0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.86 NC1=C(OC(F)F)C=CC=C1 10011 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 17121 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.157 CC(=O)OC1=CC(=O)CCC1 19982 [0,1,0,0,0,0|0,0,3]=4 38 B11R1.157 N(C(C)=O)C1=NC(C)=CC=C1 20549 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.509 O=S(=O)(Cl)OC1=CC=CC=C1 100229 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [0,1,0,0,0,0|3,0,0]=4 44 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [0,0,0,1,0,0|2,0,0]=3 45 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [0,0,0,1,0,0|1,1,0]=3 47 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [0,0,0,1,0,0|2,1,0]=4 48 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [0,0,0,1,0,0|1,1,0]=3 49 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [0,0,0,1,0,0|2,0,1]=4 50 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [0,0,0,0,1,0|2,1,0]=4 52 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,0,0,0,1,0|1,0,0]=2 53 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.13 N(C(C)=O)C1=NC=CS1 20692 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,0,0,0,0,1|2,0,0]=3 56 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,0,0,0,0,1|2,0,1]=4 58 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.91 O=[N+]([O-])NNC1=CC=CC=C1 22288 [0,0,0,0,0,1|3,0,0]=4 62 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|1,0,1]=4 63 B8R0.7 C\C=C\C=C\C=C(C)C 102628 [1,0,1,0,0,0|1,0,1]=4 64 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|0,0,1]=3 65 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.17 O=CNNC1=CC=CC=C1 16370 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.61 CC1=C(C(N)=O)C=NC=C1 15751 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,1,0,0,1,0|1,0,0]=3 90 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,1,0,0,1,0|1,0,0]=3 91 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,1,0,0,1,0|1,0,0]=3 92 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.61 O=C(O)C1=C(F)C=NC=C1 100632 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.61 O=C(O)C1=C(F)N=CC=C1 100686 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,1,0,0,1,0|1,0,0]=3 97 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.61 O=C(O)C1=CC=NC=C1Cl 100086 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 15663 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,1,0,0,1,0|1,0,0]=3 103 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,1,0,0,1,0|1,0,0]=3 105 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,1,0,0,0,1|1,0,0]=3 112 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.27 C\C=C(\C)C#CC1=CC=CC=C1 103071 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,1,0,0,0,1|1,0,0]=3 115 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,0,1|1,0,0]=3 119 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.125 CC(=O)NCC1=C(C)C=CN=C1 15651 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,1,0,0,0,1|0,0,0]=2 122 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.4 C=CC1=CC=C(NC(C)=O)C=C1 13490 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 17118 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 17125 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 12756 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.49 CSC(S)=NC1=CC=C(Br)C=C1 21460 [0,2,0,0,0,0|1,1,0]=4 131 B12R1.49 CSC(S)=NC1=CC=C(C)C=C1 21456 [0,2,0,0,0,0|1,1,0]=4 132 B12R1.49 CSC(S)=NC1=CC=C(Cl)C=C1 21455 [0,2,0,0,0,0|1,1,0]=4 133 B12R1.49 CSC(S)=NC1=CC=C(N)C=C1 21457 [0,2,0,0,0,0|1,1,0]=4 134 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C 17120 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1O 20863 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.233 N(C(C)=O)C1=C(Cl)C=C(Br)C=C1 20543 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.34 C\C(=C\N)C(=O)C1=CC=CC=C1 13309 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 12619 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.253 CC(F)(C(=O)O)C1=CC=CC=C1 102146 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.253 CC(F)(C(N)=O)C1=CC=CC=C1 101107 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.253 CC(O)(C(N)=O)C1=CC=CC=C1 101105 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 12772 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.478 C\C(O)=C(\C#N)C1=CC=CC=C1 11876 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.478 [NH3+]CC(C(=O)O)C1=CC=CC=C1 100283 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.371 CSC(S)=NC1=C(C)C=CC=C1 21463 [0,2,0,0,0,0|1,1,0]=4 149 B12R1.75 CCC1=CC=CC=C1NC(C)=O 17109 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.75 COC1=CC=CC=C1NC(C)=O 17112 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.127 CC(=O)NC1=C(Cl)C=CC(C)=C1 10901 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.127 CC(=O)NC1=CC(C)=CC=C1C 17107 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.127 CC(=O)NC1=CC(Cl)=CC=C1C 17119 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.127 CC(=O)NC1=CC(Cl)=CC=C1Cl 17124 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 20758 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.127 O=C(O)CC1=CC(F)=CC=C1F 102974 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.224 CC(=O)NC1=CC=CC(C)=C1C 17106 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1C 17117 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1Cl 17123 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.1009 CC(=O)NC1=C(C)C=CC=C1C 17108 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.119 N(C1=CC=CC(F)=C1)S(C)(=O)=O 20478 [0,2,0,0,0,0|2,0,0]=4 162 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|1,0,1]=4 163 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,0]=3 164 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [0,0,0,1,0,1|2,0,0]=4 165 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,0,1,0,1|2,0,0]=4 166 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,1,0,1|0,0,0]=2 167 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,1,0,1|1,1,0]=4 168 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [0,0,0,1,0,1|2,0,0]=4 169 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,1,0,1,0,0|1,0,1]=4 170 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,1,0,0|1,0,1]=4 173 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|1,0,1]=4 174 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,1,0,1,0,0|1,0,0]=3 175 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,1,0,1,0,0|1,0,1]=4 176 B12R2.32 N#CC1=CC2=CC=CC=C2C1 16646 [0,1,0,1,0,0|2,0,0]=4 177 B12R2.95 O=S1(=O)CC2=CC=CC=C2C1 16358 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.7 NC(=O)C1=CC=CO1 16899 [0,0,0,0,2,0|2,0,0]=4 179 B8R1.7 O=C(O)C1=CSC=C1 1212 [0,0,0,0,2,0|2,0,0]=4 180 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [0,0,0,0,0,2|1,0,0]=3 181 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [0,0,0,0,0,2|2,0,0]=4 182 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [0,0,0,0,0,2|2,0,0]=4 183 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 20474 [0,0,0,0,0,2|2,0,0]=4 184 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [0,0,0,0,0,2|2,0,0]=4 185 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [0,0,0,0,0,2|1,1,0]=4