0 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 F16131 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.3 COC1=CC=C(OC[C@H](C)N)C=C1 C78551 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 A12447 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.21 C[C@H](N)CCC1=CC=C(Br)C=C1 84991 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.21 C[C@H](N)CCC1=CC=C(O)C=C1 N14377 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [1,0,0,0,0,0|0,0,1]=2 15 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.71 CCC1=CC=C(CCCO)C=C1 C77990 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.71 CSC1=CC=C(CCCN)C=C1 N13315 [1,0,0,0,0,0|1,1,1]=4 21 B14R1.2 CCC1=CC=C([C@@H](O)CC(C)C)C=C1 F13160 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.2 COC1=CC=C([C@@H](N)CC(C)C)C=C1 N12731 [0,1,0,0,0,0|1,0,1]=3 23 B14R1.2 COC1=CC=C([C@@H](N)CC(C)C)C=C1 N14480 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.2 COC1=CC=C([C@@H](N)CC(C)C)C=C1 N14481 [0,1,0,0,0,0|1,0,1]=3 25 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 F16854 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50347 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 E71813 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.3 COC1=CC=C(C[C@H](C)C(=O)O)C=C1 D71902 [0,1,0,0,0,0|1,0,0]=2 29 B14R1.3 COC1=CC=C(C[C@H](N)C(C)C)C=C1 N14557 [0,1,0,0,0,0|1,0,1]=3 30 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 F16395 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.103 COC1=CC(C)=C(CCC(=O)O)C=C1 F52913 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 75499 [0,1,0,0,0,0|1,0,2]=4 33 B14R1.103 COC1=CC(O)=C(C=CC(=O)O)C=C1 D87966 [0,1,0,0,0,0|1,0,2]=4 34 B14R1.142 NCCC1=CC=C(OCC(=O)O)C=C1 AC6348 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.211 COC1=CC=C(CNC(C)(C)C)C=C1 C78073 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.419 CC(=O)COC1=CC=C([N+](=O)[O-])C=C1 AT10525 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.419 CC(C)C1=CC=C(SCC(=O)O)C=C1 AT20940 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.27 COC1=CC=C(C2CC(=O)C2)C=C1 91862 [0,0,0,1,0,0|0,0,0]=1 39 B14R2.27 COC1=CC=C([C@H]2C[C@H](O)C2)C=C1 91838 [0,0,0,1,0,0|0,0,2]=3 40 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)N2 F15809 [0,0,0,1,0,0|2,0,1]=4 41 B14R2.134 COC1=CC2=C(C=C1)CC[C@H](N)C2 A12493 [0,0,0,1,0,0|1,0,1]=3 42 B14R2.134 COC1=CC2=C(C=C1)CNC(=O)C2 54449 [0,0,0,1,0,0|1,0,0]=2 43 B14R2.134 COC1=CC2=C(C=C1)COC(=O)N2 AC3130 [0,0,0,1,0,0|2,0,0]=3 44 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 AC6243 [0,0,0,1,0,0|2,0,0]=3 45 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 F53567 [0,0,0,1,0,0|1,0,2]=4 46 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,0,0,0,1,0|2,0,0]=3 47 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,0,0,0,1,0|1,0,1]=3 48 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,0,0,0,1,0|2,0,1]=4 49 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,0,0,0,1,0|3,0,0]=4 50 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 C78532 [0,0,0,0,0,1|1,0,1]=3 51 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 D84316 [0,0,0,0,0,1|1,0,0]=2 52 B14R1.4 COC1=CC=C(OCCN(C)C)C=C1 L10073 [0,0,0,0,0,1|2,0,0]=3 53 B14R1.4 N#CC1=CC=C(CCCC(=O)O)C=C1 N11842 [0,0,0,0,0,1|3,0,0]=4 54 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 31694 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.1 CNCCC1=CC=C(Br)C=C1 C78422 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.1 CNCCC1=CC=C(C)C=C1 C78074 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.1 COCCC1=CC=C(Br)C=C1 28244 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.1 COCCC1=CC=C(N)C=C1 F11764 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.1 N#CCCC1=CC=C(O)C=C1 C15091 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 AB6809 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [2,0,0,0,0,0|1,0,1]=4 69 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.14 NCC(=O)NCC1=CC=C(F)C=C1 F21194 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.132 CC1=CC=C([C@@H](N)CC(C)C)C=C1 N14476 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.132 CC1=NC=C([C@@H](N)CC(=O)O)C=C1 N11364 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50480 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 C91147 [1,1,0,0,0,0|1,0,1]=4 76 B13R1.133 CC1=CC=C(C[C@H](N)C(C)C)C=C1 N14553 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.133 CC1=CC=C(N[C@@H](F)C(=O)O)C=C1 98130 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12225 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.133 [15NH2][C@@H](CC1=CC=C(O)C=C1)C(=O)O 41413 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 F52880 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.164 O=C(O)CCC1=C(F)C=C(O)C=C1 F13493 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.164 O=C(O)COC1=C(Cl)C=C(O)C=C1 CL4127 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.511 CC(=O)CCC1=CC(Cl)=C(Cl)C=C1 W12660 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.511 CC1=C(Br)C=CC(CCC(=O)O)=C1 F52924 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.511 O=C(O)CCC1=CC(Br)=C(Cl)C=C1 F52873 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 F52922 [1,1,0,0,0,0|1,0,0]=3 92 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Br)C=C1 F52872 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 F52870 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.511 O=C(O)CCC1=CC(Cl)=C(O)C=C1 F52918 [1,1,0,0,0,0|1,0,0]=3 95 B13R1.511 O=C(O)CCC1=CC(F)=C(O)C=C1 F52917 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.511 O=C(O)CCC1=CC(O)=C(Cl)C=C1 F52919 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.5 CC[C@H](N)CC1=CC=C(OC)C=C1 N14555 [1,1,0,0,0,0|0,0,1]=3 98 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [1,1,0,0,0,0|0,0,2]=4 99 B13R1.74 CCCCC1=CC=C([C@H](C)N)C=C1 N12752 [1,1,0,0,0,0|1,0,1]=4 100 B13R1.371 CCCNCC1=CC=C(OC)C=C1 C78567 [1,1,0,0,0,0|0,0,1]=3 101 B13R1.371 CNCCCC1=CC=C(OC)C=C1 C78497 [1,1,0,0,0,0|0,0,1]=3 102 B13R1.371 COC1=CC=C(CCCCN)C=C1 F17498 [1,1,0,0,0,0|0,0,1]=3 103 B13R1.371 COC1=CC=C(COCCBr)C=C1 A50738 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.371 COC1=CC=C(COCSC)C=C1 F15287 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [1,1,0,0,0,0|0,0,1]=3 106 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 AC6367 [0,1,0,0,1,0|1,0,1]=4 107 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 C71364 [0,1,0,0,1,0|2,0,0]=4 108 B13R1.35 COC1=C(Br)C=C(NC(C)=O)C=C1 96535 [0,1,0,0,1,0|1,0,0]=3 109 B13R1.36 CCC1=CC=C([C@@H](C)C(=O)O)C=C1 43958 [0,1,0,0,1,0|2,0,0]=4 110 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15201 [0,1,0,0,1,0|2,0,0]=4 111 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N15212 [0,1,0,0,1,0|2,0,0]=4 112 B13R1.36 CCC1=CC=C([C@@H](N)C(C)=O)C=C1 N15713 [0,1,0,0,1,0|1,0,0]=3 113 B13R1.36 COC1=CC=C(C(N)C(C)O)C=C1 N15668 [0,1,0,0,1,0|0,0,2]=4 114 B13R1.36 COC1=CC=C([C@@H](N)C(C)=O)C=C1 N15667 [0,1,0,0,1,0|0,0,0]=2 115 B13R1.36 COC1=CC=C([C@@H](N)C(C)O)C=C1 N15669 [0,1,0,0,1,0|0,0,2]=4 116 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15670 [0,1,0,0,1,0|0,0,2]=4 117 B13R1.36 COC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15673 [0,1,0,0,1,0|0,0,2]=4 118 B13R1.36 COC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15671 [0,1,0,0,1,0|0,0,2]=4 119 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 F50466 [0,1,0,0,1,0|1,0,1]=4 120 B13R1.36 COC1=CN=C([C@@H](N)C(=O)O)C=C1 F19589 [0,1,0,0,1,0|2,0,0]=4 121 B13R1.36 COC1=NC=C([C@@H](N)C(=O)O)C=C1 F19588 [0,1,0,0,1,0|2,0,0]=4 122 B13R1.36 CSC1=CC=C([C@@H](N)C(C)=O)C=C1 N15685 [0,1,0,0,1,0|0,1,0]=3 123 B13R1.142 CC(=O)NC1=CC=C(CCN)C=C1 AB10067 [0,1,0,0,1,0|2,0,0]=4 124 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 70274 [0,1,0,0,1,0|0,0,0]=2 125 B15R1.5 COC1=CC=C(C(=O)CCN(C)C)C=C1 AC5566 [0,1,0,0,0,1|2,0,0]=4 126 B15R1.206 COC(=O)CCNC1=CC=C(OC)C=C1 F14220 [0,1,0,0,0,1|0,0,0]=2 127 B15R1.206 COC1=CC=C(CCNC(=O)CCl)C=C1 C77977 [0,1,0,0,0,1|0,0,0]=2 128 B15R1.211 COC(=O)C[C@H](N)C1=CN=C(OC)C=C1 F16881 [0,2,0,0,0,0|1,0,0]=3 129 B15R1.1854 COC1=CC(Cl)=C([C@@H](N)CC(=O)O)C=C1 N12559 [0,2,0,0,0,0|1,0,0]=3 130 B15R1.1854 COC1=CC(O)=C([C@@H](N)CC(=O)O)C=C1 N14809 [0,2,0,0,0,0|1,0,0]=3 131 B15R1.1854 COC1=CC(O)=C([C@@H](N)CC(=O)O)C=C1 N14810 [0,2,0,0,0,0|1,0,0]=3 132 B15R1.1854 COC1=CC(O)=C([C@@H](N)CC(=O)O)C=C1 N14811 [0,2,0,0,0,0|1,0,0]=3 133 B15R1.3776 COC1=C(Cl)C=C([C@@H](N)CC(=O)O)C=C1 N12449 [0,2,0,0,0,0|1,0,0]=3 134 B15R1.3776 COC1=C(O)C=C([C@@H](N)CC(=O)O)C=C1 62464 [0,2,0,0,0,0|1,0,0]=3 135 B15R1.3776 COC1=C(O)C=C([C@@H](N)CC(=O)O)C=C1 62465 [0,2,0,0,0,0|1,0,0]=3 136 B15R1.5504 CC(=O)N[C@@H](C)C1=CC=C(N(C)C)C=C1 S11141 [0,2,0,0,0,0|2,0,0]=4 137 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(C#N)C=C1 N12673 [0,2,0,0,0,0|2,0,0]=4 138 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(C#N)C=C1 N12865 [0,2,0,0,0,0|2,0,0]=4 139 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 I11780 [0,2,0,0,0,0|0,0,0]=2 140 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 I11884 [0,2,0,0,0,0|0,0,0]=2 141 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC8077 [0,2,0,0,0,0|1,0,0]=3 142 B15R1.208 CN[C@@H](CC1=CC=C(OC)C=C1)C(=O)O AT23633 [0,2,0,0,0,0|1,0,0]=3 143 B15R1.208 COC1=CC=C(C[C@@H](CN)N(C)C)C=C1 89725 [0,2,0,0,0,0|2,0,0]=4 144 B15R1.208 COC1=CC=C(C[C@@H](CN)N(C)C)C=C1 89726 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10884 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10984 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.1855 COC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 N14191 [0,2,0,0,0,0|1,0,0]=3 148 B15R1.3777 COC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 N14328 [0,2,0,0,0,0|1,0,0]=3 149 B15R1.793 CCOC(=O)CCC1=CC=C(C=O)C=C1 58507 [0,2,0,0,0,0|2,0,0]=4 150 B15R1.1856 COC(=O)CCC1=C(F)C=C(OC)C=C1 F14175 [0,2,0,0,0,0|0,0,0]=2 151 B15R1.499 CC(=O)OC1=CC=C(OCC(=O)O)C=C1 C15283 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [1,0,0,1,0,0|1,0,0]=3 153 B13R2.147 O=C1C[C@@H](C2=CC=C(F)C=C2)N1 D77336 [1,0,0,1,0,0|2,0,0]=4 154 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 94712 [1,0,0,1,0,0|2,0,0]=4 155 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [1,0,0,1,0,0|2,0,0]=4 156 B13R2.4930 O=C(O)[C@@H]1CC2=C1C=C(F)C=C2 AT11819 [1,0,0,1,0,0|2,0,0]=4 157 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [1,0,0,1,0,0|1,0,1]=4 158 B13R2.57 COC1=NC=C2CCNCC2=C1 F13195 [1,0,0,1,0,0|2,0,0]=4 159 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [1,0,0,1,0,0|2,0,0]=4 160 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2O N14436 [1,0,0,1,0,0|0,0,2]=4 161 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [1,0,0,1,0,0|1,0,1]=4 162 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [1,0,0,1,0,0|2,0,0]=4 163 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [1,0,0,1,0,0|1,0,1]=4 164 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,0,0,1,1,0|2,0,0]=4 165 B15R2.2 COC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92452 [0,0,0,1,0,1|0,0,0]=2 166 B15R2.2 COC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92455 [0,0,0,1,0,1|0,0,0]=2 167 B15R2.2 N#CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92459 [0,0,0,1,0,1|2,0,0]=4 168 B15R2.2 N#CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92462 [0,0,0,1,0,1|2,0,0]=4 169 B15R2.445 COC1=CC=C(COC[C@H]2CO2)C=C1 E71839 [0,0,0,1,0,1|0,0,2]=4 170 B15R2.451 COC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC8821 [0,0,0,1,0,1|1,0,0]=3 171 B15R2.2880 COC1=CC2=C(C=C1)CCNC(=O)C2 72233 [0,0,0,1,0,1|0,0,0]=2 172 B15R2.2880 COC1=CC2=C(C=C1)SCCN(C)C2 D80341 [0,0,0,1,0,1|2,0,0]=4 173 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(C)=O F53502 [0,0,0,1,0,1|0,0,2]=4 174 B15R2.4845 COC1=CC2=C(C=C1)NCCC2(C)C F19097 [0,0,0,1,0,1|1,0,1]=4 175 B15R2.7883 COC1=CC=C(C2(N)CC(C)C2)C=C1 93079 [0,1,0,1,0,0|1,0,1]=4 176 B15R2.444 COC1=CC=C(C[C@H](N)C2CC2)C=C1 N14558 [0,1,0,1,0,0|1,0,1]=4 177 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(C)=O)O2 D73246 [0,1,0,1,0,0|0,0,2]=4 178 B15R2.4834 COC1=CC2=C(C=C1)OC(C(C)=O)=C2 77501 [0,1,0,1,0,0|1,0,1]=4 179 B15R2.4834 COC1=CC2=C(C=C1)O[C@H](C(=O)O)C2 C77236 [0,1,0,1,0,0|2,0,0]=4 180 B15R2.21336 COC1=CC2=C(C=C1)C[C@H](C)C(=O)N2 92260 [0,1,0,1,0,0|1,0,0]=3 181 B15R2.31105 COC1=CC2=C(C=C1)CCN(C)CC2 C16340 [0,1,0,1,0,0|2,0,0]=4 182 B15R2.1081 O=C1CC(C2=CC=C(B(O)O)C=C2)C1 F53558 [0,1,0,1,0,0|2,0,0]=4 183 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [1,0,0,0,1,0|1,0,1]=4 184 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [1,0,0,0,1,0|2,0,0]=4 185 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [1,0,0,0,1,0|1,0,1]=4 186 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,0,0,0,2,0|2,0,0]=4 187 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,0,0,0,2,0|2,0,0]=4 188 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,0,0,0,2,0|1,0,0]=3 189 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,0,0,0,2,0|2,0,0]=4 190 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,0,0,0,2,0|1,0,0]=3 191 B13R1.513 CC(=O)CCSC1=CC=C(O)C=C1 FD10618 [1,0,0,0,0,1|0,0,0]=2 192 B13R1.513 CC(=O)NCCC1=CC=C(Br)C=C1 F16684 [1,0,0,0,0,1|1,0,0]=3 193 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 AC3833 [1,0,0,0,0,1|2,0,0]=4