0 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(C)NC1=NC=CC=N1 HY-W129456 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-41685 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-W018454 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-W112005 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 HY-Y1818 [0,1,0,0,0,0|2,0,0]=3 21 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-17447A [0,0,0,1,0,0|2,0,0]=3 22 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.6 CN(C)C1=CC=NC=C1 HY-Y1089 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,0,0,0,1,0|2,0,1]=4 29 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [0,0,0,0,1,0|2,0,1]=4 30 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [0,0,0,0,1,0|2,0,1]=4 31 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [0,0,0,0,1,0|2,0,1]=4 32 B9R1.6 OB(O)C1=CC=CN=C1 HY-75129 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,0,0,0,0,1|2,0,1]=4 36 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [2,0,0,0,0,0|0,0,2]=4 40 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.2 COC1=CN=CC=C1 HY-W008119 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 COC1=CN=CC=N1 HY-W010562 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 NCC1=CC=CC=C1 HY-76253 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.1 CNCC1=CC=C(F)C=C1 HY-W114781 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.1 NCCC1=CC=C(Br)C=C1 HY-42346 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606R [1,1,0,0,0,0|2,0,0]=4 53 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W016823 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474R [1,1,0,0,0,0|2,0,0]=4 56 B10R1.4 CCOC1=CC=CC=C1O HY-W022036 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.10 NCCC1=CC(O)=CC=C1 HY-128975 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 HY-W002038 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.15 OCC(O)C1=CC=CC=C1 HY-W015788 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [1,1,0,0,0,0|2,0,0]=4 66 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,0,1,0|1,0,1]=4 72 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 HY-W074486 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.13 CC1=CCC(C(C)C)=CC1 HY-W020183 [0,1,0,0,1,0|1,0,1]=4 75 B10R1.13 CN(C)C1=CC=C(O)C=C1 HY-34154 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.28 CC(C)(O)C1=CC=CC=C1 HY-W015810 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W010221 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W016923 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,1,0,0,1,0|1,0,1]=4 81 B10R1.27 N[C@H](CO)CC1=CNC=N1 HY-W014233 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113B [0,1,0,0,0,1|2,0,0]=4 85 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HY-W017195 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 HY-W017186 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C HY-W020576 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 HY-B1116 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091A [0,2,0,0,0,0|2,0,0]=4 91 B12R1.32 CCOC(=O)CC1=CC=CN=C1 HY-W002001 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.194 CC[N+](C)(C)CC1=CC=CC=C1 HY-B2232 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.75 COC1=C(CC(C)C)N=CC=N1 HY-W017141 [0,2,0,0,0,0|1,0,0]=3 94 B10R2.7 C1=CC=C2OCCC2=C1 HY-75247 [1,0,0,1,0,0|2,0,0]=4 95 B10R2.7 C1=CN=C2NCCC2=C1 HY-30156 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 HY-I0348 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.32 CNC1CC2=C(C=CC=C2)C1 HY-113833 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [1,0,0,0,1,0|1,0,0]=3 99 B8R1.8 NCCC1=CN=CN1 HY-B0722 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.8 NCCC1=CN=CN1 HY-B0722R [1,0,0,0,1,0|2,0,0]=4 101 B8R1.8 NCCC1=CN=CN1 HY-B1204 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.8 NCCC1=CN=CN1 HY-B1204R [1,0,0,0,1,0|2,0,0]=4 103 B8R1.8 NCCC1=CNC=N1 HY-A0129 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [0,0,0,0,2,0|1,0,0]=3