0 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 D71192 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCCC1=CC=CC=C1 F51620 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.718 COC(=O)CCNC1=CC=CC=C1 23758 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.718 COC(=O)CCNC1=NC=CC=C1 D97570 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.718 COC(=O)CNCC1=CC=CC=C1 C10651 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.718 COC(=O)CNCC1=CC=CC=C1 FD21606 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.8 CCCCCCC1=NC=CC=C1 D83986 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 CCCCCC[N+]1=CC=CC=C1 D94652 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [1,0,0,0,0,0|1,0,2]=4 20 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [1,0,0,0,0,0|1,0,2]=4 21 B12R1.252 Cl[SiH](Cl)CCCC1=CC=CC=C1 D95413 [1,0,0,0,0,0|2,1,0]=4 22 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [1,0,0,0,0,0|0,0,2]=3 32 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [1,0,0,0,0,0|0,0,1]=2 33 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 AB10050 [0,1,0,0,0,0|0,0,1]=2 34 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 L10157 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AR3071 [0,1,0,0,0,0|0,0,0]=1 36 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 SC3891 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26430 [0,1,0,0,0,0|1,0,0]=2 38 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26460 [0,1,0,0,0,0|1,0,0]=2 39 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 30644 [0,1,0,0,0,0|1,0,0]=2 40 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 25121 [0,1,0,0,0,0|1,0,0]=2 41 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 W12967 [0,1,0,0,0,0|2,0,0]=3 42 B14R1.546 COC(CNCC1=CC=CC=C1)OC W10005 [0,1,0,0,0,0|1,0,2]=4 43 B14R1.546 COC(COCC1=CC=CC=C1)OC 77738 [0,1,0,0,0,0|1,0,2]=4 44 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AB7590 [0,1,0,0,0,0|0,0,1]=2 45 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 I10608 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 D83920 [0,1,0,0,0,0|0,0,0]=1 47 B14R1.6449 C=C(C)C(=O)NCCC1=CC=CC=C1 D93812 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 53982 [0,0,0,1,0,0|2,0,0]=3 49 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [0,0,0,1,0,0|0,0,0]=1 50 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [0,0,0,1,0,0|1,0,0]=2 51 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [0,0,0,1,0,0|1,0,0]=2 52 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65775 [0,0,0,1,0,0|1,2,0]=4 53 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65778 [0,0,0,1,0,0|1,2,0]=4 54 B14R2.68 CN1CCC(C2=CC=CC=C2)CC1 S11243 [0,0,0,1,0,0|3,0,0]=4 55 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 84301 [0,0,0,1,0,0|1,0,0]=2 56 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 65144 [0,0,0,1,0,0|2,0,0]=3 57 B14R2.68 O[C@H]1CC[C@@H](C2=CC=CC=C2)CC1 D80500 [0,0,0,1,0,0|1,0,2]=4 58 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AB9732 [0,0,0,1,0,0|1,0,2]=4 59 B14R2.95 COC(=O)C1=CSC2=C1C=CC=C2 D97365 [0,0,0,1,0,0|1,0,2]=4 60 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 26041 [0,0,0,1,0,0|2,0,1]=4 61 B14R2.95 COC(=O)C1=NOC2=C1C=CC=C2 W10270 [0,0,0,1,0,0|2,0,1]=4 62 B14R2.95 COC(=O)[C@@H]1CNC2=C1C=CC=C2 AB9733 [0,0,0,1,0,0|1,0,0]=2 63 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 71107 [0,0,0,1,0,0|3,0,0]=4 64 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 87488 [0,0,0,0,1,0|2,0,1]=4 65 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 AB6137 [0,0,0,0,1,0|2,0,1]=4 66 B12R1.27 COC(=O)C#CC1=CC=CC=C1 D70333 [0,0,0,0,1,0|0,0,2]=3 67 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [0,0,0,0,1,0|0,0,0]=1 68 B12R1.27 COC(=O)CCC1=CN=CC=C1 D94758 [0,0,0,0,1,0|1,0,0]=2 69 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [0,0,0,0,1,0|1,0,0]=2 70 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [0,0,0,0,1,0|0,0,2]=3 71 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 AT14565 [0,0,0,0,1,0|1,0,2]=4 72 B12R1.27 NCC(=O)NCC1=CC=CC=C1 D97353 [0,0,0,0,1,0|3,0,0]=4 73 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F21128 [0,0,0,0,1,0|3,0,0]=4 74 B12R1.27 NCC(=O)OCC1=CC=CC=C1 20050 [0,0,0,0,1,0|3,0,0]=4 75 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21614 [0,0,0,0,1,0|3,0,0]=4 76 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21621 [0,0,0,0,1,0|3,0,0]=4 77 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [0,0,0,0,1,0|2,0,0]=3 78 B12R1.27 NNC(=O)COC1=CC=CC=C1 D84136 [0,0,0,0,1,0|3,0,0]=4 79 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [0,0,0,0,1,0|3,0,0]=4 80 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 P19617 [0,0,0,0,1,0|3,0,0]=4 81 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 S11886 [0,0,0,0,1,0|3,0,0]=4 82 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 76813 [0,0,0,0,1,0|3,0,0]=4 83 B12R1.27 O=C(CO)OCC1=CC=CC=C1 AB8174 [0,0,0,0,1,0|3,0,0]=4 84 B12R1.27 O=C(CS)OCC1=CC=CC=C1 D96019 [0,0,0,0,1,0|3,0,0]=4 85 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [0,0,0,0,1,0|3,0,0]=4 86 B14R1.716 CCC(=O)OC\C=C\C1=CC=CC=C1 D89507 [0,0,0,0,0,1|1,0,2]=4 87 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 D92108 [0,0,0,0,0,1|0,0,0]=1 88 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 AB7459 [0,0,0,0,0,1|0,0,0]=1 89 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.28 C=CCNCC1=CC=CC=C1 51314 [2,0,0,0,0,0|1,0,1]=4 91 B11R1.28 C=CCNCC1=CC=CC=C1 51315 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.28 C=CCOCC1=CC=CC=C1 CS1050 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [2,0,0,0,0,0|0,0,1]=3 94 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [2,0,0,0,0,0|1,0,1]=4 95 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [2,0,0,0,0,0|1,0,1]=4 96 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.28 COCCNC1=NC=CC=C1 D94270 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.28 COCCSC1=CC=CC=C1 W18561 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [2,0,0,0,0,0|1,0,1]=4 100 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [2,0,0,0,0,0|1,0,1]=4 101 B11R1.28 O=C=NCCC1=CC=CC=C1 D92144 [2,0,0,0,0,0|1,0,1]=4 102 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [2,0,0,0,0,0|0,0,0]=2 103 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [2,0,0,0,0,0|1,0,0]=3 104 B11R1.28 OCCCCC1=CC=CC=C1 70774 [2,0,0,0,0,0|0,0,1]=3 105 B11R1.28 OCCCCC1=CC=NC=C1 30651 [2,0,0,0,0,0|1,0,1]=4 106 B11R1.28 OCCCCC1=CN=CC=C1 32381 [2,0,0,0,0,0|1,0,1]=4 107 B11R1.28 OCCCNC1=CC=CC=C1 D88515 [2,0,0,0,0,0|1,0,1]=4 108 B11R1.28 OCCCOC1=CC=CC=C1 A50719 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [2,0,0,0,0,0|1,0,1]=4 110 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [2,0,0,0,0,0|1,0,1]=4 111 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 28501 [1,1,0,0,0,0|1,0,1]=4 112 B13R1.9 CCCCCCC1=CC=C(N)C=C1 O11232 [1,1,0,0,0,0|1,0,1]=4 113 B13R1.9 CCCCCCC1=CC=C(O)C=C1 D90917 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.24 CCCCC[C@H](O)C1=CC=CC=C1 D92145 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.28 BrCCCCCCC1=CC=CC=C1 D70348 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.28 OC\C=C\COCC1=CC=CC=C1 D93011 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 D78382 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [1,1,0,0,0,0|1,0,1]=4 119 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 30438 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 31345 [1,1,0,0,0,0|1,0,0]=3 122 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CX1085 [1,1,0,0,0,0|0,0,1]=3 123 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 S11321 [1,1,0,0,0,0|1,0,1]=4 124 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 D77774 [1,1,0,0,0,0|1,0,1]=4 125 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 F13630 [1,1,0,0,0,0|0,0,0]=2 126 B13R1.149 O=C(O)CCNC1=CC=CC(Br)=N1 E72143 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 20761 [1,1,0,0,0,0|0,0,0]=2 128 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 W12469 [1,1,0,0,0,0|1,0,0]=3 129 B13R1.348 CC(C)C[C@H](O)CC1=CC=CC=C1 D91564 [1,1,0,0,0,0|1,0,1]=4 130 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 93824 [1,1,0,0,0,0|1,0,0]=3 131 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 50990 [1,1,0,0,0,0|0,0,0]=2 132 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 F12089 [1,1,0,0,0,0|0,0,0]=2 133 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10310 [1,1,0,0,0,0|0,0,0]=2 134 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C10936 [1,1,0,0,0,0|1,0,0]=3 135 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O O10204 [1,1,0,0,0,0|1,0,0]=3 136 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28665 [1,1,0,0,0,0|0,0,0]=2 137 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28667 [1,1,0,0,0,0|0,0,0]=2 138 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 31133 [1,1,0,0,0,0|0,0,0]=2 139 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 62300 [1,1,0,0,0,0|0,0,0]=2 140 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O FD21309 [1,1,0,0,0,0|1,0,0]=3 141 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 C10644 [1,1,0,0,0,0|0,0,1]=3 142 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 59160 [1,1,0,0,0,0|0,0,0]=2 143 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 O10214 [1,1,0,0,0,0|0,0,0]=2 144 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 Y10620 [1,1,0,0,0,0|1,0,0]=3 145 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 66770 [1,1,0,0,0,0|0,0,0]=2 146 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 33990 [1,1,0,0,0,0|0,0,0]=2 147 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 F13641 [1,1,0,0,0,0|0,0,0]=2 148 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 S10904 [1,1,0,0,0,0|0,0,0]=2 149 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 61020 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 VT1082 [1,1,0,0,0,0|0,0,0]=2 151 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 25617 [1,1,0,0,0,0|0,0,0]=2 152 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 AC7980 [1,1,0,0,0,0|1,0,0]=3 153 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 75626 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 C73797 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 BL009552 [0,1,0,0,1,0|0,0,1]=3 156 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 29190 [0,1,0,0,1,0|1,0,1]=4 157 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 AB9779 [0,1,0,0,1,0|1,0,1]=4 158 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 AB9778 [0,1,0,0,1,0|1,0,1]=4 159 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 36602 [0,1,0,0,1,0|2,0,0]=4 160 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75006 [0,1,0,0,1,0|0,0,0]=2 161 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 36030 [0,1,0,0,1,0|0,0,0]=2 162 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 AB7500 [0,1,0,0,1,0|0,0,0]=2 163 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 AB7531 [0,1,0,0,1,0|0,0,0]=2 164 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 N12285 [0,1,0,0,1,0|0,0,0]=2 165 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 35778 [0,1,0,0,1,0|0,0,0]=2 166 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 68784 [0,1,0,0,1,0|1,0,0]=3 167 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AC8692 [0,1,0,0,1,0|0,0,2]=4 168 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 F14966 [0,1,0,0,1,0|0,0,2]=4 169 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 H11404 [0,1,0,0,1,0|0,0,2]=4 170 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 35678 [0,1,0,0,1,0|0,0,2]=4 171 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 W11678 [0,1,0,0,1,0|0,0,2]=4 172 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 35803 [0,1,0,0,1,0|0,0,2]=4 173 B13R1.15 CCC(=O)NCC1=CC=CC(Br)=C1 71745 [0,1,0,0,1,0|2,0,0]=4 174 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 AB7481 [0,1,0,0,1,0|0,0,0]=2 175 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 AB7499 [0,1,0,0,1,0|0,0,0]=2 176 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 W17760 [0,1,0,0,1,0|0,0,2]=4 177 B13R1.15 COC(=O)\C=C\C1=CC=CC(Br)=C1 AB7476 [0,1,0,0,1,0|0,0,2]=4 178 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20665 [0,1,0,0,1,0|0,0,2]=4 179 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 AC2389 [0,1,0,0,1,0|0,0,0]=2 180 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 28520 [0,1,0,0,1,0|0,0,0]=2 181 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 30761 [0,1,0,0,1,0|0,0,0]=2 182 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 73273 [0,1,0,0,1,0|0,0,0]=2 183 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 23790 [0,1,0,0,1,0|0,0,0]=2 184 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 FD1247 [0,1,0,0,1,0|0,0,0]=2 185 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 FD1253 [0,1,0,0,1,0|0,0,0]=2 186 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 AB3933 [0,1,0,0,1,0|0,0,0]=2 187 B13R1.528 COC(=O)CCC1=C(F)C=CC=C1 AB9717 [0,1,0,0,1,0|0,0,0]=2 188 B13R1.528 COC(=O)\C=C\C1=C(Cl)C=CC=C1 AR3005 [0,1,0,0,1,0|0,0,2]=4 189 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 D84598 [0,1,0,0,1,0|0,0,2]=4 190 B15R1.741 COC(=O)C=C(C)CCC1=CC=CC=C1 D86931 [0,1,0,0,0,1|0,0,1]=3 191 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 RB3055 [0,1,0,0,0,1|0,0,1]=3 192 B15R1.741 COC(=O)C[C@H](C)NCC1=CC=CC=C1 55927 [0,1,0,0,0,1|0,0,0]=2 193 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 D92099 [0,1,0,0,0,1|0,0,0]=2 194 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 60927 [0,1,0,0,0,1|0,0,0]=2 195 B15R1.778 CCOC(=O)\C=C\CCC1=CC=CC=C1 D93497 [0,1,0,0,0,1|0,0,1]=3 196 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 29605 [0,1,0,0,0,1|0,0,0]=2 197 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 C10388 [0,1,0,0,0,1|0,0,0]=2 198 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 FD21334 [0,1,0,0,0,1|0,0,0]=2 199 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 46624 [0,1,0,0,0,1|0,0,0]=2 200 B15R1.3664 C=C(C)C(=O)OCCCC1=CC=NC=C1 D94071 [0,1,0,0,0,1|2,0,0]=4 201 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 24945 [0,2,0,0,0,0|0,0,0]=2 202 B15R1.112 CC(C)C(=O)NCCC1=CC=C(Br)C=C1 AB8427 [0,2,0,0,0,0|2,0,0]=4 203 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C)C=C1 30831 [0,2,0,0,0,0|0,0,1]=3 204 B15R1.132 COC(=O)CCC(=O)C1=CC=C(F)C=C1 30520 [0,2,0,0,0,0|0,0,1]=3 205 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 20537 [0,2,0,0,0,0|1,0,1]=4 206 B15R1.89 CCOC(=O)CN[C@@H](C)C1=CC=CC=C1 31297 [0,2,0,0,0,0|1,0,0]=3 207 B15R1.89 CCOC(=O)CN[C@@H](C)C1=CC=CC=C1 32584 [0,2,0,0,0,0|1,0,0]=3 208 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 D97355 [0,2,0,0,0,0|0,0,2]=4 209 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 AC8658 [0,2,0,0,0,0|0,0,1]=3 210 B15R1.826 CCOC(=O)C(=O)NCC1=CC=CC=C1 71160 [0,2,0,0,0,0|1,0,1]=4 211 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 60854 [0,2,0,0,0,0|0,0,0]=2 212 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 60862 [0,2,0,0,0,0|0,0,0]=2 213 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 26200 [0,2,0,0,0,0|0,0,0]=2 214 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 23405 [0,2,0,0,0,0|1,0,0]=3 215 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 31153 [0,2,0,0,0,0|1,0,0]=3 216 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 27704 [1,0,0,1,0,0|1,0,1]=4 217 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 69510 [1,0,0,1,0,0|2,0,0]=4 218 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 69511 [1,0,0,1,0,0|2,0,0]=4 219 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 72068 [1,0,0,1,0,0|1,0,1]=4 220 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 74965 [1,0,0,1,0,0|1,0,1]=4 221 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 75899 [1,0,0,1,0,0|1,0,1]=4 222 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 50833 [1,0,0,1,0,0|1,0,1]=4 223 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 S12011 [1,0,0,1,0,0|1,0,1]=4 224 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 P10024 [1,0,0,1,0,0|2,0,0]=4 225 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 AR1412 [1,0,0,1,0,0|1,0,1]=4 226 B13R2.1613 O\N=C1/CCCC2=C1C=CC=C2 AB3671 [1,0,0,1,0,0|2,0,0]=4 227 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 98138 [1,0,0,1,0,0|1,0,1]=4 228 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 I10135 [1,0,0,1,0,0|1,0,1]=4 229 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 D78316 [1,0,0,1,0,0|2,0,0]=4 230 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [1,0,0,1,0,0|0,0,0]=2 231 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 65136 [1,0,0,1,0,0|1,0,1]=4 232 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [1,0,0,1,0,0|1,0,0]=3 233 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [1,0,0,1,0,0|2,0,0]=4 234 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [1,0,0,1,0,0|2,0,0]=4 235 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [1,0,0,1,0,0|2,0,0]=4 236 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 71031 [1,0,0,1,0,0|1,0,0]=3 237 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 71093 [1,0,0,1,0,0|0,0,2]=4 238 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 25152 [1,0,0,1,0,0|0,0,0]=2 239 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 23936 [1,0,0,1,0,0|1,0,0]=3 240 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 25949 [1,0,0,1,0,0|2,0,0]=4 241 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P17280 [1,0,0,1,0,0|0,0,0]=2 242 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 55229 [1,0,0,1,0,0|0,0,0]=2 243 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 55235 [1,0,0,1,0,0|0,0,0]=2 244 B13R2.3122 C[C@]1(O)CCCC2=C1C=CC=C2 D93667 [1,0,0,1,0,0|0,0,2]=4 245 B13R2.32 CN1C(=O)COC2=C1C=CC=C2 D84259 [0,0,0,1,1,0|2,0,0]=4 246 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 83204 [0,0,0,1,1,0|1,0,0]=3 247 B13R2.33 O=C1CNC2=C(C=CC=C2)CN1 66618 [0,0,0,1,1,0|2,0,0]=4 248 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 29367 [0,0,0,1,0,1|0,0,2]=4 249 B15R2.4 COC(=O)CN1N=NC2=C1C=CC=C2 AB7455 [0,0,0,1,0,1|2,0,0]=4 250 B15R2.29 BrC1=CCN(CC2=CC=CC=C2)CC1 S11214 [0,0,0,1,0,1|2,0,0]=4 251 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 20758 [0,0,0,1,0,1|1,0,0]=3 252 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 67674 [0,0,0,1,0,1|1,0,0]=3 253 B15R2.29 O=C1CCN(CC2=CN=CC=C2)CC1 P16943 [0,0,0,1,0,1|2,0,0]=4 254 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 D95901 [0,0,0,1,0,1|2,0,0]=4 255 B15R2.3 CC1=CC=C(C2CCC(=O)CC2)C=C1 S10247 [0,1,0,1,0,0|1,0,0]=3 256 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 C72741 [0,1,0,1,0,0|1,0,0]=3 257 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 23603 [0,1,0,1,0,0|1,0,0]=3 258 B15R2.3 O=C1CCN(C2=CC=C(Cl)C=C2)CC1 D84485 [0,1,0,1,0,0|2,0,0]=4 259 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 56001 [0,1,0,1,0,0|1,0,0]=3 260 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 20531 [0,1,0,1,0,0|2,0,0]=4 261 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 36517 [0,1,0,1,0,0|2,0,0]=4 262 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC3111 [0,1,0,1,0,0|2,0,0]=4 263 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 71606 [0,1,0,1,0,0|2,0,0]=4 264 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 73362 [0,1,0,1,0,0|1,0,0]=3 265 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 F10647 [0,1,0,1,0,0|1,0,1]=4 266 B15R2.1342 CCOC(=O)C1OC1C2=CC=CC=C2 D90572 [0,1,0,1,0,0|1,0,0]=3 267 B15R2.1342 CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 P15489 [0,1,0,1,0,0|0,0,0]=2 268 B15R2.1569 COC(=O)CC1=NC2=C(C=CC=C2)O1 69164 [0,1,0,1,0,0|1,0,1]=4 269 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 20352 [0,1,0,1,0,0|1,0,0]=3 270 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 20353 [0,1,0,1,0,0|1,0,0]=3 271 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 69632 [0,1,0,1,0,0|1,0,0]=3 272 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69676 [0,1,0,1,0,0|0,0,0]=2 273 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)O1 50345 [0,1,0,1,0,0|0,0,0]=2 274 B15R2.1601 COC(=O)[C@@H]1COC2=C(C=CC=C2)O1 AC2382 [0,1,0,1,0,0|1,0,0]=3 275 B15R2.308 O=C1CCN(C2=C(Cl)C=CC=C2)CC1 AB10191 [0,1,0,1,0,0|2,0,0]=4 276 B15R2.308 O=C1CC[C@H](C2=C(F)C=CC=C2)CN1 AC1987 [0,1,0,1,0,0|1,0,0]=3 277 B15R2.28 O=C1CCN(C2=CC=CC(Cl)=C2)CC1 AB10192 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [1,0,0,0,1,0|2,0,0]=4 279 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [1,0,0,0,1,0|0,0,0]=2 280 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [1,0,0,0,1,0|1,0,0]=3 281 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [1,0,0,0,1,0|1,0,0]=3 282 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [1,0,0,0,1,0|2,0,0]=4 283 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [1,0,0,0,1,0|2,0,0]=4 284 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [1,0,0,0,1,0|0,0,2]=4 285 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [1,0,0,0,1,0|0,0,2]=4 286 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [1,0,0,0,1,0|2,0,0]=4 287 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [1,0,0,0,1,0|0,0,2]=4 288 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [1,0,0,0,1,0|2,0,0]=4 289 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [1,0,0,0,1,0|1,0,0]=3 290 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [1,0,0,0,1,0|2,0,0]=4 291 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [1,0,0,0,1,0|2,0,0]=4 292 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [1,0,0,0,1,0|2,0,0]=4 293 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [1,0,0,0,1,0|1,0,0]=3 294 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [1,0,0,0,1,0|0,0,2]=4 295 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [1,0,0,0,1,0|0,0,0]=2 296 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [1,0,0,0,1,0|1,0,0]=3 297 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [1,0,0,0,1,0|1,0,0]=3 298 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [1,0,0,0,1,0|1,0,0]=3 299 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [1,0,0,0,1,0|1,0,0]=3 300 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [1,0,0,0,1,0|1,0,0]=3 301 B11R1.91 O=C(O)COC1=CN=CC=C1 D82223 [1,0,0,0,1,0|2,0,0]=4 302 B11R1.91 O=C(O)COC1=NC=CC=C1 P18645 [1,0,0,0,1,0|2,0,0]=4 303 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [1,0,0,0,1,0|1,0,0]=3 304 B11R1.91 O=C(O)CSC1=CC=NC=C1 F15983 [1,0,0,0,1,0|2,0,0]=4 305 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [1,0,0,0,1,0|0,0,2]=4 306 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [1,0,0,0,1,0|1,0,1]=4 307 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [1,0,0,0,1,0|1,0,1]=4 308 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [1,0,0,0,1,0|1,0,1]=4 309 B11R1.91 OB(O)CCC1=CC=CC=C1 28933 [1,0,0,0,1,0|1,0,1]=4 310 B11R1.172 O=C(O)CCCC1=CC=CS1 28818 [1,0,0,0,1,0|1,0,0]=3 311 B11R1.40 CCC(=O)CC1=CC=CC=C1 75226 [0,0,0,0,2,0|1,0,0]=3 312 B11R1.40 CCC(=O)OC1=CC=CC=C1 C13913 [0,0,0,0,2,0|2,0,0]=4 313 B11R1.40 COC(=O)CC1=CC=CC=C1 D77850 [0,0,0,0,2,0|0,0,0]=2 314 B11R1.40 COC(=O)CC1=CC=NC=C1 28936 [0,0,0,0,2,0|1,0,0]=3 315 B11R1.40 COC(=O)CC1=CN=CC=C1 AB11862 [0,0,0,0,2,0|1,0,0]=3 316 B11R1.40 COC(=O)CC1=NC=CC=C1 63412 [0,0,0,0,2,0|1,0,0]=3 317 B11R1.40 COC(=O)CC1=NC=CC=N1 30382 [0,0,0,0,2,0|2,0,0]=4 318 B11R1.40 COC(=O)CC1=NC=CN=C1 50758 [0,0,0,0,2,0|2,0,0]=4 319 B11R1.40 COC(=O)NC1=CC=CC=C1 D70137 [0,0,0,0,2,0|1,0,0]=3 320 B11R1.40 COC(=O)OC1=CC=CC=C1 D71100 [0,0,0,0,2,0|1,0,0]=3 321 B11R1.40 NNC(=O)CC1=CC=CC=C1 AC1644 [0,0,0,0,2,0|2,0,0]=4