0 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CN(C)C1=CC=NC=C1 HY-Y1089 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 NC(=O)C1=NC=CC=C1 HY-101020 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 NC(=S)C1=NC=CC=C1 HY-W002356 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 OB(O)C1=CC=CN=C1 HY-75129 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,0,0,0,0,0|0,0,0]=1 20 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 NCC1=CC=CC=C1 HY-76253 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 NCC1=NC=CC=N1 HY-60347A [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 HY-W074486 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 CC1=CCC(C(C)C)=CC1 HY-W020183 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 CC1=CCC(C(C)C)C=C1 HY-121615 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 CN(C)C1=CC=C(O)C=C1 HY-34154 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.13 O=C(O)C1=NC=C(O)N=C1 HY-76210 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.15 N=C(NO)C1=NC=CN=C1 HY-W031471A [0,1,0,0,0,0|2,0,1]=4 46 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 HY-W002038 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.15 OCC(O)C1=CC=CC=C1 HY-W015788 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.28 CC(C)(O)C1=CC=CC=C1 HY-W015810 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W010221 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W016923 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.61 NC(=O)C1=NC=CN=C1O HY-W015764 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.61 NC1=NC=CN=C1C(=O)O HY-Y1702 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [0,0,0,0,1,0|2,0,1]=4 60 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [0,0,0,0,1,0|0,0,1]=2 61 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [0,0,0,0,0,1|2,0,1]=4 62 B10R1.18 CC(C)NC1=NC=CC=N1 HY-W129456 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|2,0,0]=4 65 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|0,0,0]=2 66 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.3 NC1=NC=CN=C1 HY-34068 [2,0,0,0,0,0|1,0,0]=3 69 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 HY-Y0790 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HY-N7069 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 HY-34018 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 HY-W040301 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.21 CC1=CC=C(C(C)C)C=C1O HY-N0711 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.22 CCC(C)C1=CC=C(O)C=C1 HY-23497 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 HY-N6810 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 HY-N6810R [0,2,0,0,0,0|2,0,0]=4 93 B11R1.12 COC(OC)C1=CC=CC=C1 HY-Z0041 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.53 CCC1=NC=CN=C1C(C)=O HY-W039157 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 HY-W101666 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,1,0|1,0,0]=3 97 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,1,0|2,0,0]=4 98 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,0,0,0,1,0|2,0,0]=4 99 B7R1.1 OCC1=CNN=C1 HY-33914 [1,0,0,0,1,0|2,0,0]=4 100 B7R1.1 OCC1=COC=C1 HY-W007708 [1,0,0,0,1,0|2,0,0]=4 101 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,0,0,0,0,2|2,0,0]=4