0 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,0,0,0,0,0|2,0,0]=2 1 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,0,0,0,0,0|1,0,0]=1 4 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [1,0,0,0,0,0|1,0,0]=2 7 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [1,0,0,0,0,0|0,0,0]=1 8 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 c1ccc2cc(ccc2c1)O 03V [1,0,0,0,0,0|1,0,0]=2 11 B14R2.8188 CC1=C(C(=O)c2ccccc2N1)O HQD [0,1,0,0,0,0|2,0,0]=3 12 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,0,1,0,0,0|1,0,2]=4 14 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,0,1,0,0,0|1,0,0]=2 15 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,0,1,0,0,0|1,0,0]=2 16 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,0,1,0,0,0|0,0,2]=3 17 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,0,1,0,0,0|0,0,2]=3 18 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,0,1,0,0,0|1,0,2]=4 20 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,0,1,0,0,0|1,0,2]=4 21 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,0,1,0,0,0|0,0,2]=3 22 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,0,1,0,0,0|0,0,2]=3 23 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,0,1,0,0,0|0,0,2]=3 24 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,0,1,0,0,0|1,0,2]=4 25 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,0,1,0,0,0|1,0,2]=4 27 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,0,1,0,0,0|0,0,2]=3 28 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,0,1,0,0,0|1,0,0]=2 29 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,0,0,0,1,0|2,0,0]=3 30 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,0,0,0,1,0|2,0,1]=4 31 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,0,0,0,1,0|1,0,1]=3 32 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O 3ID [0,0,0,0,1,0|2,0,1]=4 33 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,1,0,0,0|0,0,0]=2 34 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,1,0,0,0|0,0,2]=4 35 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,1,0,0,0|1,0,1]=4 36 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,1,0,0,0|1,0,1]=4 37 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,1,0,0,0|1,0,1]=4 38 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,1,0,0,0|1,0,0]=3 41 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [1,0,1,0,0,0|0,0,1]=3 42 B11R2.20 c1ccc2c(c1)cncn2 QUZ [2,0,0,0,0,0|2,0,0]=4 43 B11R2.20 c1ccc2ccccc2c1 NPY [2,0,0,0,0,0|1,0,0]=3 44 B11R2.20 c1ccc2cnccc2c1 ISQ [2,0,0,0,0,0|2,0,0]=4 45 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,1,1,0,0,0|1,0,1]=4 46 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,1,1,0,0,0|0,0,2]=4 47 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TYF [0,1,1,0,0,0|0,0,2]=4 48 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O 34H [0,1,1,0,0,0|0,0,2]=4 49 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,1,1,0,0,0|0,0,0]=2 50 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,1,1,0,0,0|0,1,0]=3 51 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O OPH [0,1,1,0,0,0|0,0,2]=4 52 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,1,1,0,0,0|0,0,2]=4 53 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O M74 [0,1,1,0,0,0|0,0,2]=4 54 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,1,1,0,0,0|0,0,1]=3 55 B13R1.470 c1ccc(c(c1)NC(=O)C=NO)Br 4Z3 [0,1,1,0,0,0|2,0,0]=4 56 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [1,1,0,0,0,0|1,0,0]=3 57 B13R2.32 Cc1cnc2ccccc2c1N 7W1 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.32 c1ccc2c(c1)C=CN(C2=S)O HQT [1,1,0,0,0,0|2,0,0]=4 59 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N 2NW [1,1,0,0,0,0|2,0,0]=4 60 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [1,1,0,0,0,0|1,0,0]=3 61 B13R2.57 C=Nc1ccc2ccccc2c1 N2I [1,1,0,0,0,0|2,0,0]=4 62 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [1,1,0,0,0,0|1,0,0]=3 63 B13R2.155 c1cc2c(cc1O)OC(=O)C=C2 07L [1,1,0,0,0,0|0,0,0]=2 64 B13R2.162 c1cc2c(c(c1)O)OC(=O)C=C2 8CM [1,1,0,0,0,0|0,0,0]=2 65 B13R2.162 c1cc2ccc(nc2c(c1)O)N 0P6 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [1,1,0,0,0,0|0,0,0]=2 67 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 Cc1cc(nc2c1cccc2)N M5K [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [1,1,0,0,0,0|0,0,0]=2 71 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 3AV [1,1,0,0,0,0|0,0,0]=2 72 B13R2.3683 Cc1ccc2cc(ccc2n1)N MQN [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 c1cc2c(cc1Cl)C=CC(=O)N2 0TU [1,1,0,0,0,0|1,0,0]=3 74 B13R2.3683 c1cc2c(cc1N)C=CC(=O)O2 4JQ [1,1,0,0,0,0|0,0,0]=2 75 B13R2.3683 c1cc2c(cc1O)C=CC(=S)O2 FC5 [1,1,0,0,0,0|0,1,0]=3 76 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [1,1,0,0,0,0|1,0,0]=3 77 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [1,1,0,0,0,0|1,0,0]=3 78 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ [0,1,0,0,1,0|1,0,1]=4 79 B13R2.3028 c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI [0,1,0,0,1,0|1,0,1]=4 80 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)O HQU [0,2,0,0,0,0|1,0,0]=3 81 B15R2.1754 c1cc2c(cc1O)OC(=O)C(=C2)C#N 3QV [0,2,0,0,0,0|1,0,0]=3 82 B15R2.9032 CN1c2ccccc2C(=C(C1=O)O)O LI6 [0,2,0,0,0,0|1,0,0]=3 83 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TRM [0,0,1,1,0,0|2,0,0]=4 84 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,0,1,1,0,0|1,0,0]=3 85 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,0,1,1,0,0|0,0,0]=2 86 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,0,1,0,1,0|1,0,1]=4 87 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,0,1,0,1,0|0,0,1]=3 88 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,0,1,0,1,0|1,0,1]=4 89 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,1,0,1,0|0,0,1]=3 90 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,0,1,0,1,0|1,0,1]=4 91 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,0,1,0,1,0|1,0,1]=4 92 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,1,0,1,0|0,0,1]=3 93 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,0,1,0,1,0|0,1,1]=4 94 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,0,1,0,1,0|2,0,0]=4 95 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,0,1,0|0,0,2]=4 96 B11R2.1 c1ccc2c(c1)c(no2)N HLR [1,0,0,0,1,0|2,0,0]=4 97 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [1,0,0,0,1,0|2,0,0]=4 98 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,0,0,0,1,0|2,0,0]=4 99 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [1,0,0,0,1,0|2,0,0]=4