0 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,0,0,0,0,0|0,0,0]=1 10 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 NCC1=CC=CC=C1 HY-76253 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 NCC1=NC=CC=N1 HY-60347A [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.1 CNCC1=CC=C(F)C=C1 HY-W114781 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.1 NCCC1=CC=C(Br)C=C1 HY-42346 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606R [0,1,0,0,0,0|3,0,0]=4 27 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W016823 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474R [0,1,0,0,0,0|3,0,0]=4 30 B10R1.4 CCOC1=CC=CC=C1O HY-W022036 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.10 NCCC1=CC(O)=CC=C1 HY-128975 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.15 N=C(NO)C1=NC=CN=C1 HY-W031471A [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 HY-W002038 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.15 OCC(O)C1=CC=CC=C1 HY-W015788 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,1,0,0,0,0|1,0,0]=2 42 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [0,1,0,0,0,0|3,0,0]=4 47 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.18 CC(C)NC1=NC=CC=N1 HY-W129456 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [0,1,0,0,0,0|2,0,1]=4 53 B10R2.7 C1=CC=C2OCCC2=C1 HY-75247 [0,0,0,1,0,0|3,0,0]=4 54 B10R2.7 C1=CN=C2NCCC2=C1 HY-30156 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [0,0,0,0,1,0|1,0,0]=2 56 B8R1.8 NCCC1=CN=CN1 HY-B0722 [0,0,0,0,1,0|1,0,1]=3 57 B8R1.8 NCCC1=CN=CN1 HY-B0722R [0,0,0,0,1,0|1,0,1]=3 58 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,0,0,0,1,0|1,0,1]=3 59 B8R1.8 NCCC1=CN=CN1 HY-B1204R [0,0,0,0,1,0|1,0,1]=3 60 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,0,0,0,1,0|1,0,1]=3 61 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,1,0,0,0|1,0,1]=4 63 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|0,0,0]=2 64 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [2,0,0,0,0,0|1,0,0]=3 65 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.3 NC1=NC=CN=C1 HY-34068 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|2,0,0]=4 68 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [0,1,1,0,0,0|2,0,0]=4 69 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [1,1,0,0,0,0|0,0,1]=3 79 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [1,1,0,0,0,0|1,0,1]=4 84 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.7 CN1C=NC(CCN)=C1 HY-W053787 [0,1,0,0,1,0|1,0,1]=4 87 B9R1.33 CC1=C(CCCl)SC=N1 HY-129105 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.33 CC1=C(CCCl)SC=N1 HY-A0296 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.33 CC1=C(CCO)SC=N1 HY-W015695 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.33 CC1=C(CCO)SC=N1 HY-W015695R [0,1,0,0,1,0|2,0,0]=4 91 B11R1.1 CNCCC1=CC=C(O)C=C1 HY-W153897 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.1 COCCC1=CC=C(O)C=C1 HY-42084 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.1 OCCCC1=CC=C(O)C=C1 HY-N1753 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.22 CCC(C)C1=CC=C(O)C=C1 HY-23497 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.34 CCCC1=CC(O)=CC(O)=C1 HY-W110493 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.28 BrCCCOC1=CC=CC=C1 HY-W019627 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.28 NCCSSC1=NC=CC=C1 HY-101794 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.28 OCCSSC1=NC=CC=C1 HY-136135 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,2,0,0,0,0|1,0,0]=3 109 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-17447A [0,1,0,1,0,0|2,0,0]=4 110 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,1,0|1,0,0]=3 112 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,1,0|2,0,0]=4 113 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,0,0,0,1,0|2,0,0]=4 114 B7R1.1 OCC1=CNN=C1 HY-33914 [1,0,0,0,1,0|2,0,0]=4 115 B7R1.1 OCC1=COC=C1 HY-W007708 [1,0,0,0,1,0|2,0,0]=4