0 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,0,1,0,0,0|0,0,2]=3 1 B12R1.43 C/C(=C\c1ccccc1)[N+]([O-])=O T29310 [0,0,1,0,0,0|2,0,1]=4 2 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,0,1,0,0,0|0,0,2]=3 3 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,0,1,0,0,0|1,0,1]=3 4 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,0,1,0,0,0|1,0,0]=2 5 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,0,1,0,0,0|1,0,2]=4 6 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,0,1,0,0,0|1,0,2]=4 7 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,0,1,0,0,0|1,0,2]=4 8 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,0,1,0,0,0|0,0,2]=3 9 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,0,1,0,0,0|1,0,2]=4 10 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,0,1,0,0,0|0,0,2]=3 11 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,0,1,0,0,0|1,0,0]=2 12 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,0,1,0,0,0|1,0,0]=2 13 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,0,1,0,0,0|1,0,2]=4 14 B14R2.781 CC(=O)c1ccc2ccccc2c1 T20587 [0,0,0,0,0,1|2,0,0]=3 15 B14R2.781 OC(=O)[C@H]1Cc2ccccc2CN1 T19616 [0,0,0,0,0,1|0,0,2]=3 16 B14R2.781 OC(=O)c1ccc2ccccc2n1 T4780 [0,0,0,0,0,1|0,0,1]=2 17 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,0,1,0,0,0|1,0,0]=3 18 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,1,0,0,0|0,0,0]=2 24 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,1,0,0,0|0,0,2]=4 25 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,1,0,0,0|0,0,0]=2 26 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.17 Oc1ccccc1C=CC=O TN6938 [1,0,1,0,0,0|1,0,0]=3 28 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [2,0,0,0,0,0|0,0,1]=3 29 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [2,0,0,0,0,0|1,0,0]=3 30 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [2,0,0,0,0,0|1,0,0]=3 31 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [2,0,0,0,0,0|1,1,0]=4 32 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [0,1,1,0,0,0|0,0,2]=4 33 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [0,1,1,0,0,0|0,0,2]=4 34 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [0,1,1,0,0,0|0,0,2]=4 35 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [0,1,1,0,0,0|0,0,2]=4 36 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [0,1,1,0,0,0|0,0,2]=4 37 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [0,1,1,0,0,0|0,0,2]=4 38 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,1,0,0,0|1,0,1]=4 39 B13R1.148 NC(Cc1cccc(O)c1)C(O)=O T13654 [0,1,1,0,0,0|0,0,2]=4 40 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(O)=O T21181 [0,1,1,0,0,0|0,0,2]=4 41 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(O)=O T19922 [0,1,1,0,0,0|0,0,2]=4 42 B13R1.202 NC(Cc1ccccc1O)C(O)=O T1695 [0,1,1,0,0,0|0,0,2]=4 43 B13R1.418 O/N=C(/Cc1ccccc1)C(O)=O T24140 [0,1,1,0,0,0|0,0,2]=4 44 B13R1.90 COc1ccccc1/C=C/C(O)=O T2S0973 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.90 COc1ccccc1/C=C/C(O)=O TN6874 [0,1,1,0,0,0|1,0,0]=3 46 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [1,1,0,0,0,0|2,0,0]=4 47 B15R2.1569 COC(=O)Nc1nc2ccccc2[nH]1 T3124 [0,1,0,0,0,1|1,0,0]=3 48 B15R2.1569 COC(=O)Nc1nc2ccccc2[nH]1 T3124L [0,1,0,0,0,1|1,0,0]=3 49 B15R2.627 OC(=O)c1ccc2ccccc2c1O T4789 [0,1,0,0,0,1|1,0,0]=3 50 B15R2.984 CC(=O)c1cc2ccccc2oc1=O Fr12596 [0,1,0,0,0,1|2,0,0]=4 51 B15R2.984 OC(=O)c1cc2ccccc2oc1=O TJS0339 [0,1,0,0,0,1|1,0,0]=3 52 B15R2.1601 C=CC(=O)c1ccc2ccccc2c1 T23564 [0,1,0,0,0,1|2,0,0]=4 53 B15R2.14951 OC(=O)c1cc(=O)c2ccccc2o1 T0259 [0,1,0,0,0,1|1,0,0]=3 54 B15R2.14951 [O-]C(=O)c1cc(=O)c2ccccc2[nH]1 T22892 [0,1,0,0,0,1|0,0,1]=3 55 B15R2.61353 OC(=O)c1ccc2cccc(O)c2n1 T20770 [0,1,0,0,0,1|0,0,1]=3 56 B15R2.1592 ONC(=O)c1sc2ccccc2c1Cl T27648 [0,2,0,0,0,0|1,0,0]=3 57 B15R2.14758 OC(=O)c1sc2cc(Cl)ccc2c1Cl T14834 [0,2,0,0,0,0|1,0,0]=3 58 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,0,1,1,0,0|2,0,0]=4 59 B13R2.369 Nc1cc2ccccc2cc1N T18881 [0,0,1,1,0,0|2,0,0]=4 60 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,0,1,1,0,0|0,0,0]=2 61 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,0,1,1,0,0|2,0,0]=4 62 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,0,1,1,0,0|1,0,0]=3 63 B13R2.72 OC(=O)c1c[nH]c2ccccc12 T5984 [0,0,1,1,0,0|2,0,0]=4 64 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,0,1,0,1,0|2,0,0]=4 65 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,0,1,0,1,0|0,0,1]=3 66 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,0,1,0,1,0|0,0,0]=2 67 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,0,1,0,1,0|1,0,0]=3 68 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,0,1,0,1,0|1,0,1]=4 69 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,0,1,0,1,0|1,0,1]=4 70 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,0,1,0,1,0|1,0,1]=4 71 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,0,1,0,1,0|1,0,1]=4 72 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,0,1,0,1,0|1,0,1]=4 73 B15R2.1660 OC(=O)CCc1nc2ccccc2[nH]1 T0288 [0,0,0,0,0,2|1,0,0]=3