0 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 D88103 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 73463 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 AT24114 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 AT24126 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 C11064 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.57 COC1=CC2=C(C=C1)NCCN2 C72325 [0,0,0,0,0,0|1,0,3]=4 7 B13R2.57 COC1=CC2=NC=NC=C2C=C1 76421 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.57 CSC1=NC2=CC=CC=C2C=C1 H11532 [0,0,0,0,0,0|2,1,0]=3 9 B13R2.57 ClCC1=CC2=NC=CC=C2C=C1 AT24125 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.57 ClCC1=CC2=NC=CN=C2C=C1 72442 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.57 ClCC1=CC2=NC=CN=C2C=C1 W10401 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.57 N#CC1=NC2=CC=CN=C2C=C1 F15617 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 56109 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 NCC1=CC=C2C=NC=CC2=C1 N10568 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 F21338 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 78667 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.57 O=CC1=CC2=CN=CN=C2C=C1 72281 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 AT24124 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 ClC1=CC2=CN=CN=C2C=N1 O11585 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 NC1=CC2=CC=CN=C2N=C1 N10431 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [1,0,0,0,0,0|1,0,0]=2 23 B12R2.24 NC1=NC2=NC=CN=C2C=C1 SC3091 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [1,0,0,0,0,0|1,0,1]=3 25 B12R2.24 O=C1C=NC2=C(C=CC=N2)N1 F14289 [1,0,0,0,0,0|2,0,1]=4 26 B14R2.92 COC1=C(Br)C2=CC=NC=C2C=C1 F14395 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.92 COC1=C(Br)C2=CN=CC=C2C=C1 59976 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.92 NC1=C(CO)C=CC2=CC=CC=C21 AC7220 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.92 O=CC1=C(Cl)C2=CC=CN=C2C=C1 I11195 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C15255 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C78028 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.112 OCCC1=CC2=NC=CN=C2C=C1 80745 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AT10297 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.134 CC1=CC=C2C=CC(CF)=CC2=C1 91803 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)N2 F15809 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.134 COC1=CC2=C(C=C1)CNC(=O)C2 54449 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.134 COC1=CC2=C(C=C1)COC(=O)N2 AC3130 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 AC6243 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 F53567 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.134 COC1=CC2=C(C=CC(=O)N2)N=C1 91723 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.134 COC1=CC2=CC(N)=NC=C2C=C1 68513 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92061 [0,1,0,0,0,0|1,0,0]=2 43 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92063 [0,1,0,0,0,0|1,0,0]=2 44 B14R2.134 COC1=CC=C2C=CC(F)=CC2=C1 N14594 [0,1,0,0,0,0|1,0,0]=2 45 B14R2.134 COC1=CC=C2C=NC(Cl)=CC2=C1 79131 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 C71683 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.134 COC1=NC=C2C=CC(Br)=CC2=C1 C91004 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.134 N#CC1=CC=C2N=CC(Br)=CC2=C1 95700 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.142 BrCC1=CC=C2C=CC=C(Br)C2=C1 97677 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.142 COC1=CC2=C(C=C1)COCC2=O 96402 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.142 COC1=CC2=C(C=C1)SCCC2=O 90743 [0,1,0,0,0,0|1,0,2]=4 52 B14R2.142 COC1=CC2=C(C=CNC2=O)C=C1 F51356 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.142 COC1=CC=C2C=CC=C(Br)C2=N1 D73419 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=C1 N14592 [0,1,0,0,0,0|1,0,0]=2 55 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 74481 [0,1,0,0,0,0|1,0,0]=2 56 B14R2.142 COC1=CC=C2C=CN=C(Cl)C2=C1 79316 [0,1,0,0,0,0|2,0,0]=3 57 B14R2.142 COC1=CC=C2N=CC=C(I)C2=C1 52456 [0,1,0,0,0,0|0,0,0]=1 58 B14R2.142 COC1=CN=C2C=CC=C(Br)C2=C1 C16370 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.142 COC1=NC2=C(N)C=CC=C2C=C1 90849 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 28307 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.142 CSC1=CC2=C(O)C=CN=C2C=C1 52946 [0,1,0,0,0,0|0,1,0]=2 62 B14R2.142 N#CC1=CC2=C(C=C1)N=CNC2=O 36578 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.142 N#CC1=CC2=C(C=C1)NC=CC2=O F16688 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 O11225 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.781 CC(=O)C1=CC2=NC=CC=C2C=C1 92480 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.781 C[C@H](Cl)C1=CC2=CC=CC=C2N=C1 92511 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.781 C[C@H](Cl)C1=CC2=NC=CC=C2C=C1 92482 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.781 C[C@H](Cl)C1=CC2=NC=CN=C2C=C1 92478 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2N=C1 92510 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.1019 BrCC1=CC2=CC=CC=C2C(Br)=C1 W13544 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.1019 COC1=CC2=CC=CN=C2C(O)=C1 63440 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.1019 COC1=CC2=CC=NC=C2C(Br)=C1 88827 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.1019 CSC1=NC2=C(N=CC=C2)C(=O)N1 C92880 [0,1,0,0,0,0|2,1,0]=4 74 B14R2.1019 ClC1=CC(CBr)=CC2=CC=CN=C12 93362 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.1019 O=CC1=CC2=CC=CN=C2C(Cl)=C1 93363 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.1019 OCC1=CC2=CC=CN=C2C(Cl)=C1 93361 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.1801 COC1=CC2=C(C=C1)C(=O)N=CN2 F15674 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.1801 COC1=CC2=CC=CC(C)=C2C=C1 N14598 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.1801 COC1=CC2=CC=CC(N)=C2N=C1 73651 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.1801 COC1=CC=C2C(I)=CC=NC2=C1 AT14804 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.1801 COC1=CN=C2C(=O)C=CNC2=C1 F15710 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.2332 CC1=CC=C2C=C(C=O)C=CC2=C1 AT10298 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.2332 CNC1=CC=C2C=C(Br)C=CC2=C1 E71252 [0,1,0,0,0,0|2,0,0]=3 87 B14R2.2332 CNC1=CC=C2C=C(Br)C=CC2=N1 C91532 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)CC2 F52285 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CO2 H10021 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)N=C2 F15811 [0,1,0,0,0,0|1,0,1]=3 91 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)OC2 AC7149 [0,1,0,0,0,0|1,0,2]=4 92 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.2332 COC1=CC2=CN=C(N)C=C2C=C1 F31205 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.2332 COC1=CC2=CN=C(N)N=C2C=C1 AC6666 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.2332 COC1=CC2=NC=C(N)N=C2C=C1 92036 [0,1,0,0,0,0|1,0,0]=2 96 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 K10008 [0,1,0,0,0,0|2,0,0]=3 97 B14R2.2332 COC1=CC=C2N=C(F)C=CC2=C1 55499 [0,1,0,0,0,0|0,0,0]=1 98 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 CS1596 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=C1 C91486 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.2332 N#CC1=CC2=C(C=C1)NC(=O)C=C2 P16953 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.2332 N#CC1=CC2=CN=C(N)N=C2C=C1 75429 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 F14768 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.2332 OCC1=CC=C2C=C(O)C=CC2=C1 C15542 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,0,1,0,0,0|1,0,1]=3 105 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,0,1,0,0,0|1,0,1]=3 106 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,0,1,0,0,0|2,0,1]=4 107 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [0,0,1,0,0,0|1,0,2]=4 108 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [0,0,0,0,1,0|3,0,0]=4 109 B12R2.1 CSC1=CNC2=C1C=CC=C2 80001 [0,0,0,0,1,0|2,1,0]=4 110 B12R2.1 NCC1=CNC2=NC=CC=C12 P11573 [0,0,0,0,1,0|3,0,0]=4 111 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [0,0,0,0,1,0|3,0,0]=4 112 B12R2.32 OCC1=CC2=C(C=CC=N2)S1 98421 [0,0,0,0,1,0|3,0,0]=4 113 B12R2.44 BrCC1=CC2=C(C=C1)N=CS2 C75330 [0,0,0,0,1,0|3,0,0]=4 114 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,0,0,0,1,0|3,0,0]=4 115 B12R2.44 C#CC1=CN2C=CN=C2C=C1 81062 [0,0,0,0,1,0|2,0,1]=4 116 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [0,0,0,0,1,0|2,0,0]=3 117 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,0,0,0,1,0|0,0,1]=2 119 B12R2.44 COC1=CN=C2N=CNC2=C1 F18481 [0,0,0,0,1,0|2,0,0]=3 120 B12R2.44 COC1=NC2=C(C=N1)SC=C2 66363 [0,0,0,0,1,0|3,0,0]=4 121 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [0,0,0,0,1,0|1,1,0]=3 122 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 57244 [0,0,0,0,1,0|3,0,0]=4 123 B12R2.44 NCC1=CC2=C(C=C1)N=CO2 AC5137 [0,0,0,0,1,0|3,0,0]=4 124 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,0,0,0,1,0|3,0,0]=4 125 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,0,0,0,1,0|3,0,0]=4 126 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 73943 [0,0,0,0,1,0|3,0,0]=4 127 B12R2.44 NNC1=CC2=C(C=C1)NC=C2 F17872 [0,0,0,0,1,0|2,0,1]=4 128 B12R2.44 OCC1=CN2C=CN=C2C=C1 C14949 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.280 C=CC1=C(Cl)C=CC(OC)=C1 D85759 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.280 C=CC1=C(N)C=CC(OC)=C1 78403 [1,0,1,0,0,0|0,0,1]=3 132 B11R1.280 COC1=CC(C=O)=C(I)C=C1 N10139 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.280 COC1=CC(C=O)=C(N)C=C1 F15852 [1,0,1,0,0,0|1,0,1]=4 134 B11R1.17 CO\C=C\C1=CC=CN=C1Br D85678 [1,0,1,0,0,0|1,0,0]=3 135 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [1,0,1,0,0,0|2,0,0]=4 136 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 W19089 [0,1,1,0,0,0|1,0,1]=4 137 B13R1.15 COC(=O)\C=C\C1=NC(N)=CC=C1 D87540 [0,1,1,0,0,0|1,0,0]=3 138 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,1,1,0,0,0|2,0,0]=4 139 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [0,1,1,0,0,0|1,0,1]=4 141 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15342 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15343 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15344 [0,1,1,0,0,0|2,0,0]=4 144 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15354 [0,1,1,0,0,0|1,0,1]=4 145 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15355 [0,1,1,0,0,0|1,0,1]=4 146 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15356 [0,1,1,0,0,0|1,0,1]=4 147 B13R1.81 C=CC(=O)NC1=CC(OC)=CC=C1 N11725 [0,1,1,0,0,0|2,0,0]=4 148 B13R1.81 COC1=CC=CC(O\C(Cl)=C/Cl)=C1 95278 [0,1,1,0,0,0|2,0,0]=4 149 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 FC1=C(Br)C2=CC=CN=C2C=C1 AC2843 [1,1,0,0,0,0|1,0,0]=3 151 B13R2.32 NC1=CC=C2N=CC=CC2=C1N 98386 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.32 NC1=CC=C2N=CC=CC2=C1N CS1203 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.32 OC1=C(Cl)C2=NC=CC=C2C=C1 C14483 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [1,1,0,0,0,0|1,0,0]=3 157 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=C1 84135 [1,1,0,0,0,0|0,0,0]=2 158 B13R2.155 CC1=CC=C2N=CC(N)=NC2=C1 92084 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.155 CC1=CC=C2N=CC(N)=NC2=C1 92086 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [1,1,0,0,0,0|0,0,0]=2 161 B13R2.155 ClC1=CN=C2C=CC(Cl)=NC2=C1 91728 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.155 FC1=CC=C2N=CC(Cl)=NC2=C1 C14427 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.155 NC1=CC=C2N=CC(I)=CC2=C1 D74425 [1,1,0,0,0,0|1,0,0]=3 164 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.155 NC1=NC=C2C=CC(O)=CC2=C1 68526 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=N1 K10107 [1,1,0,0,0,0|1,0,0]=3 167 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [1,1,0,0,0,0|0,0,0]=2 168 B13R2.155 OC1=CC=C2N=CC(F)=CC2=N1 K10125 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.162 BrC1=NC2=C(Br)C=CN=C2C=C1 38685 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [1,1,0,0,0,0|1,0,0]=3 171 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.162 CC1=CC=C2N=CC=C(Cl)C2=N1 F15085 [1,1,0,0,0,0|1,0,0]=3 174 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.162 ClC1=CC=C2N=CC=C(I)C2=C1 AT14806 [1,1,0,0,0,0|1,0,0]=3 176 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.162 OC1=C2C=C(F)C=CC2=NN=C1 AC7050 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.162 SC1=C2C=C(Br)C=CC2=NC=C1 AT15189 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.328 BrC1=CC2=CC=CC=C2C(I)=C1 AC3548 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.328 CC1=CC(N)=C2C=CC=NC2=C1 K10310 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.328 CC1=CC2=CC=CN=C2C(Cl)=N1 AT15907 [1,1,0,0,0,0|1,0,0]=3 185 B13R2.328 ClC1=CC2=NC=CN=C2C(Br)=C1 AC8451 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.328 ClC1=CC2=NC=CN=C2C(Cl)=C1 D77234 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 F11290 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.328 FC1=CC2=CC=CC=C2C(Br)=C1 E72054 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 F50945 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.328 NC1=CC2=CC=CN=C2C(Br)=C1 84593 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [1,1,0,0,0,0|1,0,1]=4 192 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)O1 94800 [1,1,0,0,0,0|1,0,1]=4 193 B13R2.369 CC1=C(C)C=C2N=CC=CC2=C1 N13369 [1,1,0,0,0,0|0,0,0]=2 194 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.369 CC1=CC2=CN=CC=C2C=C1F 81070 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.369 CC1=NC2=NC=CN=C2C=C1Br W10492 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.369 ClC1=NC2=NC=CC=C2C=C1Br F30307 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.369 NC1=CC2=CC=CN=C2C=C1Cl 91345 [1,1,0,0,0,0|1,0,0]=3 200 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.369 OC1=NC2=CC=CN=C2C=C1Br F30271 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [1,1,0,0,0,0|1,0,1]=4 203 B13R2.3683 CC1=CC2=CC=C(N)C=C2N=C1 K10051 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92064 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92082 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92083 [1,1,0,0,0,0|1,0,0]=3 209 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=N1 91922 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.3683 CC1=CN=C2C=C(I)C=CC2=N1 91923 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.3683 CC1=CN=C2N=C(C)C=CC2=C1 D75079 [1,1,0,0,0,0|1,0,0]=3 212 B13R2.3683 CC1=NC2=CC=C(N)C=C2N=C1 91921 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.3683 CC1=NC=C2C=C(Cl)C=CC2=N1 91919 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.3683 CC1=NC=C2C=C(F)C=CC2=N1 91915 [1,1,0,0,0,0|2,0,0]=4 215 B13R2.3683 CC1=NC=C2C=C(I)C=CC2=N1 91918 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [1,1,0,0,0,0|1,0,1]=4 217 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 S11534 [1,1,0,0,0,0|1,0,0]=3 218 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [1,1,0,0,0,0|1,0,0]=3 220 B13R2.3683 NC1=NC=C2C=C(F)C=CC2=N1 AC5166 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [1,1,0,0,0,0|1,0,0]=3 222 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CO2 C91052 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.5179 CC1=CC=C2C(Br)=CC=NC2=C1 F53837 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.5179 OC1=NC=C2C(Br)=CC=CC2=C1 24374 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.5179 [O-][N+]1=C2C=CC(Br)=CC2=CC=C1 D85320 [1,1,0,0,0,0|1,0,1]=4 231 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 AC9845 [1,1,0,0,0,0|0,0,1]=3 232 B13R2.26 CNCC1=CC2=CC=CN=C2S1 79380 [0,1,0,0,1,0|2,0,0]=4 233 B13R2.84 COC1=C(Br)C2=C(C=C1)C=NN2 F18449 [0,1,0,0,1,0|2,0,0]=4 234 B13R2.84 COC1=C(C)C2=C(C=CN2)C=C1 76376 [0,1,0,0,1,0|1,0,0]=3 235 B13R2.84 COC1=C(F)C2=C(C=CN2)C=C1 94824 [0,1,0,0,1,0|1,0,0]=3 236 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OC=C2 92542 [0,1,0,0,1,0|2,0,0]=4 237 B13R2.430 C[C@H](O)C1=CN2C=CN=C2C=C1 AT10679 [0,1,0,0,1,0|2,0,0]=4 238 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 24610 [0,1,0,0,1,0|0,0,1]=3 239 B13R2.449 CCOC1=CC2=C(C=C1)NN=C2 78353 [0,1,0,0,1,0|1,0,1]=4 240 B13R2.449 CCOC1=NC2=C(C=C1)NC=C2 F11174 [0,1,0,0,1,0|1,0,1]=4 241 B13R2.449 OCCC1=CC2=C(C=C1)OC=C2 71980 [0,1,0,0,1,0|2,0,0]=4 242 B13R2.599 COC1=C(I)C=C2C=NNC2=C1 76298 [0,1,0,0,1,0|2,0,0]=4 243 B13R2.654 COC1=CC(Br)=C2OC=CC2=C1 AC7187 [0,1,0,0,1,0|1,0,0]=3 244 B13R2.654 COC1=CC(C)=C2C=CNC2=C1 O11604 [0,1,0,0,1,0|1,0,0]=3 245 B13R2.654 COC1=CC(N)=C2C=NNC2=C1 I11323 [0,1,0,0,1,0|2,0,0]=4 246 B13R2.669 COC1=CC2=C(Br)C=NN2C=C1 51014 [0,1,0,0,1,0|1,0,0]=3 247 B13R2.669 COC1=CC2=C(C=C1)NN=C2I 75851 [0,1,0,0,1,0|1,0,1]=4 248 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br C74713 [0,1,0,0,1,0|1,0,0]=3 249 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,1,0,0,1,0|1,0,0]=3 250 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [0,1,0,0,1,0|2,0,0]=4 251 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,1,0,0,1,0|2,0,0]=4 252 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,1,0,0,1,0|1,0,0]=3 253 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 C12034 [0,1,0,0,1,0|1,0,0]=3 254 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,1,0,0,1,0|2,0,0]=4 255 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 S10142 [0,1,0,0,1,0|2,0,0]=4 256 B13R2.2121 COC1=CC2=NC(N)=NN2C=C1 AC3315 [0,1,0,0,1,0|2,0,0]=4 257 B13R2.2121 COC1=NC2=C(C=C1)C=C(C)N2 63344 [0,1,0,0,1,0|2,0,0]=4 258 B13R2.2121 COC1=NC2=C(C=C1)N=C(Br)N2 D97053 [0,1,0,0,1,0|2,0,0]=4 259 B13R2.2121 COC1=NC=C2C=C(C)NC2=C1 C14302 [0,1,0,0,1,0|2,0,0]=4 260 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,1,0,0,1,0|2,0,0]=4 261 B13R2.2130 COC1=CC2=C(C=C1)C(Cl)=NO2 AT10781 [0,1,0,0,1,0|2,0,0]=4 262 B13R2.2130 COC1=CC2=C(C=C1)C(O)=NN2 20043 [0,1,0,0,1,0|2,0,0]=4 263 B13R2.2130 COC1=CN=C2C(=C1)C=CN2C 88589 [0,1,0,0,1,0|1,0,1]=4 264 B13R2.2130 COC1=NC2=C(C=C1)N(O)C=C2 D74365 [0,1,0,0,1,0|1,0,1]=4 265 B15R2.274 O=CC1=C(F)C2=CC=CN=C2C=C1F 65963 [0,2,0,0,0,0|2,0,0]=4 266 B15R2.627 NC1=C(C(=O)O)C=CC2=NC=CC=C21 D96818 [0,2,0,0,0,0|2,0,0]=4 267 B15R2.4774 COC1=CC=C2C=CC(=O)OC2=C1O F17709 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.4778 COC1=CN=C2C=C(Cl)C=CC2=C1O S10317 [0,2,0,0,0,0|2,0,0]=4 269 B15R2.352 C#CCOC1=CC2=CC=CC=C2C=C1 C15245 [0,2,0,0,0,0|1,0,0]=3 270 B15R2.352 NCCCC1=CC2=CC=CC=C2C=C1 C77852 [0,2,0,0,0,0|2,0,0]=4 271 B15R2.1601 NNC(=O)C1=CC2=CC=CN=C2C=C1 C75522 [0,2,0,0,0,0|2,0,0]=4 272 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CN=C2C=C1 N14946 [0,2,0,0,0,0|1,0,0]=3 273 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CN=C2C=C1 N14947 [0,2,0,0,0,0|1,0,0]=3 274 B15R2.1601 O=C(CBr)C1=CC2=CC=CN=C2C=C1 I11144 [0,2,0,0,0,0|1,0,0]=3 275 B15R2.1601 O\N=C(/Cl)C1=CC2=CC=CN=C2C=C1 D84745 [0,2,0,0,0,0|2,0,0]=4 276 B15R2.1668 CC(=O)OC1=CC2=CC=CN=C2C=C1 S11746 [0,2,0,0,0,0|0,0,0]=2 277 B15R2.1824 COC1=CC2=C(C=CC(=O)O2)C=C1O 43053 [0,2,0,0,0,0|2,0,0]=4 278 B15R2.1824 COC1=CC2=C(C=CC(Br)=C2)NC1=O 87956 [0,2,0,0,0,0|2,0,0]=4 279 B15R2.4776 COC1=CC=C2C=CC(C=O)=NC2=C1 AT13129 [0,2,0,0,0,0|2,0,0]=4 280 B15R2.4807 COC1=CC=C2C=CC(F)=C(C)C2=N1 AT15323 [0,2,0,0,0,0|2,0,0]=4 281 B15R2.4807 COC1=CC=C2N=CC(F)=C(O)C2=N1 70374 [0,2,0,0,0,0|1,0,0]=3 282 B15R2.7174 O=[N+]([O-])C1=CC=C2N=CC(I)=CC2=C1 D74428 [0,2,0,0,0,0|2,0,0]=4 283 B15R2.21336 COC1=CC2=C(C=C1)C=C(C)C(=O)N2 92259 [0,2,0,0,0,0|2,0,0]=4 284 B15R2.21336 COC1=CC=C2C=C(C)C(Cl)=NC2=C1 92258 [0,2,0,0,0,0|2,0,0]=4 285 B15R2.89396 COC1=CC2=C(C=C1)C(Cl)=CC(=O)O2 AC1935 [0,2,0,0,0,0|2,0,0]=4 286 B15R2.89396 COC1=CC2=NC(C)=CC(O)=C2C=C1 AC2773 [0,2,0,0,0,0|2,0,0]=4 287 B15R2.89396 COC1=CC=C2C(=C1)C=C(Cl)N=C2Cl AT20883 [0,2,0,0,0,0|2,0,0]=4 288 B15R2.89396 COC1=CC=C2C(Cl)=CC(C)=NC2=C1 AC1936 [0,2,0,0,0,0|2,0,0]=4 289 B15R2.2393 COC1=C(F)C=C2N=CNC(=O)C2=C1 P13441 [0,2,0,0,0,0|1,0,0]=3 290 B15R2.2393 COC1=C(F)C=C2N=NC=C(Br)C2=C1 89903 [0,2,0,0,0,0|1,0,0]=3 291 B15R2.2393 COC1=CC2=C(O)N=CC=C2C=C1Br C92481 [0,2,0,0,0,0|2,0,0]=4 292 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 AC8502 [0,2,0,0,0,0|1,0,0]=3 293 B15R2.21329 COC1=CC2=C(C=C1)N=C(C)NC2=O 53769 [0,2,0,0,0,0|1,0,0]=3 294 B15R2.21329 COC1=CC2=C(C=C1)N=C(C)OC2=O C10885 [0,2,0,0,0,0|1,0,0]=3 295 B15R2.21329 COC1=CC2=C(C=C1)N=C(Cl)NC2=O O10748 [0,2,0,0,0,0|1,0,0]=3 296 B15R2.21329 COC1=CC2=C(C=C1)NC(=O)C=C2C D74570 [0,2,0,0,0,0|0,0,1]=3 297 B15R2.21329 COC1=CC2=C(O)N=C(C)N=C2C=C1 94726 [0,2,0,0,0,0|1,0,0]=3 298 B15R2.21329 COC1=CC=C2C=C(Cl)N=C(Cl)C2=C1 96202 [0,2,0,0,0,0|2,0,0]=4 299 B15R2.21329 COC1=CC=C2N=C(C)C=C(Cl)C2=N1 94725 [0,2,0,0,0,0|1,0,0]=3 300 B15R2.21329 COC1=CC=C2N=C(Cl)N=C(C)C2=C1 O10745 [0,2,0,0,0,0|1,0,0]=3 301 B15R2.21329 COC1=CC=C2N=C(N)N=C(Cl)C2=C1 AC4051 [0,2,0,0,0,0|1,0,0]=3 302 B15R2.21329 COC1=CC=C2NC(C)=CC(=O)C2=N1 94724 [0,2,0,0,0,0|1,0,1]=4 303 B15R2.22397 COC1=CC=C2C(=C1)C(Br)=CN=C2Cl 80912 [0,2,0,0,0,0|2,0,0]=4 304 B15R2.984 O=C(O)C1=CC2=CC=CN=C2C=C1F 95704 [0,2,0,0,0,0|2,0,0]=4 305 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CN=C2C=C1 85585 [0,2,0,0,0,0|1,1,0]=4 306 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CN=C2C=C1 C16175 [0,2,0,0,0,0|1,1,0]=4 307 B15R2.7180 CC1=CC=C2C=C(B(O)O)C=CC2=N1 AT12653 [0,2,0,0,0,0|2,0,0]=4 308 B15R2.14951 O=[N+]([O-])C1=CC2=CC=CN=C2C(O)=C1 78366 [0,2,0,0,0,0|2,0,0]=4 309 B15R2.1851 COC1=CC2=CC=CC=C2C(OC)=C1 C13981 [0,2,0,0,0,0|1,0,0]=3 310 B15R2.1851 COC1=CC2=CC=CN=C2C(C=O)=C1 F14400 [0,2,0,0,0,0|0,0,0]=2 311 B15R2.2713 COC1=CC(Cl)=C2C=C(Br)C=CC2=N1 F13887 [0,2,0,0,0,0|2,0,0]=4 312 B15R2.1754 COC1=CC2=C(C=C(Br)C=C2)NC1=O 87957 [0,2,0,0,0,0|2,0,0]=4 313 B15R2.1754 COC1=CC2=CN=C(N)C=C2C=C1Cl 92175 [0,2,0,0,0,0|2,0,0]=4 314 B15R2.2039 COC1=C(Br)C=C2C(=O)NC=CC2=C1 F30568 [0,2,0,0,0,0|2,0,0]=4 315 B15R2.2039 COC1=C(F)C=C2C(=C1)C=CN=C2Cl 69144 [0,2,0,0,0,0|2,0,0]=4 316 B15R2.2310 COC1=CC2=NC=CC(C#N)=C2C=C1 CS1812 [0,2,0,0,0,0|2,0,0]=4 317 B15R2.4780 CNC1=CC=C2C=C(C#N)C=CC2=C1 E71251 [0,2,0,0,0,0|2,0,0]=4 318 B15R2.4780 CNC1=CC=C2C=C(C=O)C=CC2=C1 E72020 [0,2,0,0,0,0|2,0,0]=4 319 B15R2.4780 COC1=CC=C2N=C(C=O)C=CC2=C1 AT13130 [0,2,0,0,0,0|0,0,0]=2 320 B15R2.4780 COC1=CC=C2N=C(CCl)N=CC2=C1 AC5117 [0,2,0,0,0,0|1,0,0]=3 321 B13R2.10 OC1=CC(C2=NC=CC=C2)=NO1 AC4576 [0,0,1,1,0,0|2,0,0]=4 322 B15R3.31603 C1=CC2=CC(C3CC3)=CC=C2N=C1 AC9171 [0,1,0,1,0,0|1,0,0]=3 323 B15R3.31603 C1=CC=C2C=C(C3CC3)C=CC2=C1 AC9616 [0,1,0,1,0,0|2,0,0]=4 324 B11R2.1 CC1=CNC2=NC=NC=C12 P14369 [1,0,0,0,1,0|2,0,0]=4 325 B11R2.1 NC1=CNC2=NC=CC=C12 C15185 [1,0,0,0,1,0|2,0,0]=4 326 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [1,0,0,0,1,0|2,0,0]=4 327 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,0,1,0|1,0,0]=3 328 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,0,1,0|2,0,0]=4 329 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [1,0,0,0,1,0|2,0,0]=4 331 B11R2.10 CC1=NC2=CC=CN=C2N1 F19908 [1,0,0,0,1,0|2,0,0]=4 332 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [1,0,0,0,1,0|2,0,0]=4 333 B11R2.10 NC1=CC2=CC=CN=C2S1 82785 [1,0,0,0,1,0|2,0,0]=4 334 B11R2.36 CC1=CC2=CC=NN2C=C1 51003 [1,0,0,0,1,0|1,0,0]=3 335 B11R2.36 CC1=CC2=NSN=C2C=C1 F52629 [1,0,0,0,1,0|2,0,0]=4 336 B11R2.36 CC1=CN2N=CC=C2C=C1 56903 [1,0,0,0,1,0|2,0,0]=4 337 B11R2.36 CC1=NC2=CC=NN2C=C1 D74156 [1,0,0,0,1,0|2,0,0]=4 338 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,0,1,0|2,0,0]=4 339 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [1,0,0,0,1,0|2,0,0]=4 340 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [1,0,0,0,1,0|1,0,1]=4 341 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [1,0,0,0,1,0|2,0,0]=4 342 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [1,0,0,0,1,0|2,0,0]=4 343 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,0,1,0|1,0,0]=3 344 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [1,0,0,0,1,0|2,0,0]=4