0 B12R2.18 O=C1CC2=CC=CC=C2C1=O HY-W013580 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O HY-Y0265 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.1 BrC1=CNC2=C1C=CC=N2 HY-30017 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.1 CC1=CNC2=CC=CC=C12 HY-W007355R [1,0,0,0,0,0|2,0,0]=3 5 B11R2.1 CN1C=CC2=C1C=CC=C2 HY-Y1162 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.1 ClC1=CNC2=C1C=CC=C2 HY-65119 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 NN1N=NC2=CC=CC=C21 HY-103389 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 ON1N=NC2=CC=CN=C21 HY-Z0275 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.10 BrC1=NC2=CC=CC=C2N1 HY-20737 [1,0,0,0,0,0|1,0,1]=3 10 B11R2.10 CC1=CC2=CC=CC=C2N1 HY-W007556 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.10 CC1=NC2=CC=CC=C2O1 HY-W038287 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 ClC1=NC2=CC=CC=C2N1 HY-W015575 [1,0,0,0,0,0|1,0,1]=3 13 B11R2.10 NC1=NC2=CC=CC=C2N1 HY-Y0410 [1,0,0,0,0,0|1,0,1]=3 14 B11R2.10 NC1=NC2=CC=CC=C2S1 HY-W017424 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.10 O=C1CC2=C(C=CC=C2)N1 HY-Y0061 [1,0,0,0,0,0|1,0,0]=2 16 B11R2.10 O=C1NC2=CC=CC=C2O1 HY-W015818 [1,0,0,0,0,0|1,0,0]=2 17 B11R2.10 S=C1NC2=CC=CC=C2S1 HY-W017113 [1,0,0,0,0,0|1,1,0]=3 18 B13R2.45 CN1C2=C(C=CC=C2)S\C1=N/N HY-D0907 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 HY-101360 [0,1,0,0,0,0|1,0,0]=2 20 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O HY-W007549 [0,1,0,0,0,0|1,0,1]=3 21 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 HY-23148 [0,1,0,0,0,0|1,0,1]=3 22 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 HY-W007719 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HY-W018758 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HY-W015608 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HY-W010248 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 HY-W017406 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HY-W010255 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HY-W010255R [0,0,1,0,0,0|2,0,1]=4 29 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HY-W015591 [0,0,1,0,0,0|2,0,0]=3 30 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 HY-129629 [0,0,1,0,0,0|2,1,0]=4 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 HY-Y0816 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 HY-Y0585 [0,0,1,0,0,0|2,0,0]=3 33 B11R1.36 [C@H](N)(C(=O)O)C1=CC=CC=C1 HY-W010249 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.40 C=CC(=O)NC1=CC=CC=C1 HY-W018582 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 HY-W077680 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [0,0,1,0,0,0|3,0,0]=4 37 B13R2.32 OC1=CC=C2C=CC=CC2=C1O HY-128105 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 HY-N6856R [0,0,0,0,0,1|2,0,0]=3 39 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 HY-N7089 [0,0,0,0,0,1|1,0,1]=3 40 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 HY-B1047 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 HY-76222 [0,0,0,0,0,1|1,0,1]=3 42 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 HY-D0165 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O HY-118436 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O HY-W030266 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.369 O=C1OC2=CC=CC=C2C=C1O HY-127170 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.369 OC1=CC2=CC=CC=C2C=C1O HY-W012558 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [1,0,1,0,0,0|1,0,1]=4 48 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,0,1,0,0,0|2,0,0]=4 51 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [1,0,1,0,0,0|1,1,0]=4 52 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,0,1,0,0,0|1,0,0]=3 53 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [1,0,1,0,0,0|0,0,0]=2 54 B10R1.18 NC(=S)NC1=CC=CC=C1 HY-Y0351 [1,0,1,0,0,0|0,1,0]=3 55 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.20 COC1=CC=CC=C1C=O HY-77995 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.20 O=CC1=CC=CC=C1C=O HY-W012669 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501R [1,0,1,0,0,0|2,0,0]=4 63 B10R1.61 CC1=CC=CC=C1C(=O)O HY-41494 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.61 NC1=C(C(=O)O)C=CN=C1 HY-65257 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.61 NC1=CC=NC=C1C(=O)O HY-W002555 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.61 O=C(O)C1=C(S)C=CC=C1 HY-Y0102 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.61 O=C(O)C1=CC=CC=C1F HY-Y1115 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 O=C(O)C1=CC=CC=C1I HY-77433 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 O=C(O)C1=CC=CC=C1O HY-B0167R [1,0,1,0,0,0|2,0,0]=4 71 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132 [2,0,0,0,0,0|1,0,0]=3 72 B10R2.7 C1=CC2=C(C=C1)NC=C2 HY-W001132R [2,0,0,0,0,0|1,0,0]=3 73 B10R2.7 C1=CC2=CN=CC=C2N1 HY-W002711 [2,0,0,0,0,0|2,0,0]=4 74 B10R2.7 C1=CC=C2NC=NC2=C1 HY-Y1825 [2,0,0,0,0,0|0,0,1]=3 75 B10R2.7 C1=CC=C2NN=CC2=C1 HY-40294 [2,0,0,0,0,0|2,0,0]=4 76 B10R2.7 C1=CC=C2SC=NC2=C1 HY-W012634 [2,0,0,0,0,0|1,0,1]=4 77 B10R2.7 C1=CN=C2C=CNC2=C1 HY-20362 [2,0,0,0,0,0|2,0,0]=4 78 B10R2.7 C1=CN=C2NC=CC2=C1 HY-50542 [2,0,0,0,0,0|2,0,0]=4 79 B10R2.7 C1=NC=C2NC=NC2=C1 HY-W005266 [2,0,0,0,0,0|1,0,1]=4 80 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 HY-W015326 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 HY-W041194 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 HY-B2020 [0,1,1,0,0,0|1,0,0]=3 83 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [0,1,1,0,0,0|2,0,0]=4 85 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 HY-135326 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 HY-W028684 [0,1,1,0,0,0|2,0,0]=4 87 B12R2.1 O=CC1=CNC2=CC=CC=C12 HY-W007376 [1,1,0,0,0,0|1,0,1]=4 88 B12R2.1 OCC1=CNC2=C1C=CC=C2 HY-N0170 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.32 O=CC1=CC2=CC=CC=C2N1 HY-W015650 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 HY-59227 [1,1,0,0,0,0|1,0,0]=3 91 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 HY-W002616 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 HY-W001542 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 HY-W002914 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 HY-W017445 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 HY-B1462 [1,1,0,0,0,0|1,0,0]=3 96 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 HY-B1462R [1,1,0,0,0,0|1,0,0]=3 97 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 HY-W016215 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.606 O=C1OC2=CC(O)=CC=C2S1 HY-B0483 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.606 S=C1NC2=CC=C(Cl)C=C2N1 HY-W037976 [1,1,0,0,0,0|0,1,0]=3 100 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 HY-18407 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(O)C1=O HY-116451 [0,1,0,0,0,1|1,0,0]=3 102 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 HY-138545 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 HY-W041315 [0,2,0,0,0,0|1,0,1]=4 104 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HY-W017519 [0,0,1,1,0,0|2,0,0]=4 105 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,0,1,1,0,0|2,0,0]=4