0 B13R2.3028 CN1C2=CC(=CC=C2N=C1Cl)Cl PH016051 [0,0,0,0,0,0|2,1,1]=4 1 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.3028 NC1C(=O)NC2=CC=C(C=C12)F CBR02325 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,0,0,0,0,0|1,1,0]=2 4 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,0,0,0,0,0|1,1,0]=2 5 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,0,0|1,0,0]=2 13 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,0,0|1,0,0]=2 14 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.132 CN1C=NC2=CC=C(C=C12)Br CDS008133 [1,0,0,0,0,0|1,1,1]=4 16 B12R2.132 CN1C=NC2=CC=C(C=C12)N CDS019276 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.132 FC1=CN=C2NC=C(C2=C1)I ADE000905 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 L470805 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,0,0,0,0,0|2,1,0]=4 21 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,0,0,0,0,0|0,1,0]=2 25 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [1,0,0,0,0,0|1,1,1]=4 26 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [1,0,0,0,0,0|1,1,1]=4 27 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [1,0,0,0,0,0|1,1,1]=4 28 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [1,0,0,0,0,0|2,1,0]=4 30 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [1,0,0,0,0,0|1,1,1]=4 31 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [1,0,0,0,0,0|1,1,1]=4 32 B12R2.606 NC1=NC2=CC(=CC=C2S1)F VBP00032 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [1,0,0,0,0,0|1,1,0]=3 36 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,0,0,0,0,0|1,1,0]=3 37 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [1,0,0,0,0,0|1,1,0]=3 38 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [1,0,0,0,0,0|1,1,0]=3 39 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [1,0,0,0,0,0|0,1,0]=2 40 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [1,0,0,0,0,0|2,1,0]=4 41 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [1,0,0,0,0,0|0,1,2]=4 43 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [1,0,0,0,0,0|0,1,2]=4 44 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [1,0,0,0,0,0|1,2,0]=4 45 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [1,0,0,0,0,0|0,2,1]=4 46 B14R2.645 CC1=CC2=C(C=C1Br)NC(=O)C2=O R396656 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.645 O=C1NC2=C(C1=O)C=C(C(=C2)Cl)F PH000435 [0,1,0,0,0,0|1,0,1]=3 48 B14R2.1060 CC1=C(NC2=CC=C(C=C12)F)C=O CDS001923 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.3274 CCC1=CC=C2NC(=O)C(C2=C1)N CBR01432 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O L259179 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,1,0,0,0,0|1,1,1]=4 52 B14R2.8716 CC1=CC=C2C(=C1)N(C(=O)N2C)C TMT00069 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.8716 CN1C(=O)C(=O)C2=CC(=CC=C12)Br TMT00036 [0,1,0,0,0,0|1,1,1]=4 54 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [0,1,0,0,0,0|1,1,1]=4 55 B14R2.9184 CC1=CC(=C2NC(=O)C(=O)C2=C1)Br OTV000673 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,0,1,0,0,0|2,1,0]=4 59 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,0,1,0,0,0|2,1,0]=4 61 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,0,1,0,0,0|2,0,0]=3 62 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,0,1,0,0,0|2,1,0]=4 63 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,0,1,0,0,0|1,1,0]=3 65 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,0,1,0,0,0|2,0,0]=3 66 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,0,1,0,0,0|1,1,0]=3 67 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,0,1,0,0,0|1,1,0]=3 68 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,0,1,0,0,0|2,1,0]=4 69 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,0,1,0,0,0|2,1,0]=4 71 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,0,1,0,0,0|1,2,0]=4 72 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,0,1,0,0,0|2,1,0]=4 73 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,0,1,0,0,0|1,2,0]=4 74 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,0,1,0,0,0|1,1,0]=3 75 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,0,1,0,0,0|1,2,0]=4 76 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,0,1,0,0,0|2,1,0]=4 77 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,0,1,0,0,0|2,1,0]=4 79 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,0,1,0,0,0|2,1,0]=4 80 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,0,1,0,0,0|2,1,0]=4 81 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,0,1,0,0,0|2,1,0]=4 82 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,0,1,0,0,0|2,1,0]=4 83 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,0,1,0,0,0|2,1,0]=4 84 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,0,1,0,0,0|2,0,0]=3 85 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,0,1,0,0,0|2,1,0]=4 86 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,0,1,0,0,0|2,1,0]=4 88 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,0,1,0,0,0|1,1,0]=3 89 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,0,1,0,0,0|0,1,0]=2 90 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,0,1,0,0,0|0,1,0]=2 91 B12R1.49 [NH4]SC(=S)NC1=CC=C(C=C1)F S545155 [0,0,1,0,0,0|2,1,0]=4 92 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [0,0,1,0,0,0|2,1,0]=4 93 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,0,1,0,0,0|2,1,0]=4 94 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [0,0,0,0,0,1|3,0,0]=4 95 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,0,0,0,0,1|2,1,0]=4 96 B14R2.8235 O=C1NC2=CC=C(C=C2C(=O)O1)F CDS019993 [0,0,0,0,0,1|1,0,1]=3 97 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,0,0,0,0,1|2,0,1]=4 98 B14R2.8239 CC1=CC=C2NC(=O)C(OC2=C1)C OTV000465 [0,0,0,0,0,1|3,0,0]=4 99 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,0,0,0,0,1|1,1,1]=4 100 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,1,0,0,0|1,0,0]=3 101 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,1,0,0,0|1,1,0]=4 102 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,1,0,0,0|2,0,0]=4 103 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [1,0,1,0,0,0|1,1,0]=4 109 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,1,0,0,0|1,1,0]=4 111 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,1,0,0,0|0,1,0]=3 112 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,1,0,0,0|0,0,0]=2 113 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [1,0,1,0,0,0|0,2,0]=4 114 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [1,0,1,0,0,0|0,2,0]=4 115 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,1,0,0,0|1,1,0]=4 116 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,0,1,0,0,0|1,1,0]=4 117 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,0,1,0,0,0|0,0,0]=2 122 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [1,0,1,0,0,0|1,1,0]=4 125 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [1,0,1,0,0,0|1,1,0]=4 126 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [1,0,1,0,0,0|1,1,0]=4 127 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [1,0,1,0,0,0|1,1,0]=4 128 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,0,1,0,0,0|2,0,0]=4 131 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,0,1,0,0,0|1,1,0]=4 134 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,0,1,0,0,0|1,1,0]=4 135 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,1,0,0,0|1,0,0]=3 137 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,0,1,0,0,0|0,1,0]=3 139 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,0,1,0,0,0|0,1,0]=3 140 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [1,0,1,0,0,0|0,2,0]=4 141 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,0,1,0,0,0|1,1,0]=4 142 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [1,0,1,0,0,0|1,1,0]=4 145 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [1,0,1,0,0,0|1,1,0]=4 146 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [2,0,0,0,0,0|1,1,0]=4 147 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [2,0,0,0,0,0|0,0,2]=4 148 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [2,0,0,0,0,0|1,0,1]=4 149 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [2,0,0,0,0,0|2,0,0]=4 150 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [2,0,0,0,0,0|1,1,0]=4 151 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [2,0,0,0,0,0|1,1,0]=4 152 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [2,0,0,0,0,0|1,0,1]=4 153 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [2,0,0,0,0,0|1,0,1]=4 154 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [2,0,0,0,0,0|2,0,0]=4 155 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [2,0,0,0,0,0|1,0,1]=4 156 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [2,0,0,0,0,0|0,0,1]=3 157 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [2,0,0,0,0,0|2,0,0]=4 158 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [2,0,0,0,0,0|1,0,1]=4 159 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [2,0,0,0,0,0|1,0,1]=4 160 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,1,1,0,0,0|2,0,0]=4 161 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,1,1,0,0,0|1,0,0]=3 162 B13R1.19 CC1=CC=C(C=C1)NC(=O)/C=N/O L449466 [0,1,1,0,0,0|1,0,1]=4 163 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCO S652881 [0,1,1,0,0,0|2,0,0]=4 164 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,1,1,0,0,0|1,1,0]=4 165 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,1,1,0,0,0|2,0,0]=4 166 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,1,1,0,0,0|1,1,0]=4 167 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,1,1,0,0,0|1,1,0]=4 168 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)F TMT00076 [0,1,1,0,0,0|1,1,0]=4 169 B13R1.19 CONC(=O)NC1=CC=C(C=C1)Cl PH008685 [0,1,1,0,0,0|0,1,0]=3 170 B13R1.19 N#CCC(=O)NC1=CC=C(C=C1)F R613843 [0,1,1,0,0,0|2,0,0]=4 171 B13R1.19 N#CNC(=O)NC1=CC=C(C=C1)Cl S856533 [0,1,1,0,0,0|1,1,0]=4 172 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F S529540 [0,1,1,0,0,0|2,0,0]=4 173 B13R1.21 CN(C(=O)CCl)C1=CC=C(C=C1)F TMT00604 [0,1,1,0,0,0|2,0,0]=4 174 B13R1.133 CC1=CC=C(C=C1)NC(=O)N(C)C S613215 [0,1,1,0,0,0|2,0,0]=4 175 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)Br S597708 [0,1,1,0,0,0|1,1,0]=4 176 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)F S601640 [0,1,1,0,0,0|1,0,0]=3 177 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)I S905356 [0,1,1,0,0,0|1,1,0]=4 178 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,1,1,0,0,0|2,0,0]=4 179 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,1,1,0,0,0|2,0,0]=4 180 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,1,1,0,0,0|2,0,0]=4 181 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,1,1,0,0,0|1,1,0]=4 182 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,1,1,0,0,0|1,1,0]=4 183 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,1,1,0,0,0|0,1,0]=3 184 B13R1.2879 CC1=CC=C(C=C1Cl)NC(=O)NO S735493 [0,1,1,0,0,0|1,0,0]=3 185 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,1,1,0,0,0|2,0,0]=4 187 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,1,1,0,0,0|1,1,0]=4 188 B13R1.2879 NCC(=O)NC1=CC=C(C(=C1)F)F CDS010690 [0,1,1,0,0,0|2,0,0]=4 189 B13R1.2879 NNC(=S)NC1=CC=C(C(=C1)Cl)F S934763 [0,1,1,0,0,0|1,1,0]=4 190 B13R1.2879 O=C(CBr)NC1=CC(=C(C=C1)F)Cl R763136 [0,1,1,0,0,0|2,0,0]=4 191 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F JRD0742 [0,1,1,0,0,0|2,0,0]=4 192 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F TMT00145 [0,1,1,0,0,0|2,0,0]=4 193 B13R1.22 COC(=O)N(O)C1=CC(=CC=C1)Cl S857858 [0,1,1,0,0,0|1,1,0]=4 194 B13R1.716 COC(C(=O)O)C1=CC(=CC=C1)F PH018591 [0,1,1,0,0,0|2,0,0]=4 195 B13R1.897 O=C(O)C(O)C1=CC(=CC=C1F)F R436208 [0,1,1,0,0,0|2,0,0]=4 196 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [1,1,0,0,0,0|1,0,1]=4 197 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [1,1,0,0,0,0|0,0,0]=2 199 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [1,1,0,0,0,0|1,1,0]=4 203 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [1,1,0,0,0,0|1,1,0]=4 204 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R241830 [1,1,0,0,0,0|1,1,0]=4 205 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R587044 [1,1,0,0,0,0|1,1,0]=4 206 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [1,1,0,0,0,0|1,0,1]=4 212 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [1,1,0,0,0,0|2,0,0]=4 215 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [1,1,0,0,0,0|1,0,1]=4 217 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [1,1,0,0,0,0|1,0,1]=4 218 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [1,1,0,0,0,0|1,0,1]=4 219 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [1,1,0,0,0,0|1,0,1]=4 220 B13R2.3790 CN1C=NC2=CC=C(C(=C12)F)F CDS024497 [1,1,0,0,0,0|1,0,1]=4 221 B13R2.43 NCC1=NC2=CC(=CC=C2N1)F CDS023886 [1,1,0,0,0,0|1,0,1]=4 222 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)F CBR00282 [1,1,0,0,0,0|0,0,2]=4 223 B13R2.5397 CC1=CC2=C(NC(=S)N2)C(=C1)C L202940 [1,1,0,0,0,0|1,1,0]=4 224 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.13083 CC1=CC2=C(C=C1C)NC(=S)N2 R552097 [1,1,0,0,0,0|1,1,0]=4 226 B13R2.13083 NC1=CC2=C(C=C1N)NC(=O)N2 CBR00196 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [1,1,0,0,0,0|1,0,0]=3 228 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [1,1,0,0,0,0|1,0,0]=3 229 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [1,1,0,0,0,0|0,1,0]=3 230 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [1,1,0,0,0,0|1,1,0]=4 231 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [1,1,0,0,0,0|1,1,0]=4 232 B15R2.4807 COC1=CC=C2OCC(=O)N(C2=C1)O T320757 [0,1,0,0,0,1|2,0,0]=4 233 B15R2.13973 CC1(CC(=O)NC2=CC=C(C=C12)F)C CDS021211 [0,1,0,0,0,1|2,0,0]=4 234 B15R2.87983 CN1C(=NC2=C1C=C(C(=C2)F)F)C=O PH019154 [0,2,0,0,0,0|1,0,1]=4 235 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,1,1,0,0|2,0,0]=4 236 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,0,1,1,0,0|1,1,0]=4 237 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,0,1,0,1,0|1,1,0]=4 238 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,0,1,0,1,0|2,0,0]=4 239 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,0,1,0,1,0|1,0,0]=3 240 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,0,1,0,1,0|2,0,0]=4 241 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,0,1,0,1,0|2,0,0]=4 242 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,0,1,0,1,0|1,0,1]=4 243 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,0,1,0,0,1|1,1,0]=4 244 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [1,0,0,0,0,1|2,0,0]=4 245 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,0,0,0,0,1|1,0,0]=3 246 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [1,0,0,0,0,1|1,0,0]=3 247 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,1|2,0,0]=4 248 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,1|2,0,0]=4 249 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,1|2,0,0]=4 250 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,1|2,0,0]=4