0 B14R1.42 COC1=C(F)C=CC(\C=C\C(=O)O)=C1 AM62246 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 AMY3788 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 AM20060784 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 AMY3775 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 AM90064 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 AMY3797 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 AMY3007 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 AMY609 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 AMY3943 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 AMY25249 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 AMY3677 [1,0,0,0,0,0|0,0,2]=3 11 B13R1.643 COC1=CC=CC(SCC(=O)O)=C1 AM100771 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 AMY3859 [1,0,0,0,0,0|2,0,0]=3 13 B15R1.873 O=C(O)\C=C\C1=CC([N+](=O)[O-])=C(Cl)C=C1 AM20030319 [0,1,0,0,0,0|3,0,0]=4 14 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 AM20041134 [0,1,0,0,0,0|0,0,2]=3 15 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 AMY4280 [0,1,0,0,0,0|0,0,2]=3 16 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 AM20060962 [0,1,0,0,0,0|0,0,2]=3 17 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 AMY32184 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.12854 COC1=C(OC)C=C(\C=C\[N+](=O)[O-])C=C1 AMY13646 [0,1,0,0,0,0|1,0,1]=3 19 B15R2.7688 O=C(O)C#CC1=CC2=C(C=C1)OCO2 AMY19497 [0,0,0,1,0,0|0,0,2]=3 20 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 AM20030353 [0,0,0,1,0,0|1,0,2]=4 21 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 AM20040080 [0,0,0,1,0,0|0,0,2]=3 22 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=CN2)C=C1 AMY7194 [0,0,0,1,0,0|2,0,1]=4 23 B15R2.7688 O=[N+]([O-])\C=C\C1=CC2=C(C=C1)OCO2 AMY22069 [0,0,0,1,0,0|1,0,1]=3 24 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 AMY14546 [0,0,0,0,1,0|1,0,1]=3 25 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 AMY18047 [0,0,0,0,1,0|0,0,1]=2 26 B13R1.52 COC1=C(O)C=CC(CC(C)=O)=C1 AMY14494 [0,0,0,0,1,0|1,0,1]=3 27 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AMY3883 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 AMY269 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AM20050166 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AMY8920 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AMY3852 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AMY3987 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AM20050138 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 AMY16264 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 AMY3959 [2,0,0,0,0,0|0,0,2]=4 36 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AM100770 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 AM20040880 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 AMY14568 [2,0,0,0,0,0|0,0,0]=2 39 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AM20040181 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AMY3882 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AM20060150 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.382 COC1=CC=CC(CCC=O)=C1 AMY20212 [2,0,0,0,0,0|0,0,2]=4 43 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O AM82124 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O AMY22155 [1,1,0,0,0,0|0,0,2]=4 45 B14R1.3653 COC1=C(Br)C=C(\C=C\C(=O)O)C=C1 AM805457 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 AM20040660 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.15552 O=C(O)\C=C\C1=CC(F)=C(F)C(F)=C1 AMY755 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 AM83392 [1,1,0,0,0,0|0,0,2]=4 49 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 AM83393 [1,1,0,0,0,0|0,0,2]=4 50 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 AM83394 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.75 COC1=CC=CC(O[C@@H](C)C(=O)O)=C1 AMY20102 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.376 COC1=CC(C)=CC(OCC(=O)O)=C1 AM20080592 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.2335 COC1=CC(CCC(=O)O)=C(Br)C=C1 AM806860 [1,1,0,0,0,0|0,0,2]=4 54 B14R1.6355 O=C(O)\C=C\C1=CC(B(O)O)=CC=C1 AM88111 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.6355 O=C(O)\C=C\C1=CC=CC([N+](=O)[O-])=C1 AMY4024 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 AM20060235 [0,1,0,0,1,0|0,0,1]=3 57 B16R1.4275 COC1=C(OC)C=C(CCCC(=O)O)C=C1 AM20020434 [0,1,0,0,0,1|0,0,2]=4 58 B16R1.27683 COC1=C(O)C=CC(C[C@](C)(N)C(=O)O)=C1 AM9544 [0,2,0,0,0,0|0,0,2]=4 59 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 AMY25634 [1,0,0,1,0,0|0,0,0]=2 60 B14R2.1128 COC1=CC2=CC=CN=C2C=C1C AM806229 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 AMY10250 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.2332 COC1=CC2=CC=C(O)N=C2C=C1 AM20050799 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 AM20060647 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.2332 COC1=CC=C2N=C(Br)C=CC2=C1 AM20061241 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 AM20050800 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.11684 COC1=CC=CC2=CC=C(O)C=C21 AMY15333 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 AM20041006 [0,0,0,1,1,0|1,0,1]=4 68 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 AMY4277 [0,0,0,1,1,0|1,0,1]=4 69 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 AMY17835 [0,0,0,1,1,0|1,0,1]=4 70 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 AM84883 [0,0,0,1,1,0|0,0,1]=3 71 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C AM803237 [0,1,0,1,0,0|1,0,0]=3 72 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)C=N2 AM1086 [0,1,0,1,0,0|2,0,0]=4 73 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 AM20020282 [0,1,0,1,0,0|0,0,0]=2 74 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 AM62268 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 AM84028 [1,0,0,0,1,0|0,0,1]=3 76 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 AMY28184 [1,0,0,0,1,0|1,0,1]=4 77 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 AM82964 [1,0,0,0,1,0|1,0,1]=4 78 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 AM20020093 [1,0,0,0,1,0|0,0,1]=3 79 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 AM20050568 [1,0,0,0,1,0|0,0,1]=3 80 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 AMY3930 [1,0,0,0,1,0|1,0,1]=4 81 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 AM804096 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 AMY10463 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 AMY28284 [0,0,0,0,2,0|2,0,0]=4 84 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 AM84179 [0,0,0,0,2,0|1,0,0]=3 85 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 AMY17230 [0,0,0,0,2,0|2,0,0]=4 86 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 AMY28181 [0,0,0,0,2,0|2,0,0]=4 87 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 AM20061093 [0,0,0,0,2,0|1,0,0]=3 88 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 AM20041251 [0,0,0,0,2,0|1,0,0]=3 89 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 AM20041220 [0,0,0,0,2,0|1,0,0]=3 90 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 AM20080776 [0,0,0,0,2,0|2,0,0]=4 91 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 AM20060572 [0,0,0,0,2,0|1,0,0]=3 92 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 AM20050239 [0,0,0,0,2,0|0,0,0]=2 93 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 AM20090774 [0,0,0,0,2,0|1,0,0]=3 94 B12R1.56 COC1=C(O)C=CC([C@H](C)O)=C1 AMY202100058 [0,0,0,0,2,0|1,0,1]=4 95 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 AM808244 [0,0,0,0,2,0|1,0,1]=4 96 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 AMY4089 [0,0,0,0,2,0|2,0,0]=4 97 B14R1.76 COC1=CC=CC(OCCC(=O)O)=C1 AMY4726 [1,0,0,0,0,1|0,0,2]=4