0 B11R1.12 CO[C@H](C1=CC=CC=C1)CO M10150609P [0,0,0,0,0,0|1,0,3]=4 1 B11R1.12 N#C\C(C1=CC=CC=C1)=N\O M10021464P [0,0,0,0,0,0|2,0,2]=4 2 B11R1.12 O=CC(C1=NC=CC=C1)C=O M10835216P [0,0,0,0,0,0|2,0,1]=3 3 B11R1.12 O=C\C(C1=CC=CC=C1)=C\C M10062936P [0,0,0,0,0,0|0,0,0]=0 4 B10R1.15 BrCC(C1=CC=CN=C1)=O M10151041P [1,0,0,0,0,0|2,0,1]=4 5 B10R1.15 BrCC(C1=NC=CC=C1)=O M10150216P [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 C=CC(Cl)C1=CC=CC=C1 M10295196P [1,0,0,0,0,0|1,0,2]=4 7 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,0,0|0,0,1]=2 8 B10R1.15 CC(C1=CC=CC=C1)CBr M10031082P [1,0,0,0,0,0|1,0,2]=4 9 B10R1.15 CC(C1=CC=CC=C1)CN M10165660P [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [1,0,0,0,0,0|0,0,3]=4 11 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 M10082047P [1,0,0,0,0,0|1,0,2]=4 12 B10R1.15 ClCC(C1=CC=CN=C1)=O M10350662P [1,0,0,0,0,0|2,0,1]=4 13 B10R1.15 ClCC(C1=CC=CN=C1)=O M12276696P [1,0,0,0,0,0|2,0,1]=4 14 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [1,0,0,0,0,0|1,0,2]=4 15 B10R1.15 NCC(C)C1=CC=CC=C1 M10223405P [1,0,0,0,0,0|1,0,2]=4 16 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [1,0,0,0,0,0|1,0,1]=3 17 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 [O-]N(N=O)C1=CC=CC=C1 M12009619P [1,0,0,0,0,0|3,0,0]=4 19 B12R1.478 O=C(Cl)C(C1=CC=CC=C1)CC M10231818P [0,1,0,0,0,0|0,0,2]=3 20 B12R1.478 [S-]C(N(CC)C1=CC=CC=C1)=S M10132433P [0,1,0,0,0,0|1,1,1]=4 21 B12R2.1 BrCC1=CSC2=CC=CC=C21 M10028873P [0,0,0,1,0,0|1,1,1]=4 22 B12R2.1 CCN1C=NC2=CC=CC=C12 M10100362P [0,0,0,1,0,0|2,0,1]=4 23 B12R2.1 O=CC1=C2C=CC=CN2C=N1 M10289942P [0,0,0,1,0,0|2,0,1]=4 24 B12R2.1 O=CC1=CN=C2C=CC=CN21 M10084778P [0,0,0,1,0,0|2,0,0]=3 25 B12R2.1 O=CC1=CNC2=C1C=NC=C2 M10083647P [0,0,0,1,0,0|2,0,0]=3 26 B12R2.1 O=CC1=NNC2=C1C=CC=C2 M10069854P [0,0,0,1,0,0|2,0,0]=3 27 B12R2.1 OCC1=CNC2=C1C=CC=C2 M12278082P [0,0,0,1,0,0|1,0,2]=4 28 B12R2.2 C1(C2=CC=CC=C2)=CNC=N1 M10018045P [0,0,0,1,0,0|2,0,1]=4 29 B12R2.2 C1(C2=CC=CC=C2)=NCCO1 M10101172P [0,0,0,1,0,0|3,0,0]=4 30 B12R2.2 N1(C2=CC=CC=C2)C=CN=C1 M10102074P [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 CC(C1=CN=CN=C1)=O M10114103P [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(C1=NC=CC=N1)=O M10270086P [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 C[SiH](C)C1=CC=CC=C1 M10020227P [2,0,0,0,0,0|0,1,1]=4 34 B9R1.6 NC(C)C1=CC=CC=C1 M10209842P [2,0,0,0,0,0|1,0,1]=4 35 B9R1.6 O=C(Cl)C1=CC=CN=C1 M10114789P [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 O=C([O-])C1=CC=CC=C1 M10194531P [2,0,0,0,0,0|1,0,0]=3 37 B9R1.6 O=C([O-])C1=CN=CC=C1 M10404235P [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C([O-])C1=NC=CC=C1 M10138174P [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 O=C([O-])C1=NC=CC=C1 M10152479P [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 O=P(C1=CC=CC=C1)O M10036149P [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 O=P(C1=CC=CC=C1)[O-] M10191804P [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 O=S(C1=CC=CC=C1)O M10016337P [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 OC(C1=CC=CC=C1)=S M10002682P [2,0,0,0,0,0|1,0,1]=4 44 B9R1.8 COCC1=CC=CC=C1 M10013562P [2,0,0,0,0,0|1,0,1]=4 45 B9R1.8 O=C=NC1=CC=CC=C1 M10003095P [2,0,0,0,0,0|1,0,1]=4 46 B11R1.7 C=C[Si](C)(C)C1=CC=CC=C1 M10027419P [1,1,0,0,0,0|1,1,0]=4 47 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=O M10132504P [1,1,0,0,0,0|0,0,2]=4 48 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=O M10220208P [1,1,0,0,0,0|0,0,2]=4 49 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [1,1,0,0,0,0|0,0,0]=2 50 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [1,1,0,0,0,0|1,0,1]=4 51 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [1,1,0,0,0,0|0,0,1]=3 52 B11R1.16 O=C(C1=CC=CC=C1)\C=N\O M10013371P [1,1,0,0,0,0|1,0,0]=3 53 B11R1.16 O=C(NCO)C1=CN=CC=C1 M10055680P [1,1,0,0,0,0|2,0,0]=4 54 B11R1.16 O=C(OCCl)C1=CC=CC=C1 M10071312P [1,1,0,0,0,0|1,0,0]=3 55 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 M10076586P [1,1,0,0,0,0|1,0,1]=4 56 B11R1.22 ClC1=CC=C(C(CBr)=O)C=C1 M10794167P [1,1,0,0,0,0|1,0,1]=4 57 B11R1.22 ClC1=CC=C(C(CCl)=O)C=C1 M10023687P [1,1,0,0,0,0|1,0,1]=4 58 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl M11191642P [1,1,0,0,0,0|1,0,1]=4 59 B11R1.22 O=C(C1=CC=C(Cl)C=C1)C=O M10067853P [1,1,0,0,0,0|1,0,0]=3 60 B11R1.22 O=C(C1=CC=C(O)C=C1)CBr M12278098P [1,1,0,0,0,0|1,0,1]=4 61 B11R1.22 O=C(C1=COC(C=C1)=O)OC M10082895P [1,1,0,0,0,0|2,0,0]=4 62 B11R1.22 O=C(NN)C1=CC=C(Br)C=C1 M10082045P [1,1,0,0,0,0|2,0,0]=4 63 B11R1.22 O=C(OC)C1=CN=C(F)C=C1 M10030640P [1,1,0,0,0,0|2,0,0]=4 64 B11R1.22 O=C(OC)C1=CN=C(I)C=C1 M10801564P [1,1,0,0,0,0|2,0,0]=4 65 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 M10418114P [1,1,0,0,0,0|2,0,0]=4 66 B11R1.22 OC1=CC=C(C(CN)=O)C=C1 M10162282P [1,1,0,0,0,0|1,0,1]=4 67 B11R1.22 OC1=CC=C(C(CO)=O)C=C1 M10079470P [1,1,0,0,0,0|1,0,1]=4 68 B11R1.22 OCC(C1=CC=C(F)C=C1)=O M10010254P [1,1,0,0,0,0|1,0,1]=4 69 B11R1.23 ClC1=CC(C(CCl)=O)=CC=C1 M10172170P [1,1,0,0,0,0|1,0,1]=4 70 B11R1.23 O=C(C1=CC=CC(Br)=C1)C=O M10662193P [1,1,0,0,0,0|1,0,0]=3 71 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O M10805839P [1,1,0,0,0,0|1,0,0]=3 72 B11R1.23 O=C(C1=NC(I)=CC=C1)OC M10998655P [1,1,0,0,0,0|2,0,0]=4 73 B11R1.23 O=C(C1=NC=CC(N)=C1)OC M10443076P [1,1,0,0,0,0|2,0,0]=4 74 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 M10017942P [1,1,0,0,0,0|2,0,0]=4 75 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 M10838625P [1,1,0,0,0,0|2,0,0]=4 76 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 M10048910P [1,1,0,0,0,0|1,0,0]=3 77 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 M10016366P [1,1,0,0,0,0|1,0,0]=3 78 B11R1.23 O=C(OC)C1=CC=NC(C)=C1 M10145402P [1,1,0,0,0,0|2,0,0]=4 79 B11R1.23 O=C(OC)C1=CC=NC(I)=C1 M10738540P [1,1,0,0,0,0|2,0,0]=4 80 B11R1.23 O=C(OC)C1=CN=CC(N)=C1 M10229499P [1,1,0,0,0,0|2,0,0]=4 81 B11R1.23 O=C(OC)C1=NC=CC(Br)=C1 M10207050P [1,1,0,0,0,0|2,0,0]=4 82 B11R1.23 O=C(OC)C1=NC=CC(Cl)=C1 M10185148P [1,1,0,0,0,0|2,0,0]=4 83 B11R1.23 O=C(OC)C1=NC=CC(Cl)=C1 M10805680P [1,1,0,0,0,0|2,0,0]=4 84 B11R1.23 O=C(OO)C1=CC=CC(Cl)=C1 M10023683P [1,1,0,0,0,0|2,0,0]=4 85 B11R1.23 OC1=CC(C(CBr)=O)=CC=C1 M10044570P [1,1,0,0,0,0|1,0,1]=4 86 B11R1.36 CC(C)C(C1=CC=CC=C1)=O M10015939P [1,1,0,0,0,0|0,0,1]=3 87 B11R1.36 CC(F)C(C1=CC=CC=C1)=O M10168847P [1,1,0,0,0,0|0,0,1]=3 88 B11R1.36 O=C(N(C)C)C1=CC=CC=C1 M10015943P [1,1,0,0,0,0|1,0,0]=3 89 B11R1.222 CC1=CC=CC=C1C(CBr)=O M10257084P [1,1,0,0,0,0|1,0,1]=4 90 B11R1.222 CCC(C1=CC=CC=C1O)=O M10015895P [1,1,0,0,0,0|0,0,1]=3 91 B11R1.222 O=C(C#N)C1=CC=CC=C1C M10082249P [1,1,0,0,0,0|1,0,1]=4 92 B11R1.222 O=C(C1=CC=CNC1=O)OC M10112204P [1,1,0,0,0,0|2,0,0]=4 93 B11R1.222 O=C(NC)C1=CC=CC=C1N M10060394P [1,1,0,0,0,0|1,0,0]=3 94 B11R1.222 O=C(NC)C1=CC=CC=C1S M10164094P [1,1,0,0,0,0|1,0,0]=3 95 B11R1.222 O=C(OC)C1=C(Br)N=CC=C1 M10266614P [1,1,0,0,0,0|2,0,0]=4 96 B11R1.222 O=C(OC)C1=C(I)N=CC=C1 M10033834P [1,1,0,0,0,0|2,0,0]=4 97 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 M10424969P [1,1,0,0,0,0|2,0,0]=4 98 B11R1.222 O=C(OC)C1=CC=CC=C1Br M10015892P [1,1,0,0,0,0|1,0,0]=3 99 B11R1.222 O=C(OC)C1=CC=NC=C1Br M10309681P [1,1,0,0,0,0|2,0,0]=4 100 B11R1.222 O=C(OC)C1=CC=NC=C1N M10281523P [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 O=C(OC)C1=CC=NC=C1O M10112202P [1,1,0,0,0,0|2,0,0]=4 102 B11R1.222 O=C(OC)C1=CN=CC=C1C M10220278P [1,1,0,0,0,0|2,0,0]=4 103 B11R1.222 O=C(OC)C1=CN=CC=C1N M10140869P [1,1,0,0,0,0|2,0,0]=4 104 B11R1.222 O=C(OC)C1=CN=CC=C1O M10424883P [1,1,0,0,0,0|2,0,0]=4 105 B13R1.405 O=CO[C@H](C1=CC=CC=C1)C(Cl)=O M10205247P [0,2,0,0,0,0|1,0,1]=4 106 B13R1.713 O=C\C(C1=CC=CC=C1)=C\C(C)C M10194762P [0,2,0,0,0,0|0,0,0]=2 107 B13R1.3085 CCC(C1=CC=CC=C1)(N)C(O)=O M10074689P [0,2,0,0,0,0|0,0,2]=4 108 B11R2.1 CC1=COC2=CC=CC=C12 M10170730P [1,0,0,1,0,0|0,0,1]=3 109 B11R2.1 CC1=NNC2=C1C=CC=C2 M10051935P [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1 CN1C2=CC=CC=C2N=C1 M10033964P [1,0,0,1,0,0|2,0,0]=4 111 B11R2.1 O=C1C2=CC=CC=C2SC1 M10004884P [1,0,0,1,0,0|1,0,1]=4 112 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [1,0,0,1,0,0|1,0,1]=4 113 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [1,0,0,1,0,0|1,0,1]=4 114 B11R2.1 O=C1NCC2=NC=CC=C21 M10241661P [1,0,0,1,0,0|2,0,0]=4 115 B11R2.1 OC1=CNC2=C1C=CC=C2 M10011825P [1,0,0,1,0,0|1,0,1]=4 116 B11R2.988 OCC1=CC2=CC=CC=C12 M10134953P [1,0,0,1,0,0|0,0,2]=4 117 B13R2.45 N#CC=1NC2=C(C1C)C=CC=C2 M10119722P [0,0,0,1,0,1|1,0,1]=4 118 B13R2.45 O=CC1=NC2=CC=CC=C2N1C M10050166P [0,0,0,1,0,1|1,0,0]=3 119 B13R2.45 O=CC1=NC2=CC=CN=C2N1C M12277224P [0,0,0,1,0,1|2,0,0]=4 120 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 M10021537P [0,0,0,1,0,1|1,0,1]=4 121 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 M10208393P [0,0,0,1,0,1|1,0,1]=4 122 B13R2.1 NCCC1=CNC2=C1C=CC=C2 M10008692P [0,1,0,1,0,0|1,0,1]=4 123 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 M10250419P [0,1,0,1,0,0|1,0,1]=4 124 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 M10624343P [0,1,0,1,0,0|1,0,1]=4 125 B13R2.3 C1(C2=CC=CC=C2)=NC=CC=C1 M10861456P [0,1,0,1,0,0|1,0,1]=4 126 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 M10206379P [0,1,0,1,0,0|1,0,1]=4 127 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)O1 M10728684P [0,1,0,1,0,0|2,0,0]=4 128 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 M10021530P [0,1,0,1,0,0|2,0,0]=4 129 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 M10357947P [0,1,0,1,0,0|2,0,0]=4 130 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 M10027526P [0,1,0,1,0,0|1,0,1]=4 131 B13R2.1613 COC1=CC=NC2=CC=CC=C12 M10015699P [0,1,0,1,0,0|2,0,0]=4 132 B13R2.1613 O=CC1=CN=CC2=C1C=CN=C2 M10113650P [0,1,0,1,0,0|1,0,1]=4 133 B13R2.662 O=CC1=CNC2=C1C=CC(C)=C2 M10066142P [0,1,0,1,0,0|1,0,0]=3 134 B13R2.662 O=CC1=CNC2=C1C=NC(Cl)=C2 M11090913P [0,1,0,1,0,0|2,0,0]=4 135 B13R2.662 O=CC1=NNC2=C1C=CC(Br)=C2 M10019507P [0,1,0,1,0,0|2,0,0]=4 136 B13R2.9 O=CC1=CNC2=C1C=CC=C2Br M10698315P [0,1,0,1,0,0|1,0,0]=3 137 B13R2.9 O=CC1=CNC2=C1C=CC=C2C M10066143P [0,1,0,1,0,0|1,0,0]=3 138 B13R2.9 O=CC1=CNC2=C1C=CC=C2Cl M10025101P [0,1,0,1,0,0|1,0,0]=3 139 B13R2.9 O=CC1=CNC2=C1C=CC=C2F M10724581P [0,1,0,1,0,0|1,0,0]=3 140 B13R2.2136 O=CC1=CN=C2C=CC(Cl)=CN21 M10204921P [0,1,0,1,0,0|2,0,0]=4 141 B13R2.2136 O=CC1=CNC2=C1C=C(C)C=C2 M10265866P [0,1,0,1,0,0|1,0,0]=3 142 B13R2.2136 O=CC1=CNC2=C1C=C(Cl)N=C2 M11105975P [0,1,0,1,0,0|2,0,0]=4 143 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 M10042601P [0,1,0,1,0,0|1,0,0]=3 144 B13R2.2136 O=CC1=CNC2=C1C=C(O)C=C2 M10054228P [0,1,0,1,0,0|1,0,0]=3 145 B13R2.2136 O=CC1=CNC2=NC=C(Br)C=C21 M10951077P [0,1,0,1,0,0|2,0,0]=4 146 B13R2.2136 O=CC1=NNC2=C1C=C(Br)C=C2 M10829414P [0,1,0,1,0,0|2,0,0]=4 147 B13R2.135 N#CC1=C(C)NC2=C1C=CC=C2 M10257436P [0,1,0,1,0,0|1,0,1]=4 148 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O M10015697P [0,1,0,1,0,0|2,0,0]=4 149 B13R2.2091 O=CC1=CNC2=C1C(C)=CC=C2 M10066141P [0,1,0,1,0,0|1,0,0]=3 150 B13R2.2091 O=CC1=CNC2=C1C(F)=CC=C2 M10178268P [0,1,0,1,0,0|1,0,0]=3 151 B13R2.72 CC(C1=NNC2=C1C=CC=C2)=O M10063932P [0,1,0,1,0,0|2,0,0]=4 152 B13R2.72 O=C(C1=C2C=CC=CN2N=C1)O M10141313P [0,1,0,1,0,0|2,0,0]=4 153 B13R2.72 O=C(C1=COC2=CC=CC=C12)O M10194324P [0,1,0,1,0,0|1,0,0]=3 154 B13R2.72 O=C(C1=NNC2=C1C=CC=C2)N M10588264P [0,1,0,1,0,0|2,0,0]=4 155 B13R2.72 O=C(C1=NOC2=C1C=CC=C2)O M10203223P [0,1,0,1,0,0|2,0,0]=4 156 B13R2.72 O=C(C1CCC2=C1C=CC=C2)N M10221350P [0,1,0,1,0,0|0,0,2]=4 157 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O M10130766P [0,1,0,1,0,0|0,0,2]=4 158 B13R2.72 O=C(Cl)C1=CNC2=C1C=CC=C2 M10307804P [0,1,0,1,0,0|1,0,0]=3 159 B13R2.72 O=[N+](C1=CNC2=C1C=CC=C2)[O-] M10066119P [0,1,0,1,0,0|2,0,0]=4 160 B9R1.11 O=C(C1=CC=CO1)SC M10125734P [1,0,0,0,1,0|2,0,0]=4 161 B9R1.11 O=C(C1=CC=CS1)OC M10072317P [1,0,0,0,1,0|2,0,0]=4 162 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [1,0,0,0,0,1|0,0,1]=3 163 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [1,0,0,0,0,1|0,0,1]=3 164 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,0,1|0,0,1]=3 165 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [1,0,0,0,0,1|1,0,1]=4 166 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,0,0,0,1|1,0,1]=4