0 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,0,0,0,0,0|2,0,2]=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|2,0,0]=2 3 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,0,0,0,0,0|1,1,2]=4 6 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,0,0,0,0,0|1,1,0]=3 16 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [1,0,0,0,0,0|1,0,1]=3 18 B12R1.71 COC1=CC=C(OCCBr)C=C1 F30177 [1,0,0,0,0,0|2,0,1]=4 19 B14R1.2 CC(=O)CC(=O)C1=CC=C(C#N)C=C1 79602 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10832 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10833 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10923 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.2 N#CC1=CC=C([C@@H](N)CC(=O)O)C=C1 77778 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50672 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 W12578 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 N10760 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.3 COC1=CC=C(CC(=O)C(C)C)C=C1 N14180 [0,1,0,0,0,0|1,0,2]=4 28 B14R1.3 COC1=CC=C(NC(=O)C(=O)O)C=C1 A12506 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 CS1068 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 AC2398 [0,1,0,0,0,0|1,0,1]=3 31 B14R1.5 CCC(=O)\C=C\C1=CC=C(OC)C=C1 C71174 [0,1,0,0,0,0|0,0,2]=3 32 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 F11025 [0,1,0,0,0,0|0,0,2]=3 33 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 73373 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.103 COC1=CC(Br)=C(CCC(=O)O)C=C1 C90189 [0,1,0,0,0,0|1,0,0]=2 35 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 D72698 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.211 COC1=CC=C(CNS(C)(=O)=O)C=C1 W12342 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.419 CC(=O)CCC1=CC=C([N+](=O)[O-])C=C1 O11075 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.419 CC(=O)OCC1=CC=C(C(=O)O)C=C1 AC4525 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 C75552 [0,1,0,0,0,0|1,0,2]=4 40 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 W18208 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)C2 O11607 [0,0,0,1,0,0|1,0,1]=3 42 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 52049 [0,0,0,1,0,0|1,0,1]=3 43 B14R2.134 COC1=CC2=C(C=C1)COC(=O)C2 54447 [0,0,0,1,0,0|1,0,0]=2 44 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y11365 [0,0,0,1,0,0|2,0,1]=4 45 B14R2.134 COC1=CC2=CC(C)=CC=C2C=C1 N14596 [0,0,0,1,0,0|1,0,2]=4 46 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 F14750 [0,0,0,1,0,0|1,0,2]=4 47 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 D73346 [0,0,0,1,0,0|3,0,0]=4 48 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 C78414 [0,0,0,1,0,0|2,0,1]=4 49 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,0,0,0,1,0|3,0,0]=4 50 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,0,0,0,1,0|3,0,0]=4 51 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,0,0,0,1,0|2,0,0]=3 52 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,0,0,0,1,0|1,0,1]=3 53 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,0,0,0,1,0|1,0,0]=2 54 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,0,0,0,1,0|3,0,0]=4 56 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,0,0,0,1,0|3,0,0]=4 57 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,0,0,0,1,0|3,0,0]=4 58 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [2,0,0,0,0,0|0,0,1]=3 60 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [2,0,0,0,0,0|0,0,0]=2 67 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [2,0,0,0,0,0|0,0,2]=4 68 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [2,0,0,0,0,0|1,0,0]=3 73 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [2,0,0,0,0,0|0,0,0]=2 78 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [2,0,0,0,0,0|1,0,0]=3 79 B11R1.83 COC1=NC=C(CCN)C=C1 72625 [2,0,0,0,0,0|2,0,0]=4 80 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.14 COC(=O)CCC1=CN=C(N)C=C1 76336 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 C14201 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 C75289 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [1,1,0,0,0,0|1,0,1]=4 86 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56502 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56504 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 F16882 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Y10682 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 Y10448 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61114 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50481 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [1,1,0,0,0,0|1,0,0]=3 98 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [1,1,0,0,0,0|1,0,0]=3 102 B13R1.164 CC1=NC(C)=C(CCC(=O)O)C=C1 W13668 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 Y10269 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.164 O=C(O)CCC1=C(O)C=C(O)C=C1 I11543 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [1,1,0,0,0,0|0,0,2]=4 108 B13R1.511 CC1=C(Br)C=C(CCC(=O)O)C=C1 F52888 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.511 CC1=C(F)C=C(CCC(=O)O)C=C1 F52900 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.511 CC1=C(F)C=CC(CCC(=O)O)=C1 F52891 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 F52878 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [1,1,0,0,0,0|0,0,2]=4 114 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [1,1,0,0,0,0|0,0,0]=2 115 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 N11303 [1,1,0,0,0,0|0,0,2]=4 116 B13R1.75 COC1=CC(F)=C(CCC#N)C=C1 W12394 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.75 COCOC1=C(Br)C=C(OC)C=C1 W10828 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.371 CCNCCC1=CC=C(OC)C=C1 F20083 [1,1,0,0,0,0|0,0,1]=3 119 B13R1.371 COC1=CC=C(CNCC#N)C=C1 74416 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.371 COC1=CC=C(CNCCO)C=C1 W12818 [1,1,0,0,0,0|0,0,2]=4 121 B13R1.371 COC1=CC=C(COCCO)C=C1 C72529 [1,1,0,0,0,0|0,0,2]=4 122 B13R1.371 COC1=CC=C(OCCC#N)C=C1 W10836 [1,1,0,0,0,0|1,0,1]=4 123 B13R1.371 COC1=CC=C(OCCCN)C=C1 AC7558 [1,1,0,0,0,0|1,0,1]=4 124 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [1,1,0,0,0,0|0,0,1]=3 125 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 F30376 [0,1,0,0,1,0|1,0,1]=4 126 B13R1.35 COC1=C(C)C=C(NC(C)=O)C=C1 20576 [0,1,0,0,1,0|1,0,0]=3 127 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 28023 [0,1,0,0,1,0|1,0,0]=3 128 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,1,0,0,1,0|0,0,1]=3 129 B13R1.36 COC1=CC=C([C@@H](Br)C(=O)O)C=C1 F52417 [0,1,0,0,1,0|1,0,0]=3 130 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 27914 [0,1,0,0,1,0|1,0,0]=3 131 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 63436 [0,1,0,0,1,0|1,0,0]=3 132 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11808 [0,1,0,0,1,0|1,0,0]=3 133 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11809 [0,1,0,0,1,0|1,0,0]=3 134 B13R1.142 CCOC1=CN=C(CC(=O)O)C=C1 CL0287 [0,1,0,0,1,0|2,0,0]=4 135 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 W12538 [0,1,0,0,1,0|2,0,0]=4 136 B13R1.585 CC(=O)NC1=CC=C([C@H](C)N)C=C1 F31042 [0,1,0,0,1,0|2,0,0]=4 137 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 D88059 [0,1,0,0,1,0|2,0,0]=4 138 B13R1.61 COC(=O)CCC1=CC=C(OC)S1 D86562 [0,1,0,0,1,0|1,0,0]=3 139 B15R1.5 CSC1=CC=C(C(=O)CCC(C)=O)C=C1 D96619 [0,1,0,0,0,1|0,1,0]=3 140 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 O11919 [0,1,0,0,0,1|0,0,0]=2 141 B15R1.3778 COC1=C(C)C=C(CCCC(=O)O)C=C1 AB10156 [0,1,0,0,0,1|1,0,0]=3 142 B15R1.5504 CN(C)C1=CC=C([C@@H](N)CC(=O)O)C=C1 Y11697 [0,2,0,0,0,0|2,0,0]=4 143 B15R1.5504 CN(C)C1=CC=C([C@@H](N)CC(=O)O)C=C1 Y11746 [0,2,0,0,0,0|2,0,0]=4 144 B15R1.5504 CN(C)C1=CC=C([C@@H](N)CC(=O)O)C=C1 Y12885 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(C#N)C=C1 W15799 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11051 [0,2,0,0,0,0|0,0,0]=2 147 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11052 [0,2,0,0,0,0|0,0,0]=2 148 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 W19173 [0,2,0,0,0,0|0,0,0]=2 149 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 AB9558 [0,2,0,0,0,0|2,0,0]=4 150 B15R1.219 COC1=CC=C(CN(C)S(C)(=O)=O)C=C1 94347 [0,2,0,0,0,0|2,0,0]=4 151 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 22915 [0,2,0,0,0,0|2,0,0]=4 152 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 73534 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y10837 [0,2,0,0,0,0|1,0,0]=3 154 B15R1.793 CCOC(=O)CCC1=CC=C(C#N)C=C1 20794 [0,2,0,0,0,0|2,0,0]=4 155 B15R1.793 CCOC(=O)CCC1=CC=C(CO)C=C1 S10348 [0,2,0,0,0,0|2,0,0]=4 156 B15R1.3779 COC(=O)CCC1=CC(O)=C(OC)C=C1 F20004 [0,2,0,0,0,0|0,0,0]=2 157 B15R1.1818 COC1=C(Br)C=C(CCC(=O)O)C(F)=C1 W10197 [0,2,0,0,0,0|1,0,0]=3 158 B15R1.56 CCCOC1=CC=C(CCC(=O)O)C=C1 A50646 [0,2,0,0,0,0|1,0,0]=3 159 B15R1.944 COC(=O)C1=CC=C(OCC(=O)O)C=C1 71816 [0,2,0,0,0,0|2,0,0]=4 160 B15R1.944 COC(=O)C1=CN=C(COC(C)=O)C=C1 W12042 [0,2,0,0,0,0|2,0,0]=4 161 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [1,0,0,1,0,0|1,0,0]=3 162 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [1,0,0,1,0,0|0,0,0]=2 163 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [1,0,0,1,0,0|2,0,0]=4 164 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [1,0,0,1,0,0|1,0,0]=3 165 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [1,0,0,1,0,0|2,0,0]=4 166 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [1,0,0,1,0,0|0,0,0]=2 168 B13R2.57 COC1=CC2=C(C=C1)CCCN2 26959 [1,0,0,1,0,0|1,0,1]=4 169 B13R2.57 COC1=CC2=C(C=C1)CCCN2 N13147 [1,0,0,1,0,0|1,0,1]=4 170 B13R2.57 COC1=CC2=C(C=C1)CCCO2 Y12024 [1,0,0,1,0,0|0,0,2]=4 171 B13R2.57 COC1=CC2=C(C=C1)CCNC2 SC4358 [1,0,0,1,0,0|1,0,0]=3 172 B13R2.57 COC1=CC2=C(C=C1)OCCC2 N11283 [1,0,0,1,0,0|1,0,1]=4 173 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N 20107 [1,0,0,1,0,0|1,0,1]=4 174 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N 20109 [1,0,0,1,0,0|1,0,1]=4 175 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N 20714 [1,0,0,1,0,0|1,0,1]=4 176 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N P10410 [1,0,0,1,0,0|1,0,1]=4 177 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N P10411 [1,0,0,1,0,0|1,0,1]=4 178 B13R2.669 COC1=CC2=C(C=C1)COC2=O N11857 [1,0,0,1,0,0|1,0,0]=3 179 B13R2.669 COC1=CC2=C(C=C1)OCC2=O P16854 [1,0,0,1,0,0|1,0,0]=3 180 B13R2.669 CSC1=CC2=C(C=C1)CCC2=O A12032 [1,0,0,1,0,0|0,1,0]=3 181 B13R2.669 N#CC1=CC2=C(C=C1)CCC2=O 83495 [1,0,0,1,0,0|2,0,0]=4 182 B13R2.669 O=C1CCC2=C1C=C(CO)C=C2 C73687 [1,0,0,1,0,0|2,0,0]=4 183 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,0,0,1,1,0|1,0,1]=4 184 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,0,0,1,1,0|1,0,1]=4 185 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,0,0,1,1,0|1,1,0]=4 186 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [0,0,0,1,1,0|2,0,0]=4 187 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,0,0,1,1,0|2,0,0]=4 188 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [0,0,0,1,1,0|2,0,0]=4 189 B13R2.2121 COC1=NC2=C(C=C1)CC(=O)N2 P20330 [0,0,0,1,1,0|2,0,0]=4 190 B15R2.2 COC1=CC=C(C2CCC(O)C2)C=C1 F30879 [0,0,0,1,0,1|0,0,2]=4 191 B15R2.2 COC1=CC=C([C@@H]2CNC(=O)C2)C=C1 65760 [0,0,0,1,0,1|0,0,0]=2 192 B15R2.2 COC1=CC=C([C@H]2CCC(=O)C2)C=C1 53487 [0,0,0,1,0,1|0,0,0]=2 193 B15R2.2 N#CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53483 [0,0,0,1,0,1|2,0,0]=4 194 B15R2.451 COC1=CC=C(C2CC2C(=O)O)C=C1 F51907 [0,0,0,1,0,1|1,0,0]=3 195 B15R2.2880 COC1=CC2=C(C=C1)CCCC(=O)N2 N13124 [0,0,0,1,0,1|1,0,0]=3 196 B15R2.2880 COC1=CC2=C(C=CNC(=O)C2)C=C1 76442 [0,0,0,1,0,1|0,0,2]=4 197 B15R2.7883 COC1=CC=C(C2(N)CC(O)C2)C=C1 D80915 [0,1,0,1,0,0|0,0,2]=4 198 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)CCC2 Y11800 [0,1,0,1,0,0|2,0,0]=4 199 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 C10355 [0,1,0,1,0,0|1,0,0]=3 200 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [1,0,0,0,1,0|2,0,0]=4 201 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [1,0,0,0,1,0|2,0,0]=4 202 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [1,0,0,0,1,0|2,0,0]=4 203 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [1,0,0,0,1,0|1,0,1]=4 204 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [1,0,0,0,1,0|2,0,0]=4 205 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [1,0,0,0,1,0|1,0,1]=4 206 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,0,0,0,1,0|2,0,0]=4 207 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [1,0,0,0,1,0|1,1,0]=4 208 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [1,0,0,0,1,0|2,0,0]=4 209 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [1,0,0,0,1,0|2,0,0]=4 210 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [1,0,0,0,1,0|2,0,0]=4 211 B11R1.75 CC1=CSC(CCC(=O)O)=C1 72711 [1,0,0,0,1,0|2,0,0]=4 212 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,0,0,0,2,0|1,0,1]=4 213 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,0,0,0,2,0|1,0,0]=3 214 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,0,0,0,2,0|2,0,0]=4 215 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,0,0,0,2,0|0,0,2]=4 216 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,0,0,0,2,0|0,0,2]=4 217 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,0,0,0,2,0|2,0,0]=4 218 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,0,0,0,2,0|2,0,0]=4 219 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,0,0,0,2,0|2,0,0]=4 220 B13R1.513 CC(=O)NCCC1=CC=C(N)C=C1 AB10208 [1,0,0,0,0,1|1,0,0]=3 221 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 C75405 [1,0,0,0,0,1|2,0,0]=4 222 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 C77069 [1,0,0,0,0,1|2,0,0]=4 223 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 D86561 [1,0,0,0,0,1|2,0,0]=4 224 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 71386 [1,0,0,0,0,1|2,0,0]=4 225 B13R1.643 COC1=CC(CCC(=O)O)=CN=C1 72579 [0,0,0,0,1,1|1,0,0]=3 226 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 72054 [0,0,0,0,1,1|2,0,0]=4 227 B13R1.643 COC1=CC=CC(COC(=O)Cl)=C1 D80875 [0,0,0,0,1,1|2,0,0]=4 228 B15R1.4 COC1=CC=C(CCNC[C@H](C)O)C=C1 W13488 [0,0,0,0,0,2|0,0,2]=4