0 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,0,0,0,0,0|1,0,0]=1 1 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 C[C@@H]1C(=O)Nc2c(cccn2)N1 1JX [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,0,0,0,0,0|0,0,0]=0 5 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [1,0,0,0,0,0|0,0,0]=1 8 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [1,0,0,0,0,0|1,0,1]=3 10 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [1,0,0,0,0,0|1,0,1]=3 11 B12R2.24 c1ccc2cc(ccc2c1)O 03V [1,0,0,0,0,0|1,0,0]=2 12 B14R2.8188 CC1=C(C(=O)c2ccccc2N1)O HQD [0,1,0,0,0,0|1,0,0]=2 13 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)O 0N7 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.8239 CN1Cc2cc(ccc2NC1=O)Br 15E [0,1,0,0,0,0|2,0,1]=4 15 B14R2.8239 Cc1ccc2c(c1)NC(=O)[C@H](O2)C 64R [0,1,0,0,0,0|2,0,1]=4 16 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,0,1,0,0,0|2,0,0]=3 17 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,0,1,0,0,0|2,0,0]=3 18 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,0,1,0,0,0|2,0,0]=3 19 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,0,1,0,0,0|2,0,0]=3 20 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [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|1,0,2]=4 22 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,0,1,0,0,0|1,0,2]=4 23 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,0,1,0,0,0|1,0,2]=4 24 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,0,1,0,0,0|1,0,2]=4 25 B12R1.43 c1ccc(cc1)NC(=O)C(Cl)Cl NSA [0,0,1,0,0,0|2,0,1]=4 26 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,0,1,0,0,0|2,0,0]=3 27 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,0,0,0,1,0|3,0,0]=4 28 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,0,0,0,1,0|2,0,1]=4 29 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,0,0,0,1,0|0,0,1]=2 30 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O 3ID [0,0,0,0,1,0|2,0,1]=4 31 B14R2.738 C[C@@H]1CC(=O)Nc2ccccc2N1 98 [0,0,0,0,0,1|2,0,1]=4 32 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [1,0,1,0,0,0|2,0,0]=4 33 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,1,0,0,0|1,0,0]=3 34 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,1,0,0,0|0,0,0]=2 36 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [1,0,1,0,0,0|2,0,0]=4 38 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [1,0,1,0,0,0|1,0,1]=4 39 B11R2.20 c1ccc2c(c1)cncn2 QUZ [2,0,0,0,0,0|1,0,1]=4 40 B11R2.20 c1ccc2ccccc2c1 NPY [2,0,0,0,0,0|1,0,0]=3 41 B11R2.20 c1ccc2cnccc2c1 ISQ [2,0,0,0,0,0|2,0,0]=4 42 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,1,1,0,0,0|2,0,0]=4 43 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,1,1,0,0,0|2,0,0]=4 44 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\S)Cl 2UB [0,1,1,0,0,0|1,1,0]=4 46 B13R1.152 C[C@H](c1ccccc1)C(=O)C(=O)O 56D [0,1,1,0,0,0|2,0,0]=4 47 B13R1.418 c1ccc(cc1)C\C(=N/O)\C(=O)O 3CR [0,1,1,0,0,0|1,0,1]=4 48 B13R1.470 c1ccc(c(c1)NC(=O)C=NO)Br 4Z3 [0,1,1,0,0,0|1,0,0]=3 49 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [1,1,0,0,0,0|0,0,0]=2 50 B13R2.32 CN1c2ccccc2NCC1=O 5QX [1,1,0,0,0,0|1,0,1]=4 51 B13R2.32 Cc1cnc2ccccc2c1N 7W1 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.32 c1ccc2c(c1)C=CN(C2=S)O HQT [1,1,0,0,0,0|2,0,0]=4 53 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N 2NW [1,1,0,0,0,0|1,0,1]=4 54 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [1,1,0,0,0,0|1,0,0]=3 55 B13R2.57 C=Nc1ccc2ccccc2c1 N2I [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [1,1,0,0,0,0|1,0,0]=3 57 B13R2.155 c1cc2c(cc1Br)NC(=O)CN2 5GU [1,1,0,0,0,0|1,0,1]=4 58 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 KJU [1,1,0,0,0,0|1,0,1]=4 59 B13R2.155 c1cc2c(cc1O)OC(=O)C=C2 07L [1,1,0,0,0,0|1,0,0]=3 60 B13R2.162 c1cc2c(c(c1)O)OC(=O)C=C2 8CM [1,1,0,0,0,0|1,0,0]=3 61 B13R2.162 c1cc2ccc(nc2c(c1)O)N 0P6 [1,1,0,0,0,0|1,0,1]=4 62 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [1,1,0,0,0,0|1,0,1]=4 64 B13R2.328 Cc1cc(nc2c1cccc2)N M5K [1,1,0,0,0,0|1,0,1]=4 65 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [1,1,0,0,0,0|0,0,2]=4 66 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [1,1,0,0,0,0|1,0,0]=3 67 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 3AV [1,1,0,0,0,0|1,0,0]=3 68 B13R2.3683 Cc1ccc2c(c1)SCC(=O)N2 TGX [1,1,0,0,0,0|1,0,1]=4 69 B13R2.3683 Cc1ccc2cc(ccc2n1)N MQN [1,1,0,0,0,0|1,0,1]=4 70 B13R2.3683 c1cc2c(cc1Br)NCC(=O)N2 4YO [1,1,0,0,0,0|1,0,1]=4 71 B13R2.3683 c1cc2c(cc1Cl)C=CC(=O)N2 0TU [1,1,0,0,0,0|0,0,0]=2 72 B13R2.3683 c1cc2c(cc1N)C=CC(=O)O2 4JQ [1,1,0,0,0,0|1,0,0]=3 73 B13R2.3683 c1cc2c(cc1O)C=CC(=S)O2 FC5 [1,1,0,0,0,0|1,1,0]=4 74 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [1,1,0,0,0,0|1,0,0]=3 75 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [1,1,0,0,0,0|0,0,1]=3 76 B13R2.135 CCN1c2ccccc2NC1=O 0W8 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ [0,1,0,0,1,0|0,0,1]=3 78 B13R2.3028 c1cc2c(cc1F)[C@H](C(=O)N2)O 0TI [0,1,0,0,1,0|0,0,1]=3 79 B13R2.4856 Cc1cccc2c1[C@H](C(=O)N2)N BY4 [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|0,0,1]=3 81 B15R2.1754 c1cc2c(cc1O)OC(=O)C(=C2)C#N 3QV [0,2,0,0,0,0|2,0,0]=4 82 B15R2.9032 CN1c2ccccc2C(=C(C1=O)O)O LI6 [0,2,0,0,0,0|0,0,0]=2 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|2,0,0]=4 85 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,0,1,1,0,0|1,0,0]=3 86 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,0,1,1,0,0|1,1,0]=4 87 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,0,1,0,1,0|1,0,0]=3 88 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,0,1,0,1,0|1,0,1]=4 89 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,0,1,0,1,0|1,0,1]=4 90 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,0,1,0,1,0|2,0,0]=4 91 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,0,1,0|0,0,2]=4 92 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [1,0,0,0,1,0|2,0,0]=4 93 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [1,0,0,0,1,0|2,0,0]=4 94 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,0,0,0,1,0|1,0,0]=3 95 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [1,0,0,0,1,0|2,0,0]=4 96 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [1,0,0,0,1,0|2,0,0]=4 97 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [1,0,0,0,1,0|2,0,0]=4