0 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 C78415 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.3 COC1=CC=C(COC(=O)Cl)C=C1 D81342 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,0,0,0,0,0|2,1,1]=4 6 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,0,0,0,0,0|2,1,0]=4 14 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10832 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10833 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10923 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 W12578 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.3 COC1=CC=C(CC(=O)C(C)C)C=C1 N14180 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.3 COC1=CC=C(NC(=O)C(=O)O)C=C1 A12506 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 CS1068 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 AC2398 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.5 CCC(=O)\C=C\C1=CC=C(OC)C=C1 C71174 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 F11025 [0,1,0,0,0,0|1,0,1]=3 25 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 73373 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.103 COC1=CC(Br)=C(CCC(=O)O)C=C1 C90189 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 D72698 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.211 COC1=CC=C(CNS(C)(=O)=O)C=C1 W12342 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 O11075 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.419 CC(=O)OCC1=CC=C(C(=O)O)C=C1 AC4525 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 C75552 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 W18208 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)C2 O11607 [0,0,0,1,0,0|1,0,1]=3 34 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 52049 [0,0,0,1,0,0|2,0,1]=4 35 B14R2.134 COC1=CC2=C(C=C1)COC(=O)C2 54447 [0,0,0,1,0,0|0,0,0]=1 36 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y11365 [0,0,0,1,0,0|3,0,0]=4 37 B14R2.134 COC1=CC2=CC(C)=CC=C2C=C1 N14596 [0,0,0,1,0,0|2,0,1]=4 38 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 F14750 [0,0,0,1,0,0|2,0,1]=4 39 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 C78414 [0,0,0,1,0,0|2,0,1]=4 40 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,0,0,0,1,0|3,0,0]=4 41 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,0,0,0,1,0|2,0,0]=3 43 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,0,0,0,1,0|1,0,1]=3 44 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,0,0,0,1,0|0,0,0]=1 45 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,0,0,0,1,0|3,0,0]=4 48 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [2,0,0,0,0,0|0,0,1]=3 54 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [2,0,0,0,0,0|0,0,0]=2 60 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [2,0,0,0,0,0|0,1,0]=3 61 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.371 CCNCCC1=CC=C(OC)C=C1 F20083 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.371 COC1=CC=C(CNCCO)C=C1 W12818 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.371 COC1=CC=C(COCCO)C=C1 C72529 [1,1,0,0,0,0|0,0,1]=3 79 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 W11168 [1,1,0,0,0,0|0,0,2]=4 81 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 F30376 [0,1,0,0,1,0|1,0,1]=4 82 B13R1.35 COC1=C(C)C=C(NC(C)=O)C=C1 20576 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 28023 [0,1,0,0,1,0|1,0,0]=3 84 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,1,0,0,1,0|0,0,1]=3 85 B13R1.36 COC1=CC=C([C@@H](Br)C(=O)O)C=C1 F52417 [0,1,0,0,1,0|1,0,0]=3 86 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 27914 [0,1,0,0,1,0|1,0,0]=3 87 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 63436 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11808 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11809 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.142 CCOC1=CN=C(CC(=O)O)C=C1 CL0287 [0,1,0,0,1,0|2,0,0]=4 91 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 W12538 [0,1,0,0,1,0|2,0,0]=4 92 B13R1.585 CC(=O)NC1=CC=C([C@H](C)N)C=C1 F31042 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.585 CC(=O)OC1=CC=C(B(O)O)C=C1 33011 [0,1,0,0,1,0|2,0,0]=4 94 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 D88059 [0,1,0,0,1,0|1,0,0]=3 95 B13R1.61 COC(=O)CCC1=CC=C(OC)S1 D86562 [0,1,0,0,1,0|2,0,0]=4 96 B15R1.5 CSC1=CC=C(C(=O)CCC(C)=O)C=C1 D96619 [0,1,0,0,0,1|1,1,0]=4 97 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 O11919 [0,1,0,0,0,1|1,0,0]=3 98 B15R1.3778 COC1=C(C)C=C(CCCC(=O)O)C=C1 AB10156 [0,1,0,0,0,1|2,0,0]=4 99 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11051 [0,2,0,0,0,0|1,0,0]=3 100 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11052 [0,2,0,0,0,0|1,0,0]=3 101 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 W19173 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.219 COC1=CC=C(CN(C)S(C)(=O)=O)C=C1 94347 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y10837 [0,2,0,0,0,0|2,0,0]=4 104 B15R1.3779 COC(=O)CCC1=CC(O)=C(OC)C=C1 F20004 [0,2,0,0,0,0|1,0,0]=3 105 B15R1.1818 COC1=C(Br)C=C(CCC(=O)O)C(F)=C1 W10197 [0,2,0,0,0,0|2,0,0]=4 106 B15R1.56 CCCOC1=CC=C(CCC(=O)O)C=C1 A50646 [0,2,0,0,0,0|2,0,0]=4 107 B15R1.944 COC(=O)C1=CN=C(COC(C)=O)C=C1 W12042 [0,2,0,0,0,0|1,0,0]=3 108 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [1,0,0,1,0,0|1,0,0]=3 110 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [1,0,0,1,0,0|1,0,0]=3 113 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.57 COC1=CC2=C(C=C1)CCNC2 SC4358 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.669 COC1=CC2=C(C=C1)COC2=O N11857 [1,0,0,1,0,0|0,0,0]=2 116 B13R2.669 COC1=CC2=C(C=C1)OCC2=O P16854 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.669 CSC1=CC2=C(C=C1)CCC2=O A12032 [1,0,0,1,0,0|1,1,0]=4 118 B13R2.669 N#CC1=CC2=C(C=C1)COC2=O O11042 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.669 O=C1OCC2=C1C=C(CBr)C=C2 F13870 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,0,0,1,1,0|1,0,1]=4 121 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,0,0,1,1,0|1,0,1]=4 122 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,0,0,1,1,0|1,1,0]=4 123 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [0,0,0,1,1,0|2,0,0]=4 124 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,0,0,1,1,0|2,0,0]=4 125 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 F50763 [0,0,0,1,1,0|2,0,0]=4 126 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [0,0,0,1,1,0|1,1,0]=4 127 B13R2.2121 COC1=NC2=C(C=C1)CC(=O)N2 P20330 [0,0,0,1,1,0|2,0,0]=4 128 B15R2.2 COC1=CC=C([C@@H]2CNC(=O)C2)C=C1 65760 [0,0,0,1,0,1|1,0,0]=3 129 B15R2.2 COC1=CC=C([C@H]2CCC(=O)C2)C=C1 53487 [0,0,0,1,0,1|1,0,0]=3 130 B15R2.451 COC1=CC=C(C2CC2C(=O)O)C=C1 F51907 [0,0,0,1,0,1|2,0,0]=4 131 B15R2.2880 COC1=CC2=C(C=C1)CCCC(=O)N2 N13124 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.2880 COC1=CC2=C(C=CNC(=O)C2)C=C1 76442 [0,0,0,1,0,1|1,0,1]=4 133 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 C10355 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [1,0,0,0,1,0|2,0,0]=4 135 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [1,0,0,0,1,0|2,0,0]=4 136 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [1,0,0,0,1,0|2,0,0]=4 137 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [1,0,0,0,1,0|1,0,1]=4 138 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [1,0,0,0,1,0|2,0,0]=4 139 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [1,0,0,0,1,0|1,0,1]=4 140 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,0,0,0,1,0|2,0,0]=4 141 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [1,0,0,0,1,0|1,1,0]=4 142 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [1,0,0,0,1,0|2,0,0]=4 143 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,0,0,0,2,0|1,0,1]=4 144 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,0,0,0,2,0|1,0,0]=3 145 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,0,0,0,2,0|2,0,0]=4 146 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,0,0,0,2,0|0,0,2]=4 147 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,0,0,0,2,0|0,0,2]=4 148 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,0,0,0,2,0|2,0,0]=4 149 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,0,0,0,2,0|2,0,0]=4 150 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,0,0,0,2,0|2,0,0]=4 151 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [1,0,0,0,0,1|2,0,0]=4 152 B13R1.643 COC1=CC(CCC(=O)O)=CN=C1 72579 [0,0,0,0,1,1|2,0,0]=4 153 B13R1.643 COC1=CC=CC(COC(=O)Cl)=C1 D80875 [0,0,0,0,1,1|1,0,0]=3