0 B13R2.328 CC1=NC(S)=NC2=CC=CC=C21 BB58-0853 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 BB10-0253 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 BB55-4970 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 BB01-2818 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 CC1=NC2=NC=CC=C2C(=O)N1 BB12-1115 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)O1 BB54-5088 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.328 NC1=CC(Br)=CC2=CC=CN=C12 BB54-0021 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 NC1=CC(Cl)=CC2=C1N=CC=C2 BB54-3680 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 O=C1CC(=O)N2C=CC=CC2=N1 BB57-4558 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.328 O=C1N=[N+]([O-])C2=CC=CC=C2N1 BB12-1595 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.328 O=C1NC(=S)NC2=CC=CC=C12 BB54-1781 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.328 O=C1NC(=S)SC2=CC=CC=C12 BB12-3901 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BB12-1549 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 BrC1=NC2=NC=CC=C2C=C1 BB32-2954 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 NC1=CC=C2C=CC=NC2=C1 BB58-0390 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 NC1=CC=C2N=CC=CC2=C1 BB12-2220 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 ClC1=NN=CC2=CC=CC=C21 BB20-3504 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 NC1=CC=NC2=C1C=CC=C2 BB54-4038 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.1081 NC1=CN=CC2=CC=CC=C12 BB58-0352 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 BB01-6263 [1,0,0,0,0,0|1,0,0]=2 21 B12R2.1081 NC1=NC=NC2=C1C=CC=C2 BB54-4729 [1,0,0,0,0,0|0,0,0]=1 22 B12R2.1081 O=C1NC=CC2=CC=CC=C12 BB57-4849 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.1081 O=C1NC=NC2=CC=CC=C12 BB50-0326 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.1081 OC1=CC=NC2=CC=CC=C12 BB01-2824 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.1081 OC1=CN=NC2=CC=CC=C12 BB01-2215 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 SC1=NC=CC2=CC=CC=C21 BB57-5707 [1,0,0,0,0,0|2,0,0]=3 27 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)N1 BB12-2175 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.1019 NCC1=NC2=CC=CC=C2C(=O)N1 BB55-4622 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.1019 NNC1=NC2=CC=CC=C2C(=O)N1 BB57-4231 [0,1,0,0,0,0|1,0,1]=3 30 B14R2.1146 CC1=NC2=C(C=CC=C2)C(CN)=C1 BB54-1311 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.1146 CC1=NC2=CC=CC=C2C(C#N)=C1 BB57-2438 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.8045 CC1=CC(Cl)=NC2=C(C)C=CC=C12 BB57-6990 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.8045 CC1=CC=CC2=C1N=C(C)C=C2Cl BB54-3276 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.8045 CC1=CC=CC2=C1N=C(C)C=C2O BB54-3148 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.8045 CC1=NC2=C(Cl)C=CC=C2C(Cl)=C1 BB54-4565 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.8045 CC1=NC2=C(Cl)C=CC=C2C(N)=C1 BB54-3688 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(N)=C1 BB54-4466 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(O)=C1 BB54-4640 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.8188 CC1=CC2=CC=CC=C2C(N)=C1C BB58-4732 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.8188 NN1C(=O)C2=CC=CC=C2N=C1S BB05-2002 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8235 CC1=C2C=C(N)C=CC2=NC(O)=C1 BB54-5352 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 BB12-2183 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(F)C=C12 BB57-7050 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)C=C2Cl BB54-3406 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)C=C2O BB54-3056 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(N)=C1 BB54-4641 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.29365 CC1=CC2=C(C=C1)C(C)=NC(O)=N2 BB12-4098 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.29365 CC1=NC2=CC(Cl)=CC=C2C(Cl)=C1 BB57-7067 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 BB54-4969 [0,0,1,0,0,0|1,0,2]=4 50 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 BB55-4563 [0,0,1,0,0,0|2,0,0]=3 51 B12R2.18 CC1=NC2=CC=CC=C2N1C BB01-2782 [0,0,0,0,1,0|3,0,0]=4 52 B12R2.18 CN1C2=CC=CC=C2N=C1Cl BB12-1469 [0,0,0,0,1,0|3,0,0]=4 53 B12R2.18 NC1=NC2=CC=CC=C2N1N BB58-3317 [0,0,0,0,1,0|1,0,0]=2 54 B12R2.246 CC1=NC2=C(C=NN2)C(N)=N1 BB58-0901 [0,0,0,0,1,0|3,0,0]=4 55 B12R2.246 ClC1=NC2=C(C=CS2)C(Cl)=N1 BB20-3420 [0,0,0,0,1,0|3,0,0]=4 56 B12R2.246 NC1=CC(Br)=C2C=CNC2=N1 BB31-7396 [0,0,0,0,1,0|3,0,0]=4 57 B12R2.246 NC1=NC(Cl)=C2N=CNC2=N1 BB01-0918 [0,0,0,0,1,0|3,0,0]=4 58 B12R2.2028 CN1N=C(N)C2=C1N=CC=C2 BB58-4104 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB53-1939 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.16 N#C\N=C(\N)C1=CC=CC=C1 BB53-1705 [1,0,1,0,0,0|0,0,2]=4 61 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.91 N=C(N)OCC1=CC=CC=C1 BB57-6018 [1,0,1,0,0,0|1,0,1]=4 63 B11R1.91 N=C(N)SCC1=CC=CC=C1 BB57-2949 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 BB12-3478 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 N\C(=N/O)C1=CC=CC=C1F BB05-3463 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.222 N\C(=N/O)C1=CC=CC=C1F BB10-0059 [1,0,1,0,0,0|2,0,0]=4 68 B13R1.348 NC(N)=N\C(N)=N\C1=CC=CC=C1 BB20-0626 [0,1,1,0,0,0|0,0,0]=2 69 B13R1.11 N\C(=N/O)NC(=O)C1=CC=CC=C1 BB57-2430 [0,1,1,0,0,0|1,0,1]=4 70 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 BB54-1225 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 BB54-4524 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.57 NNC1=NC2=CC=CC=C2N=C1 BB10-0313 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.57 NNC1=NC2=CC=CC=C2OC1 BB10-0593 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 BB32-3464 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.155 NC1=NC2=C(C=C1)C=CC(O)=N2 BB54-3500 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 CC1=C2N=C(N)C=CC2=CC=C1 BB58-5092 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 BB56-0660 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.162 NC1=NC2=C(C=CC=C2O)C=C1 BB57-3388 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.369 NC1=CC2=CC=CC=C2C=C1O BB55-7577 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 BB12-4988 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 BB57-6530 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.342 CC1=C2N=CC=C(N)C2=CC=C1 BB54-3689 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.342 ClC1=CC=NC2=C(Cl)C=CC=C12 BB54-4173 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.342 FC1=C2N=CC=C(Cl)C2=CC=C1 BB54-4566 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.342 NC1=C2C=CC=C(Br)C2=NC=C1 BB54-4904 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.342 NC1=CC=NC2=C(Cl)C=CC=C12 BB54-3690 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.342 NC1=CC=NC2=C(F)C=CC=C12 BB54-4176 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.342 OC1=CC=NC2=C(Cl)C=CC=C12 BB54-4273 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.342 OC1=CC=NC2=C(F)C=CC=C12 BB54-4175 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 BB56-0520 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.1613 N#CC1=C2C=CC=CC2=CC=N1 BB54-1224 [1,1,0,0,0,0|1,0,1]=4 93 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 BB54-1493 [1,1,0,0,0,0|1,0,0]=3 94 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 BB54-4340 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 BB54-3115 [0,1,0,0,1,0|1,0,1]=4 96 B13R2.135 CC1=C(CN)C2=CC=CC=C2N1 BB55-8273 [0,1,0,0,1,0|1,0,1]=4 97 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 BB05-0160 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.135 CCN1C2=CC=CC=C2N=C1N BB53-1597 [0,1,0,0,1,0|2,0,0]=4 99 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 BB20-4883 [0,2,0,0,0,0|1,0,1]=4 100 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 BB57-0994 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.2713 CC1=CC=C2N=C(CCl)N=C(Cl)C2=C1 BB55-7981 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.2713 ClCC1=NC2=CC=C(Cl)C=C2C(Cl)=N1 BB55-7980 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.14951 CN(C)C1=NC2=CC=CC=C2C(N)=C1 BB01-2525 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.21243 NNC1=NC2=CC=CC=C2C(=O)N1N BB53-1458 [0,2,0,0,0,0|1,0,1]=4 105 B15R2.988 CC1=NC2=CC=CC=C2C(C(N)=O)=C1 BB12-3717 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.988 CN(C)C1=NC(Cl)=NC2=C1C=CC=C2 BB58-4096 [0,2,0,0,0,0|1,0,0]=3 107 B15R2.988 NC(=O)C1=CC(Cl)=NC2=CC=CC=C21 BB58-3464 [0,2,0,0,0,0|2,0,0]=4 108 B13R2.15 NC1=NC=NN1C2=CC=CC=C2 BB58-1107 [0,0,1,1,0,0|0,0,2]=4 109 B13R2.10 BrC1=NNC(C2=CC=CC=N2)=N1 BB57-3386 [0,0,1,1,0,0|2,0,0]=4 110 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 BB57-3713 [0,0,1,1,0,0|2,0,0]=4 111 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 BB55-4968 [0,0,1,1,0,0|2,0,0]=4 112 B13R2.10 CC1=NNC(C2=CC=CC=C2)=N1 BB58-5432 [0,0,1,1,0,0|1,0,0]=3 113 B13R2.10 ClC1=NOC(C2=CC=CC=C2)=N1 BB12-3447 [0,0,1,1,0,0|2,0,0]=4 114 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 BB54-4415 [0,0,1,1,0,0|1,0,1]=4 115 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 BB12-3963 [0,0,1,1,0,0|0,0,2]=4 116 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 BB12-1476 [0,0,1,1,0,0|2,0,0]=4 117 B13R2.10 NC1=NN=C(C2=CC=CC=C2)N1 BB20-0013 [0,0,1,1,0,0|0,0,2]=4 118 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 BB12-1867 [0,0,1,1,0,0|1,0,1]=4 119 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 BB56-0242 [0,0,1,1,0,0|1,0,0]=3 120 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 BB12-3421 [0,0,1,1,0,0|0,0,0]=2 121 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 BB58-0085 [0,0,1,1,0,0|1,0,0]=3 122 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 BB26-0122 [0,0,1,1,0,0|2,0,0]=4 123 B13R2.10 SC1=NC(C2=CC=CC=C2)=NN1 BB53-1809 [0,0,1,1,0,0|1,0,1]=4 124 B13R2.5569 O=C(O)C1=CC=CC2=C1N=CN2 BB54-3247 [0,0,1,1,0,0|2,0,0]=4 125 B13R2.18 BrC1=C(C2=CNC=N2)C=CC=C1 BB55-4993 [0,0,1,1,0,0|2,0,0]=4 126 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [0,0,1,0,1,0|1,0,1]=4 127 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,0,1,0,1,0|1,0,1]=4 128 B11R2.1 IC1=NNC2=CC=CC=C21 BB20-0661 [1,0,0,0,1,0|2,0,0]=4 129 B11R2.1 NC1=C2C=CC=CC2=NS1 BB54-4050 [1,0,0,0,1,0|2,0,0]=4 130 B11R2.1 NC1=NN=C2C=CC=CN12 BB54-4291 [1,0,0,0,1,0|2,0,0]=4 131 B11R2.1 NC1=NNC2=C1C=CC=C2 BB05-4852 [1,0,0,0,1,0|1,0,0]=3 132 B11R2.1 NC1=NNC2=C1C=CC=C2 BB26-0849 [1,0,0,0,1,0|1,0,0]=3 133 B11R2.1 NC1=NNC2=NC=CC=C12 BB05-4662 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.10 CC1=NC2=CC=CC=C2N1 BB01-2789 [1,0,0,0,1,0|1,0,1]=4 135 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [1,0,0,0,1,0|2,0,0]=4 136 B11R2.10 NC1=NC2=C(N=CC=C2)S1 BB56-2479 [1,0,0,0,1,0|2,0,0]=4 137 B11R2.10 NC1=NC2=CC=CC=C2O1 BB05-4615 [1,0,0,0,1,0|1,0,0]=3 138 B11R2.10 NC1=NC2=NC=CC=C2O1 BB57-6516 [1,0,0,0,1,0|2,0,0]=4 139 B11R2.10 NC1=NN2C=CC=NC2=N1 BB05-4464 [1,0,0,0,1,0|2,0,0]=4 140 B11R2.10 NC1=NN2C=CN=CC2=N1 BB12-1253 [1,0,0,0,1,0|2,0,0]=4 141 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BB05-3085 [0,0,1,0,0,1|2,0,0]=4 142 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BB12-2747 [0,0,1,0,0,1|2,0,0]=4