0 B13R2.369 CN1Cc2ccccc2NC1=O T50006 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 Cc1cc2ccccc2[nH]c1=O T50035 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.369 Nc1cc2ccccc2cc1N T18881 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 Nc1cc2ccccc2oc1=O TN1243 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O T20436 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.369 Oc1cc2ccccc2oc1=O T8002 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.24 Clc1ccc2ccccc2c1 T20317 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,0,0,0|1,0,2]=4 8 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,0,0,0|1,0,2]=4 9 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.8188 N[C@H]1Cc2ccccc2N(O)C1=O T24617 [0,1,0,0,0,0|1,0,2]=4 12 B14R2.8239 CN1Cc2cc(Br)ccc2NC1=O T8609 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.8239 OC1Oc2cc(O)ccc2NC1=O TN2744 [0,1,0,0,0,0|1,0,1]=3 14 B14R2.8239 Oc1cc2ccc(=O)oc2cc1O T2798 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.43 C/C(=C\c1ccccc1)[N+]([O-])=O T29310 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,0,1,0,0,0|1,0,0]=2 18 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,0,1,0,0,0|1,0,2]=4 20 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,0,1,0,0,0|1,0,2]=4 21 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,0,1,0,0,0|1,0,2]=4 22 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,0,1,0|1,0,1]=3 23 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,0,1,0|0,0,1]=2 24 B12R2.100 Oc1cc2cc[nH]c2cc1O T10164 [0,0,0,0,1,0|2,0,1]=4 25 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,0,0,0,0,1|2,0,1]=4 26 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [1,0,1,0,0,0|0,0,0]=2 29 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,1,0,0,0|0,0,0]=2 34 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,1,0,0,0|0,0,0]=2 35 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.17 Oc1ccccc1C=CC=O TN6938 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,0,1,0,0,0|1,0,1]=4 40 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,1,0,0,0|2,0,0]=4 41 B13R1.418 O/N=C(/Cc1ccccc1)C(O)=O T24140 [0,1,1,0,0,0|1,0,1]=4 42 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.57 COc1ccc2ccccc2c1 T0573 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [1,1,0,0,0,0|1,0,0]=3 46 B13R2.155 Oc1ccc2ccc(=O)[nH]c2c1 T22226 [1,1,0,0,0,0|0,0,0]=2 47 B13R2.155 Oc1ccc2ccc(=O)oc2c1 T1693 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.162 Oc1cccc2ccc(=O)[nH]c12 T2291 [1,1,0,0,0,0|0,0,0]=2 49 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [1,1,0,0,0,0|1,0,1]=4 53 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 T9432 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.5179 Oc1ccc2c(c1)occc2=O T7345 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [1,1,0,0,0,0|0,0,1]=3 58 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [0,1,0,0,1,0|1,0,1]=4 59 B13R2.135 CCn1c2ccccc2[nH]c1=O T2604 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.135 O/N=C1\C(=O)Nc2ccccc12 T21219 [0,1,0,0,1,0|0,0,0]=2 61 B13R2.3085 O=C1N(C)C(C2=C1C=CC=C2)=O T20314 [0,1,0,0,1,0|2,0,0]=4 62 B15R2.984 CC(=O)c1cc2ccccc2oc1=O Fr12596 [0,2,0,0,0,0|1,0,1]=4 63 B15R2.984 OC(=O)c1cc2ccccc2oc1=O TJS0339 [0,2,0,0,0,0|1,0,0]=3 64 B15R2.984 [O-][N+](=O)c1cc2ccccc2oc1=O T10115 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,0,1,0,1,0|0,0,2]=4 66 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,0,1,0,1,0|0,0,2]=4 67 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,0,1,0,1,0|2,0,0]=4 68 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,0,1,0,1,0|1,0,0]=3 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 OC(C([O-])=O)c1ccccc1 T30005 [0,0,1,0,1,0|1,0,1]=4 72 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,0,1,0,1,0|1,0,1]=4 73 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,0,1,0|1,0,0]=3 74 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,0,1,0|0,0,2]=4 75 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,0,1,0|0,0,1]=3 76 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,0,1,0|1,0,0]=3 77 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,0,1,0|1,0,0]=3 78 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [1,0,0,0,1,0|1,1,0]=4 79 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,0,0,0,1,0|2,0,0]=4