0 B7R1.4 BrC1=CSC=C1Br HY-20022 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 CN1C=CN=C1S HY-B0208 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CN1SC=CC1=O HY-W010243 [0,0,0,0,0,0|1,2,0]=3 4 B7R1.4 CN1SC=CC1=O HY-W010520 [0,0,0,0,0,0|1,2,0]=3 5 B7R1.4 NC1=NNC=C1Br HY-W007681 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=CNC=N1 HY-W002226 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 BrC1=CNN=C1 HY-78243 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 BrC1=CSC=C1 HY-59299 [1,0,0,0,0,0|1,1,0]=3 9 B6R1.2 BrC1=NC=CS1 HY-W001223 [1,0,0,0,0,0|2,1,0]=4 10 B6R1.2 CC1=CC=CS1 HY-W010615 [1,0,0,0,0,0|0,1,0]=2 11 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 CC1=NNC=C1 HY-66054 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 CN1C=CN=C1 HY-59137 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 IC1=CN=CN1 HY-W002802 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 NC1=NC=CN1 HY-W062216 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 NC1=NOC=C1 HY-W007329 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,0,0,0|1,1,1]=4 19 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [0,1,0,0,0,0|1,1,1]=4 21 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,1,0,0,0,0|0,1,1]=3 22 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,1,0,0,0,0|2,1,0]=4 25 B8R1.18 CN1SC(Cl)=CC1=O HY-W017982 [0,1,0,0,0,0|1,2,0]=4 26 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,0,0,0|0,1,1]=3 28 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,1,0,0,0|2,0,1]=4 31 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.6 CCC\C=C\C=O HY-128429 [0,0,1,0,0,0|1,1,1]=4 33 B6R0.6 C\C=C\C=C\CO HY-W017690 [0,0,1,0,0,0|1,1,1]=4 34 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [0,0,0,0,0,1|2,0,0]=3 43 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [0,0,0,0,0,1|2,1,0]=4 50 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 NC1=NC(Cl)=NC=C1 HY-30139 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [0,0,0,0,0,1|2,1,0]=4 57 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [0,0,0,0,0,1|2,1,0]=4 58 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [0,0,0,0,0,1|2,1,0]=4 59 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [0,0,0,0,0,1|2,1,0]=4 60 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [0,0,0,0,0,1|2,1,0]=4 61 B8R1.4 O=C1NC=CC(=S)N1 HY-W010417 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [0,0,0,0,0,1|2,1,0]=4 63 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [0,0,0,0,0,1|2,1,0]=4 64 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [0,0,0,0,0,1|2,1,0]=4 65 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [0,0,0,0,0,1|2,0,0]=3 67 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [0,0,0,0,0,1|2,0,0]=3 68 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [0,0,0,0,0,1|2,0,0]=3 69 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,0,0,0,0,1|1,1,0]=3 70 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.5 ClC1=NC=CC=C1I HY-32753 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.5 FC1=CC=CC=C1I HY-34673 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.5 FC1=CN=CC=C1I HY-W012392 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.5 NC1=C(Cl)N=CC=N1 HY-W007499 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,0,0,0,0,1|2,1,0]=4 81 B8R1.5 NC1=CC=CC=C1I HY-W007318 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.5 NC1=CC=CN=C1Br HY-66051 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.5 NC1=NC=CC=C1I HY-32813 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,0,0,0,0,1|1,1,0]=3 86 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [0,0,0,0,0,1|2,1,0]=4 87 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,0,0,0,0,1|2,1,0]=4 88 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,0,0,0,0,1|2,1,0]=4 89 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,1,0,0,0|1,0,1]=4 90 B5R0.1 CC(C)=CC=O HY-34409 [1,0,1,0,0,0|1,0,1]=4 91 B5R0.1 CC(C)=CCO HY-W013035 [1,0,1,0,0,0|1,0,1]=4 92 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,1,0,0,0|1,0,1]=4 93 B5R0.2 CC\C=C/CO HY-W030347 [1,0,1,0,0,0|0,0,2]=4 94 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,1,0,0,0|0,0,2]=4 95 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,1,0,0,0|1,1,0]=4 96 B5R1.1 C1=CNC=N1 HY-D0837 [2,0,0,0,0,0|2,0,0]=4 97 B5R1.1 C1=CNC=N1 HY-ER010 [2,0,0,0,0,0|2,0,0]=4 98 B5R1.1 C1=CNN=C1 HY-76228 [2,0,0,0,0,0|2,0,0]=4 99 B5R1.1 C1=COC=N1 HY-34631 [2,0,0,0,0,0|1,0,0]=3 100 B5R1.1 C1=CON=C1 HY-W010649 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,1,0,0,0|1,1,0]=4 102 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,1,1,0,0,0|1,1,0]=4 103 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,1,1,0,0,0|1,1,0]=4 104 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,1,1,0,0,0|1,1,0]=4 105 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,1,1,0,0,0|1,1,0]=4 106 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,1,1,0,0,0|1,1,0]=4 107 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,1,0,0,0,0|0,1,1]=4 109 B7R1.1 O=CC1=CNC=C1 HY-59307 [1,1,0,0,0,0|1,1,0]=4 110 B7R1.1 OCC1=CC=CS1 HY-34751 [1,1,0,0,0,0|0,1,0]=3 111 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,1,0,0,0,0|1,1,0]=4 112 B7R1.1 OCC1=COC=C1 HY-W007708 [1,1,0,0,0,0|0,1,0]=3 113 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,1,0,0,0,0|1,0,1]=4 114 B7R1.2 CC1=CC(N)=NN1 HY-75637 [1,1,0,0,0,0|2,0,0]=4 115 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,1,0,0,0,0|1,0,0]=3 116 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,1,0,0,0,0|0,0,1]=3 117 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,1,0,0,0,0|1,1,0]=4 118 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,1,0,0,0,0|2,0,0]=4 119 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,1,0,0,0,0|2,0,0]=4 120 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,1,0,0,0,1|1,1,0]=4 122 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,1,0,0,0,1|2,0,0]=4 123 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [0,1,0,0,0,1|1,1,0]=4 124 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,1,0,0,0,1|1,1,0]=4 125 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [0,1,0,0,0,1|1,1,0]=4 128 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,1,0,0,0,1|0,1,0]=3 130 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,1,0,0,0,1|1,1,0]=4 131 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [0,1,0,0,0,1|0,1,0]=3 132 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HY-W011934 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-D0168 [0,1,0,0,0,1|1,1,0]=4 134 B9R1.69 CC1=C(Br)C=CC(Br)=N1 HY-W003282 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [0,1,0,0,0,1|1,1,0]=4 137 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [0,1,0,0,0,1|1,1,0]=4 138 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [0,1,0,0,0,1|1,1,0]=4 139 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [0,1,0,0,0,1|1,1,0]=4 140 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [0,1,0,0,0,1|1,1,0]=4 142 B9R1.15 COC1=CC=CC=C1O HY-B2115 [0,1,0,0,0,1|1,1,0]=4 143 B9R1.15 COC1=CC=CC=C1O HY-N1380 [0,1,0,0,0,1|1,1,0]=4 144 B9R1.15 COC1=CC=CC=C1O HY-N1380R [0,1,0,0,0,1|1,1,0]=4 145 B9R1.15 COC1=NC=CC=C1Br HY-32755 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.15 NCC1=CC=CC=C1O HY-34350 [0,1,0,0,0,1|1,1,0]=4 148 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [0,1,0,0,0,1|1,1,0]=4 150 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,2,0,0,0,0|0,1,1]=4 151 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,1,1,0,0|2,0,0]=4 152 B9R2.3 C1=CC2=C(C=CS2)S1 HY-34607 [0,1,0,1,0,0|0,1,1]=4