0 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 N\C(=N/O)C1=CC=CS1 HY-117052 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.7 O=[N+]([O-])C1=CN=CN1 HY-78644 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.8 NCCC1=CN=CN1 HY-B0722 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.8 NCCC1=CN=CN1 HY-B0722R [1,0,0,0,0,0|2,0,1]=4 20 B8R1.8 NCCC1=CN=CN1 HY-B1204 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.8 NCCC1=CN=CN1 HY-B1204R [1,0,0,0,0,0|2,0,1]=4 22 B10R1.11 CCOC(=O)C1=CNN=C1 HY-100040 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.11 CCOC(=O)C1=COC=N1 HY-69111 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.11 CCOC(=O)C1=NC=CN1 HY-20460 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.149 COC(=O)C1=C(N)C=CS1 HY-20095 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [0,0,0,0,0,1|1,0,2]=4 28 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,0,0,0,0,1|1,0,1]=3 31 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,0,0,0,0,1|1,0,1]=3 32 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [0,0,0,0,0,1|1,0,1]=3 33 B10R1.15 NNC(=O)C1=CC=CN=C1 HY-W012617 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.15 NNC(=O)C1=CC=NC=C1 HY-B0329 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.15 NNC(=O)C1=CC=NC=C1 HY-B0329R [0,0,0,0,0,1|3,0,0]=4 36 B10R1.15 NNC(=O)C1=NC=CC=C1 HY-W010341 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [0,0,0,0,0,1|3,0,0]=4 41 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|2,0,0]=4 44 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,1,0,0,0|2,0,0]=4 45 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,1,0,0,0|2,0,0]=4 46 B7R1.1 CCN1C=CC=N1 HY-Z1094 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.1 O=CC1=CC=CS1 HY-W012941 [2,0,0,0,0,0|1,0,0]=3 48 B7R1.1 O=CC1=CN=CS1 HY-69015 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.1 O=CC1=CNC=C1 HY-59307 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.1 O=CC1=CNC=N1 HY-59303 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.1 O=CC1=NC=CN1 HY-W007321 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.1 OCC1=CC=CS1 HY-34751 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.41 CN1N=CC=C1C(=O)O HY-34505 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [0,1,0,0,0,1|1,0,0]=3 58 B11R1.16 CCOC(=O)C1=CC=CC=C1 HY-W017439 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.16 O=C(CCCl)C1=CC=CC=C1 HY-107857 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.16 O=C(NCO)C1=CC=CN=C1 HY-116993 [0,1,0,0,0,1|1,0,1]=4 61 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 HY-B1353 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HY-N0349R [0,1,0,0,0,1|2,0,0]=4 64 B11R1.22 COC(=O)C1=CN=C(C)C=C1 HY-76047 [0,1,0,0,0,1|1,0,1]=4 65 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 HY-32778 [0,1,0,0,0,1|1,0,1]=4 66 B11R1.22 COC(=O)C1=NC=C(O)C=C1 HY-W005963 [0,1,0,0,0,1|1,0,1]=4 67 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 HY-W008598 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 HY-W002314 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 HY-W015318 [0,1,0,0,0,1|1,0,0]=3 70 B11R1.23 COC(=O)C1=CC(N)=NC=C1 HY-W003145 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 HY-Z0690 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.23 COC(=O)C1=CC=CC(O)=C1 HY-90004 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 HY-76562 [0,1,0,0,0,1|1,0,1]=4 74 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HY-W018758 [0,1,0,0,0,1|1,0,1]=4 75 B11R1.36 O=C(C1=CC=CC=C1)C(O)O HY-128407 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HY-W002874 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.222 COC(=O)C1=CC=CC=C1O HY-Y0189 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.222 COC(=O)C1=CC=CC=C1O HY-Y0189R [0,1,0,0,0,1|2,0,0]=4 79 B11R1.222 COC(=O)C1=CC=CN=C1N HY-76735 [0,1,0,0,0,1|1,0,1]=4 80 B11R1.222 O=C(CBr)C1=CC=CC=C1F HY-W004082 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 HY-W002625 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.15 CCOC(=O)C1=CN=C(N)S1 HY-50301 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.15 CCOC(=O)C1=NNC(C)=C1 HY-34027 [0,2,0,0,0,0|1,0,1]=4 84 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [0,0,1,1,0,0|2,0,0]=4 85 B11R2.1 O=C1CCC2=C1C=CC=C2 HY-W004333 [0,0,0,1,0,1|1,0,0]=3 86 B11R2.1 O=C1NCC2=C1C=CC=C2 HY-W004767 [0,0,0,1,0,1|2,0,0]=4 87 B11R2.1 O=C1OCC2=CC=CC=C12 HY-W015820 [0,0,0,1,0,1|2,0,0]=4 88 B11R2.106 O=C1CCCC2=C1C=CS2 HY-78667 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.6 CC(=O)C1=CC=CC=C1 HY-Y0989 [1,0,0,0,0,1|1,0,0]=3 90 B9R1.6 CC(=O)C1=CC=NC=C1 HY-Y0179 [1,0,0,0,0,1|1,0,0]=3 91 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [1,0,0,0,0,1|0,0,1]=3 92 B9R1.6 NC(=O)C1=CC=CC=C1 HY-Z0283 [1,0,0,0,0,1|2,0,0]=4 93 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [1,0,0,0,0,1|1,0,1]=4 94 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150R [1,0,0,0,0,1|1,0,1]=4 95 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843 [1,0,0,0,0,1|2,0,0]=4 96 B9R1.6 NC(=O)C1=CC=NC=C1 HY-W012843R [1,0,0,0,0,1|2,0,0]=4 97 B9R1.6 NC(=O)C1=NC=CC=C1 HY-101020 [1,0,0,0,0,1|1,0,1]=4 98 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [1,0,0,0,0,1|1,0,1]=4 99 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216 [1,0,0,0,0,1|2,0,0]=4 100 B9R1.6 O=C(O)C1=CC=CC=C1 HY-N0216R [1,0,0,0,0,1|2,0,0]=4 101 B9R1.6 O=C(O)C1=CC=CC=C1 HY-W015761 [1,0,0,0,0,1|2,0,0]=4 102 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660 [1,0,0,0,0,1|1,0,1]=4 103 B9R1.6 O=C(O)C1=CC=CC=N1 HY-I0660R [1,0,0,0,0,1|1,0,1]=4 104 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143 [1,0,0,0,0,1|1,0,1]=4 105 B9R1.6 O=C(O)C1=CC=CN=C1 HY-B0143R [1,0,0,0,0,1|1,0,1]=4 106 B9R1.6 O=C(O)C1=CC=NC=C1 HY-I0736 [1,0,0,0,0,1|2,0,0]=4 107 B9R1.6 O=C(O)C1=NC=CC=N1 HY-60346 [1,0,0,0,0,1|1,0,1]=4 108 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [1,0,0,0,0,1|1,0,1]=4 109 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [1,0,0,0,0,1|1,0,1]=4 110 B9R1.6 O=C(O)C1=NC=NC=C1 HY-W002404 [1,0,0,0,0,1|1,0,1]=4 111 B9R1.6 [15NH2]C(=O)C1=CC=CC=C1 HY-Z0283S [1,0,0,0,0,1|2,0,0]=4 112 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,0,0,0,0,1|2,0,0]=4 113 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [0,0,0,0,0,2|2,0,0]=4