0 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1=C(C2=CC=CN=C2N1)I PHB00180 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,0,0,0,0,0|1,0,2]=4 16 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,0,0,0|1,0,1]=3 17 B11R2.10 ClC1=NC2=C(N1)C=CC=N2 CDS010108 [1,0,0,0,0,0|1,0,1]=3 18 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,0,0,0|1,0,0]=2 20 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,0,0,0|2,1,0]=4 22 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.135 CC1=C(C2=C(N1)N=CC=C2)C=O CDS023582 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,0,0,0|1,0,0]=2 26 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,1,0,0,0,0|2,1,0]=4 30 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R241830 [0,1,0,0,0,0|2,1,0]=4 32 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R587044 [0,1,0,0,0,0|2,1,0]=4 33 B13R2.3028 NC1C(=O)NC2=CC=C(C=C12)F CBR02325 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,0,0|2,0,1]=4 48 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,0,1,0,0,0|2,0,0]=3 52 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,1,0,0,0|2,1,0]=4 57 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,1,0,0,0|3,0,0]=4 58 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,0,1,0,0,0|2,1,0]=4 59 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,1,0,0,0|1,0,0]=2 63 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,0,1,0,0,0|3,0,0]=4 64 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,0,0,1|3,0,0]=4 65 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,0,0,0,0,1|2,0,0]=3 66 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,0,0,0,0,1|2,0,0]=3 67 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,0,0,0,0,1|3,0,0]=4 69 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,0,0,0,0,1|3,0,0]=4 70 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,1,0,0,0|2,0,0]=4 73 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,1,0,0,0|1,0,0]=3 74 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,0,1,0,0,0|1,0,0]=3 80 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,0,1,0,0,0|1,0,0]=3 81 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,0,1,0,0,0|2,0,0]=4 82 B10R1.20 CNC1=CC=CN=C1NC PH018784 [1,0,1,0,0,0|1,0,1]=4 83 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,0,1,0,0,0|2,0,0]=4 85 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|1,0,0]=3 86 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [2,0,0,0,0,0|2,0,0]=4 87 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,1,0,0,0|2,0,0]=4 92 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,1,1,0,0,0|1,0,1]=4 94 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,1,0,0,0|1,0,1]=4 95 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,1,0,0,0|2,0,0]=4 96 B12R1.49 CC1=CC=C(N=C1)NC(=O)CCl CBR00101 [0,1,1,0,0,0|2,0,0]=4 97 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,1,0,0,0|2,0,0]=4 98 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,1,0,0,0|2,0,0]=4 99 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,1,0,0,0|2,0,0]=4 100 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,1,0,0,0|1,0,0]=3 102 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,1,0,0,0|1,0,0]=3 103 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,1,0,0,0|2,0,0]=4 107 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,1,0,0,0|1,0,0]=3 108 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,1,0,0,0|1,0,0]=3 109 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,1,0,0,0|2,0,0]=4 110 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,1,0,0,0|2,0,0]=4 111 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,1,0,0,0|1,0,0]=3 112 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,1,1,0,0,0|2,0,0]=4 113 B12R2.132 BrC1=CNC2=NC=C(C=C12)I ADE000897 [1,1,0,0,0,0|2,0,0]=4 114 B12R2.132 CC1=CN=C2NC=C(C2=C1)I ADE000940 [1,1,0,0,0,0|2,0,0]=4 115 B12R2.132 ClC1=CN=C2NC=C(C2=C1)I ADE000899 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.132 FC1=CN=C2NC=C(C2=C1)I ADE000905 [1,1,0,0,0,0|2,0,0]=4 117 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [1,1,0,0,0,0|2,0,0]=4 118 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.32 NCC1=NC2=NC=CC=C2N1 CDS019145 [1,1,0,0,0,0|1,0,1]=4 120 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [1,1,0,0,0,0|1,0,1]=4 121 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [1,1,0,0,0,0|2,0,0]=4 122 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [1,1,0,0,0,0|2,0,0]=4 123 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [1,1,0,0,0,0|1,0,0]=3 124 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [1,1,0,0,0,0|2,0,0]=4 125 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [1,1,0,0,0,0|2,0,0]=4 126 B12R2.606 BrC1=CN=C2NC(=CC2=C1)I ADE001093 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [1,1,0,0,0,0|2,0,0]=4 128 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [1,1,0,0,0,0|2,0,0]=4 129 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,1,0,0,0,0|1,1,0]=4 130 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [1,1,0,0,0,0|1,0,0]=3 131 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,1,0,0,0,0|2,0,0]=4 132 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [1,1,0,0,0,0|1,0,0]=3 133 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [1,1,0,0,0,0|0,0,0]=2 134 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,1,0,0,0,0|2,0,0]=4 135 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [1,1,0,0,0,0|2,0,0]=4 137 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [1,1,0,0,0,0|1,0,0]=3 139 B12R2.606 OC1=NC2=CC(=CN=C2N1)Br ADE001244 [1,1,0,0,0,0|0,0,2]=4 140 B12R2.606 OC1=NC2=NC=C(C=C2N1)Br T316016 [1,1,0,0,0,0|0,0,2]=4 141 B14R2.8038 O=C1COC2=C(C=CC=C2N1O)Cl T320749 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,1,0,0,0,1|2,0,0]=4 143 B14R2.639 CC1(OC2=C(N=CC=C2)NC1=O)C PHB00083 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.517 CCCN1C(=O)NC2=CC=CC=C12 PH010931 [0,2,0,0,0,0|2,0,0]=4 145 B14R2.4217 CCN1C(=O)NC2=CC(=CC=C12)C PH007130 [0,2,0,0,0,0|2,0,0]=4 146 B14R2.4217 O=C1SC2=C(N1CO)C=CC(=C2)Br R587524 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.4217 O=C1SC2=C(N1CO)C=CC(=C2)Br R786039 [0,2,0,0,0,0|2,0,0]=4 148 B14R2.19306 CN1C(=O)/C(=N\O)/C2=C1C=CC=C2 PH004046 [0,2,0,0,0,0|2,0,0]=4 149 B14R2.19306 O=C1C(=O)N(C2=C1C=CC=C2)CO S802107 [0,2,0,0,0,0|2,0,0]=4 150 B14R2.8716 CC1=CC=C2C(=C1)N(C(=O)N2C)C TMT00069 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,0,1,0,0,1|2,0,0]=4