0 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 16615 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 100183 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=N2 1326 [0,0,0,0,0,0|1,0,0]=1 3 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=NC=C2 18671 [0,0,0,0,0,0|1,0,0]=1 4 B15R2.2226 O=C(C1=CC=CC=C1)C2=CN=CC=C2 1325 [0,0,0,0,0,0|1,0,0]=1 5 B15R2.2226 O=[Se](C1=CC=CC=C1)C2=CC=CC=C2 13678 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.2226 O=[Te](C1=CC=CC=C1)C2=CC=CC=C2 13682 [0,0,0,0,0,0|1,0,0]=1 7 B16R2.120 CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 17090 [0,1,0,0,0,0|0,0,0]=1 8 B16R2.120 CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 18190 [0,1,0,0,0,0|0,0,0]=1 9 B16R2.120 CC1=CC=C(C(O)C2=CC=CC=C2)C=C1 18213 [0,1,0,0,0,0|0,0,2]=3 10 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(Br)C=C2 18212 [0,1,0,0,0,0|0,0,0]=1 11 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 17093 [0,1,0,0,0,0|0,0,0]=1 12 B16R2.120 OC(C1=CC=CC=C1)C2=CC=C(Br)C=C2 18202 [0,1,0,0,0,0|0,0,2]=3 13 B16R2.187 ON=C(C1=CC=CC=C1)C2=CC=CC=C2 15707 [0,1,0,0,0,0|0,0,1]=2 14 B16R2.187 [NH3+]CC(C1=CC=CC=C1)C2=CC=CC=C2 12600 [0,1,0,0,0,0|1,0,1]=3 15 B16R2.187 [NH3+]CC(C1=CC=CC=C1)C2=CC=CC=C2 12601 [0,1,0,0,0,0|1,0,1]=3 16 B16R2.236 CC1=CC(C(O)C2=CC=CC=C2)=CC=C1 16215 [0,1,0,0,0,0|0,0,2]=3 17 B16R2.236 O=C(C1=CC=CC(Cl)=C1)C2=CN=CC=C2 1327 [0,1,0,0,0,0|1,0,0]=2 18 B16R2.2945 CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 18341 [0,1,0,0,0,0|1,0,0]=2 19 B16R2.2945 Cl[Sn](Cl)(C1=CC=CC=C1)C2=CC=CC=C2 1205 [0,1,0,0,0,0|2,0,0]=3 20 B16R2.2945 NP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 19801 [0,1,0,0,0,0|1,0,0]=2 21 B16R2.2945 O=P(F)(C1=CC=CC=C1)C2=CC=CC=C2 100802 [0,1,0,0,0,0|1,0,0]=2 22 B16R2.2945 O=P(O)(C1=CC=CC=C1)C2=CC=CC=C2 18677 [0,1,0,0,0,0|1,0,0]=2 23 B16R2.3896 C=C(C1=CC=CC=C1)C2=CC=CC=C2N 20915 [0,1,0,0,0,0|1,0,0]=2 24 B16R2.3896 OC1=CC=CC=C1C(O)C2=CC=CC=C2 13688 [0,1,0,0,0,0|0,0,2]=3 25 B16R3.1783 C1=CC=C(C2CC3=CC=CC=C32)C=C1 16572 [0,0,0,1,0,0|1,0,1]=3 26 B16R3.1783 C1=CC=C2C(=C1)CC2C3=NC=CC=C3 16605 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.114 O=C(C1=CC=CC=C1)C2=CN=NS2 10110 [0,0,0,0,1,0|3,0,0]=4 28 B14R2.114 O=C(C1=CN=CC=C1)C2=CSC=C2 1319 [0,0,0,0,1,0|2,0,0]=3 29 B16R2.88 C\C(=N/C1=CC=CC=C1)C2=CC=CC=C2 19938 [0,0,0,0,0,1|1,0,0]=2 30 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 17196 [0,0,0,0,0,1|0,0,0]=1 31 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=CC=C2 19704 [0,0,0,0,0,1|0,0,0]=1 32 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 18655 [0,0,0,0,0,1|0,1,0]=2 33 B15R2.29 NC1=CC=C(NC2=CC=CC=C2)C=C1 20777 [1,1,0,0,0,0|1,0,0]=3 34 B15R2.31 CC1=CC=CC(CC2=CC=CC=C2)=C1 102398 [1,1,0,0,0,0|0,0,1]=3 35 B15R2.38 O=C1C=CCC\C1=C/C2=CC=CC=C2 13207 [1,1,0,0,0,0|0,0,2]=4 36 B17R2.162 N#CC(NC1=CC=CC=C1)C2=CC=CC=C2 14930 [0,1,0,0,0,1|1,0,1]=4 37 B17R2.162 N#C\C(=C\C1=CC=CC=C1)C2=CC=CC=C2 17194 [0,1,0,0,0,1|1,0,0]=3 38 B17R2.209 CC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 19699 [0,1,0,0,0,1|0,0,0]=2 39 B17R2.209 CC1=CC=C(OC(=O)C2=CC=CC=C2)C=C1 19708 [0,1,0,0,0,1|0,0,0]=2 40 B17R2.209 C[N+]1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 823 [0,1,0,0,0,1|1,0,0]=3 41 B17R2.3417 NC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2 11248 [0,1,0,0,0,1|1,0,0]=3 42 B17R2.3426 NC1=CC=CC=C1NC(=O)C2=CC=CC=C2 11304 [0,1,0,0,0,1|0,0,0]=2 43 B17R2.3426 NC1=CC=CC=C1SC(=O)C2=CC=CC=C2 19714 [0,1,0,0,0,1|0,0,0]=2 44 B17R2.5273 NC1=CC([N+]([O-])=NC2=CC=CC=C2)=CC=C1 11649 [0,1,0,0,0,1|1,0,1]=4 45 B17R2.5293 CC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 19701 [0,1,0,0,0,1|0,0,0]=2 46 B17R2.10205 Br[C@@H](C1=CC=CC=C1)[C@H](Br)C2=CC=CC=C2 17305 [0,1,0,0,0,1|1,0,1]=4 47 B17R2.10205 Br\C(C1=CC=CC=C1)=C(/Br)C2=CC=CC=C2 10898 [0,1,0,0,0,1|1,0,0]=3 48 B17R2.10205 CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2 12261 [0,1,0,0,0,1|1,0,1]=4 49 B17R2.10205 C\C(C1=CC=CC=C1)=C(/C)C2=CC=CC=C2 20219 [0,1,0,0,0,1|1,0,0]=3 50 B17R2.10205 FC(C1=CC=CC=C1)C(F)C2=CC=CC=C2 101846 [0,1,0,0,0,1|1,0,1]=4 51 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 20302 [0,1,0,0,0,1|0,0,2]=4 52 B17R2.10205 N\C(C1=CC=CC=C1)=C(/N)C2=CC=CC=C2 11007 [0,1,0,0,0,1|1,0,0]=3 53 B17R2.10205 N\C(C1=CC=CC=C1)=C(/N)C2=CC=CC=C2 11105 [0,1,0,0,0,1|1,0,0]=3 54 B17R2.10205 O=C(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 18180 [0,1,0,0,0,1|0,0,0]=2 55 B17R2.10205 O=C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 18203 [0,1,0,0,0,1|0,0,0]=2 56 B17R2.10205 O[C@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 18178 [0,1,0,0,0,1|0,0,2]=4 57 B17R2.10205 [NH3+]C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 737 [0,1,0,0,0,1|0,0,2]=4 58 B17R2.10205 [NH3+]\C(C1=CC=CC=C1)=C(\[NH3+])C2=CC=CC=C2 11104 [0,1,0,0,0,1|1,0,0]=3 59 B17R2.20249 C[P@@+]([O-])(CC1=CC=CC=C1)C2=CC=CC=C2 18407 [0,1,0,0,0,1|1,0,1]=4 60 B17R2.20249 NP(=O)(OC1=CC=CC=C1)C2=CC=CC=C2 19760 [0,1,0,0,0,1|1,0,0]=3 61 B17R2.68 COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 17089 [0,2,0,0,0,0|0,0,0]=2 62 B17R2.219 NC1=C(N)C=C(C(=O)C2=CC=CC=C2)C=C1 20918 [0,2,0,0,0,0|0,0,0]=2 63 B17R2.291 ON=C(C1=CC=CC=C1)C2=CC=C(O)C=C2 20651 [0,2,0,0,0,0|0,0,1]=3 64 B17R2.291 O\N=C(\C1=CC=CC=C1)C2=CC=C(Cl)C=C2 20534 [0,2,0,0,0,0|0,0,1]=3 65 B17R2.381 CC1=CC=C(C(O)C2=CC=CC=C2O)C=C1 13689 [0,2,0,0,0,0|0,0,2]=4 66 B17R2.5362 NC1=C(C(O)C2=CC=CC=C2)C=CC(Br)=C1 10706 [0,2,0,0,0,0|0,0,2]=4 67 B17R2.2712 C#CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 101080 [0,2,0,0,0,0|0,0,2]=4 68 B17R2.5711 CN(C)C(C1=CC=CC=C1)C2=CC=CC=C2 16082 [0,2,0,0,0,0|1,0,1]=4 69 B17R2.5711 O=C(O)C(C1=CC=CC=C1)C2=CC=CC=C2 12283 [0,2,0,0,0,0|0,0,1]=3 70 B17R2.5356 CC1=CC=C(O)C(C(O)C2=CC=CC=C2)=C1 13685 [0,2,0,0,0,0|0,0,2]=4 71 B17R2.20511 C=C(C1=CC=CC=C1Cl)C2=CC=CC=C2Cl 101086 [0,2,0,0,0,0|1,0,0]=3 72 B17R2.20511 O=C(C1=CC=CC=C1Cl)C2=CC=CC=C2Br 101084 [0,2,0,0,0,0|0,0,0]=2 73 B17R2.20511 OC(C1=CC=CC=C1Cl)C2=CC=CC=C2Br 101115 [0,2,0,0,0,0|0,0,2]=4 74 B17R2.20511 OC(C1=CC=CC=C1Cl)C2=CC=CC=C2Cl 101087 [0,2,0,0,0,0|0,0,2]=4 75 B15R2.7960 CC1(C2=CC=CC=C2)C=CC=CC=C1 20210 [0,0,1,1,0,0|1,0,1]=4 76 B15R2.8627 BrC1=CC=CC=C(Br)C2=CC=CC=C12 15004 [0,0,1,1,0,0|2,0,0]=4 77 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)C2 1133 [1,0,0,1,0,0|0,0,1]=3 78 B15R3.173 O=C1C2=CC=CN2C3=C1C=CC=C3 102867 [0,0,0,1,1,0|1,0,0]=3 79 B17R3.1939 C1=CC=C(CC2CC3=CC=CC=C32)C=C1 16575 [0,0,0,1,0,1|1,0,1]=4 80 B17R3.3135 ClC1(C2=CC=CC=C2)CC3=CC=CC=C31 16593 [0,0,0,1,0,1|1,0,1]=4 81 B17R3.3135 OC1(C2=CC=CC=C2)CC3=CC=CC=C31 16160 [0,0,0,1,0,1|0,0,2]=4 82 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3C2)C=C1 16661 [0,0,0,1,0,1|1,0,0]=3 83 B17R3.8708 C1=CC=C(C2CC3=CC=CC=C3N2)C=C1 10679 [0,0,0,1,0,1|1,0,1]=4 84 B17R3.8708 C1=CC=C(N2N=C3C=CC=CC3=N2)C=C1 10757 [0,0,0,1,0,1|2,0,0]=4 85 B17R3.8708 C1=CC=C2NC(C3=NC=CC=C3)=NC2=C1 18540 [0,0,0,1,0,1|2,0,0]=4 86 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 102368 [0,1,0,1,0,0|2,0,0]=4 87 B17R3.221899 C[Si]1(C)C2=CC=CC=C2C3=CC=CC=C31 100225 [0,1,0,1,0,0|1,1,0]=4 88 B17R3.35227 CN1C2=CC=CC=C2SC3=C1C=CC=C3 15075 [0,1,0,1,0,0|2,0,0]=4 89 B17R3.35227 O=C1C2=C(C=CC=C2)OC3=C1C=CC=N3 1317 [0,1,0,1,0,0|1,0,0]=3 90 B17R3.35227 O=C1C2=C(C=CC=C2)SC3=C1C=CC=N3 1316 [0,1,0,1,0,0|1,0,0]=3 91 B17R3.35227 O=C1C2=CC=CC=C2C=C3C=CC=CN13 16279 [0,1,0,1,0,0|1,0,0]=3 92 B17R3.35227 O=C1C2=CC=CC=C2CC3C=CC=CN13 16281 [0,1,0,1,0,0|1,0,1]=4 93 B17R3.35227 O=C1C2=CC=CC=C2SC3=C1C=CC=C3 13652 [0,1,0,1,0,0|0,0,0]=2 94 B17R3.35227 O=C1C2=CC=CC=C2[Te]C3=C1C=CC=C3 13651 [0,1,0,1,0,0|0,0,0]=2 95 B17R3.35227 OC1C2=C(C=CC=C2)CC3=C1C=CC=C3 17182 [0,1,0,1,0,0|0,0,2]=4 96 B17R3.35227 OC1C2=CC=CC=C2[Se]C3=C1C=CC=C3 13650 [0,1,0,1,0,0|0,0,2]=4 97 B17R3.35227 OC1C2=CC=CC=C2[Te]C3=C1C=CC=C3 13649 [0,1,0,1,0,0|0,0,2]=4 98 B13R2.3 C1=CC=C(C2=NC=CC=C2)N=C1 1202 [1,0,0,0,1,0|2,0,0]=4 99 B13R2.3 C1=CC=C(C2=NC=CC=C2)N=C1 14378 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.2195 C(#CC1=CC=CC=C1)C2=CC=CC=C2 12331 [1,0,0,0,0,1|0,0,1]=3 101 B15R2.2195 C1=CC=C(C=NC2=CC=CC=C2)C=C1 20232 [1,0,0,0,0,1|0,0,0]=2 102 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 11057 [1,0,0,0,0,1|0,0,1]=3 103 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 15741 [1,0,0,0,0,1|0,0,1]=3 104 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 102201 [1,0,0,0,0,1|0,0,1]=3 105 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 102523 [1,0,0,0,0,1|0,0,1]=3 106 B15R2.2195 C1=CC=C(\C=C/C2=CN=CC=C2)C=C1 100604 [1,0,0,0,0,1|1,0,0]=3 107 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 11094 [1,0,0,0,0,1|0,0,0]=2 108 B15R2.2195 C1=CC=C(\C=C\C2=CC=NC=C2)C=C1 102100 [1,0,0,0,0,1|1,0,0]=3 109 B17R2.143 BrC(CC1=CC=CC=C1)CC2=CC=CC=C2 11736 [0,0,0,0,0,2|1,0,1]=4 110 B17R2.143 O=C(NC1=CC=CC=C1)NC2=CC=CC=C2 10889 [0,0,0,0,0,2|0,0,0]=2 111 B17R2.143 O=S(CC1=CC=CC=C1)CC2=CC=CC=C2 16354 [0,0,0,0,0,2|1,0,0]=3 112 B17R2.143 S=C(OC1=CC=CC=C1)OC2=CC=CC=C2 18422 [0,0,0,0,0,2|0,1,0]=3 113 B17R2.2342 BrC(=NNC1=CC=CC=C1)C2=CC=CC=C2 20149 [0,0,0,0,0,2|1,0,0]=3 114 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 19697 [0,0,0,0,0,2|0,0,0]=2 115 B17R2.2342 O=C(NNC1=CC=CC=C1)C2=CC=CC=C2 20618 [0,0,0,0,0,2|0,0,0]=2 116 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 103174 [0,0,0,0,0,2|0,0,0]=2 117 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 10787 [0,0,0,0,0,2|0,0,0]=2 118 B17R2.2342 ON(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 12730 [0,0,0,0,0,2|1,0,1]=4