10139485P [0,0,1,1,0,0|2,0,0]=4 261 B8R1.5 O=C1C(O)=CC=CO1 M10012289P [0,0,1,1,0,0|1,0,0]=3 262 B8R1.5 O=C1C(O)=COC=C1 M10012288P [0,0,1,1,0,0|1,0,1]=4 263 B8R1.5 O=C1NC=NC=C1O M10138849P [0,0,1,1,0,0|2,0,0]=4 264 B8R1.5 OC1=CC=CC=C1N M10427921P [0,0,1,1,0,0|1,0,1]=4 265 B8R1.5 OC1=CC=CN=C1I M10242165P [0,0,1,1,0,0|2,0,0]=4 266 B10R2.320 O=C1C2=CC=CC=C2C1 M10054777P [0,0,0,1,0,1|1,0,0]=3 267 B10R2.32 O=C1CCC2=C1C=CS2 M10078627P [0,1,0,1,0,0|2,0,0]=4 268 B10R2.32 O=C1CCC2=C1SC=C2 M10078628P [0,1,0,1,0,0|0,1,0]=3 269 B8R1.2 COC1=NN=CC=C1 M10158813P [1,0,0,0,0,1|2,0,0]=4 270 B8R1.2 CSC1=NC=CC=N1 M10021362P [1,0,0,0,0,1|2,0,0]=4 271 B8R1.2 O=CC1=CC=NN=C1 M10256570P [1,0,0,0,0,1|2,0,0]=4 272 B8R1.2 O=CC1=CN=CN=C1 M10111797P [1,0,0,0,0,1|2,0,0]=4 273 B8R1.2 O=CC1=NC=NC=C1 M10043890P [1,0,0,0,0,1|1,0,0]=3 274 B8R1.2 O=CC1=NN=CC=C1 M10312358P [1,0,0,0,0,1|1,0,0]=3 275 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [0,0,0,0,0,2|1,0,0]=3 276 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [0,0,0,0,0,2|2,0,0]=4 277 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [0,0,0,0,0,2|2,0,0]=4 278 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [0,0,0,0,0,2|2,0,0]=4