0 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(N)C1=CC=C(Br)C=C1 ALBB-012237 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 ALBB-002133 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(N)C1=CC=C(F)C=C1 ALBB-002132 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC(O)C1=CC=C(Br)C=C1 ALBB-026428 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 CC1=CC=C(C(=O)O)C=N1 ALBB-016354 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 ALBB-026935 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ALBB-006572 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ALBB-023898 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 NC1=NC=C(C(=O)O)C=C1 ALBB-005967 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 ALBB-012419 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 O=C1C=CC(C(=O)O)=CO1 ALBB-033465 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.13 O=C1C=CC(C(=O)O)=NN1 ALBB-005625 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 ALBB-006093 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 OB(O)C1=CC=C(F)C=C1 ALBB-006109 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.1 CC1=CC=C(CO)C=N1 ALBB-030074 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.1 NCC1=CC=C(N)C=C1 ALBB-025554 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 NCC1=CC=C(O)C=C1 ALBB-004114 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 NNC1=CC=C(Br)C=C1 ALBB-024948 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 NNC1=CC=C(Cl)C=C1 ALBB-005982 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 NNC1=CC=C(I)C=C1 ALBB-024947 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 CC(N)C1=CC=CC=C1 ALBB-032928 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 N=C(N)C1=CC=NC=C1 ALBB-031225 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 NC(=S)C1=CC=NC=C1 ALBB-014817 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.6 NC(=S)C1=CN=CC=C1 ALBB-014818 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.6 OB(O)C1=CC=CN=C1 ALBB-006011 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.3 CCC1=CC=C(B(O)O)C=C1 ALBB-006104 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.3 COC1=CC=C(C(C)N)C=C1 ALBB-001478 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.3 COC1=NC=C(C(=O)O)C=C1 ALBB-028049 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 ALBB-015033 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ALBB-036362 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 ALBB-031591 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 ALBB-017953 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 ALBB-029043 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 ALBB-006114 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 ALBB-006031 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 ALBB-004401 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 ALBB-016820 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 ALBB-014349 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 ALBB-014349 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 ALBB-006209 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 ALBB-013962 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.21 CC1=CC([N+](=O)[O-])=CC=[N+]1O ALBB-035126 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.21 CN1C=C(C(=O)O)C=CC1=O ALBB-000156 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 ALBB-026895 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 ALBB-032708 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.21 O=[N+]([O-])C1=CC(I)=C(O)C=C1 ALBB-024694 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 ALBB-006122 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 ALBB-014812 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 ALBB-012016 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 ALBB-002184 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.22 CNC(=O)C1=CN=C(Br)C=C1 ALBB-033764 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ALBB-026631 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 ALBB-006243 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.22 COC(=O)C1=NC=C(C)N=C1 ALBB-027674 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 ALBB-024415 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.22 NCC(O)C1=CC=C(O)C=C1 ALBB-025791 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 ALBB-001058 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.22 NNC(=O)C1=CN=C(Cl)C=C1 ALBB-030715 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ALBB-014811 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.22 N\C(=N\O)C1=CC=C(Cl)N=C1 ALBB-034077 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 ALBB-031762 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 ALBB-036263 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 ALBB-016128 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 ALBB-026578 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 ALBB-017532 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 ALBB-005466 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 ALBB-005392 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.166 NC1=CC(N)=C([N+](=O)[O-])C=C1 ALBB-025768 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.166 O=C(Cl)C1=CC=C(Cl)C=C1O ALBB-032119 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 ALBB-025843 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 ALBB-006121 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.35 CC1=CC(C(=O)O)=NO1 ALBB-000121 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.35 CC1=CC=C(C(=O)Cl)O1 ALBB-028818 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.35 CC1=CC=C(C(=O)Cl)S1 ALBB-011191 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.35 CC1=CC=C(C(=O)O)O1 ALBB-026656 [0,0,0,0,1,0|2,0,0]=3 82 B9R1.35 CC1=CC=C(C(=O)O)S1 ALBB-000788 [0,0,0,0,1,0|2,0,0]=3 83 B9R1.35 CC1=NC(C(=O)O)=CO1 ALBB-016466 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.35 CC1=NC=C(C(=O)O)S1 ALBB-024727 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.35 CC1=NNC(C(=O)O)=C1 ALBB-006653 [0,0,0,0,1,0|3,0,0]=4 86 B9R1.35 CN1C=C(C(=O)O)C=N1 ALBB-000147 [0,0,0,0,1,0|3,0,0]=4 87 B9R1.35 CN1C=CC(C(=O)O)=N1 ALBB-004719 [0,0,0,0,1,0|3,0,0]=4 88 B9R1.35 NC(=O)C1=CC=C(Br)S1 ALBB-010193 [0,0,0,0,1,0|3,0,0]=4 89 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.35 NC1=CC(C(=O)O)=NN1 ALBB-000317 [0,0,0,0,1,0|3,0,0]=4 91 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 ALBB-011190 [0,0,0,0,1,0|3,0,0]=4 92 B9R1.35 O=C(O)C1=CC(Br)=CS1 ALBB-000933 [0,0,0,0,1,0|2,0,0]=3 93 B9R1.35 O=C(O)C1=CC(Br)=NO1 ALBB-034815 [0,0,0,0,1,0|3,0,0]=4 94 B9R1.35 O=C(O)C1=CC(O)=NO1 ALBB-005422 [0,0,0,0,1,0|2,0,0]=3 95 B9R1.35 O=C(O)C1=CC=C(Br)S1 ALBB-000786 [0,0,0,0,1,0|2,0,0]=3 96 B9R1.35 O=C(O)C1=CC=C(Cl)S1 ALBB-000787 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.35 O=C(O)C1=CSC(Br)=N1 ALBB-026644 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.20 CC(C)NC1=CC=C(O)C=C1 ALBB-034567 [0,0,0,0,0,1|2,0,1]=4 99 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 ALBB-034272 [0,0,0,0,0,1|2,1,0]=4 100 B8R1.2 OCC1=CC=NC=C1 ALBB-021945 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.1 CC1=CC=C(N=S=O)C=C1 ALBB-026545 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 O=C=NC1=CC=C(Br)C=C1 ALBB-003027 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.1 O=C=NC1=CC=C(F)C=C1 ALBB-007519 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.1 O=S=NC1=CC=C(Br)C=C1 ALBB-026567 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.1 O=S=NC1=CC=C(Cl)C=C1 ALBB-026535 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 ALBB-013672 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.3 CNC1=CC=C(OC)C=C1 ALBB-025697 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.3 COC1=CC=C(NN)C=C1 ALBB-016395 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.3 N#CC1=CC=C(C=O)C=C1 ALBB-005986 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.3 NCC1=CC=C(CO)C=C1 ALBB-014308 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.25 COC1=C(O)C=C(O)C=C1 ALBB-013787 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 ALBB-010675 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.176 CCC1=CC(Cl)=C(O)C=C1 ALBB-032446 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.176 COC1=CC(N)=C(O)C=C1 ALBB-018182 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.176 N#CC1=CC(N)=C(O)C=C1 ALBB-025748 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.176 NC1=C(N)C=C(CO)C=C1 ALBB-035103 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 ALBB-004277 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.176 O=CC1=CC(F)=C(O)C=C1 ALBB-006384 [1,1,0,0,0,0|0,0,0]=2 120 B10R1.176 OCC1=CC(Br)=C(O)C=C1 ALBB-016067 [1,1,0,0,0,0|0,0,1]=3 121 B10R1.15 COC(=N)C1=CC=CC=C1 ALBB-033150 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.15 COC(=N)C1=CC=CC=N1 ALBB-033273 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.15 COC(=N)C1=CC=CN=C1 ALBB-033274 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.15 COC(=N)C1=CC=NC=C1 ALBB-033275 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.15 COC(=O)C1=NC=CN=C1 ALBB-014717 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.15 NNC(=O)C1=CC=CC=N1 ALBB-001060 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.15 NNC(=O)C1=CN=CC=C1 ALBB-025730 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ALBB-014807 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.15 N\C(=N/O)C1=CC=NC=C1 ALBB-014810 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.15 N\C(=N/O)C1=CN=CC=C1 ALBB-014809 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.15 N\C(=N/O)C1=NC=CC=C1 ALBB-014808 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.15 OC(CBr)C1=CC=CC=C1 ALBB-030701 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.61 CC(O)C1=CC=CC=C1N ALBB-026300 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.61 CC1=CN=CC=C1C(=O)O ALBB-031683 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 ALBB-031172 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ALBB-008671 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 ALBB-016422 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 O=C(O)C1=C(S)N=CC=C1 ALBB-005999 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.61 OB(O)C1=C(F)C=CC=C1 ALBB-006127 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.61 OB(O)C1=CC=CC=C1Cl ALBB-006098 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ALBB-016300 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 ALBB-022380 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.113 NC1=CC(B(O)O)=CC=C1 ALBB-006090 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.113 NC1=CC(B(O)O)=CC=C1 ALBB-006090 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.113 NC1=CC(C(=O)O)=NC=C1 ALBB-030554 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 ALBB-028821 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 ALBB-022487 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 ALBB-017976 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 ALBB-006092 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.113 OB(O)C1=CC=CC(F)=C1 ALBB-006113 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.14 COC(=O)C1=CC(O)=NO1 ALBB-005495 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.14 COC(=O)C1=CC=C(Br)O1 ALBB-005478 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.14 COC(=O)C1=CC=C(C)O1 ALBB-026666 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.14 COC(=O)C1=CC=C(C)S1 ALBB-017974 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.14 COC(=O)C1=CSC(C)=C1 ALBB-017971 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.31 CCC1=CC(C(=O)O)=CS1 ALBB-000922 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.31 CCC1=CC=C(C(=O)O)S1 ALBB-000936 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.31 O=C(O)C1=CC=C(CO)O1 ALBB-004523 [0,1,0,0,1,0|1,0,0]=3 159 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 ALBB-017969 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 ALBB-000792 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.194 CC1=C(C(=O)O)C=CN1C ALBB-021978 [0,1,0,0,1,0|2,0,0]=4 162 B10R1.194 CC1=CC=C(C(=O)O)N1C ALBB-032917 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 ALBB-001396 [0,1,0,0,0,1|1,0,1]=4 164 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 ALBB-012187 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 ALBB-009350 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.19 CC(=O)NC1=CC(N)=C(C)C=C1 ALBB-031746 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 ALBB-017137 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 ALBB-026162 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 ALBB-026583 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 ALBB-007085 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 ALBB-010530 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 ALBB-002258 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 ALBB-017013 [0,1,0,0,0,1|1,1,0]=4 174 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 ALBB-022754 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 ALBB-001041 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 ALBB-001040 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 ALBB-020997 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 ALBB-002667 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 ALBB-010614 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 ALBB-010554 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 ALBB-002249 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 ALBB-002248 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 ALBB-002247 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 ALBB-019129 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.49 O=C(CCl)OC1=CC=C(Br)C=C1 ALBB-027000 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 ALBB-017011 [0,1,0,0,0,1|1,1,0]=4 187 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 ALBB-035035 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 ALBB-010363 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O ALBB-005865 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.233 CC(=O)NC1=CC=C(O)C=C1C ALBB-033428 [0,1,0,0,0,1|1,0,0]=3 191 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 ALBB-025894 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 ALBB-005681 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 ALBB-005683 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 ALBB-018627 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 ALBB-026582 [0,2,0,0,0,0|0,0,1]=3 196 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 ALBB-017948 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 ALBB-016163 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 ALBB-029044 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 ALBB-024949 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 ALBB-028499 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 ALBB-005868 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.6 NNC1=CC=C(S(=O)(=O)O)C=C1 ALBB-023572 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 ALBB-013960 [0,2,0,0,0,0|0,0,0]=2 204 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O ALBB-025040 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.48 COC1=COC(C(=O)O)=CC1=O ALBB-028631 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 ALBB-003042 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.113 CC(=O)C1=CC=C(N=C=S)C=C1 ALBB-003063 [0,2,0,0,0,0|1,1,0]=4 208 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 ALBB-005462 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 ALBB-016167 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 ALBB-016167 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 ALBB-029711 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.113 OC(=O)C1=CC=C(OCC)C=C1 ALBB-035122 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 ALBB-035799 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 ALBB-023402 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 ALBB-006102 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 ALBB-013791 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.452 COC1=CC=C(C(=O)O)C(O)=C1 ALBB-032509 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=C1 ALBB-031669 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.23 NC1=C(N)C=C(S(=O)(=O)O)C=C1 ALBB-025771 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.23 NC1=C(O)C=CC(S(=O)(=O)O)=C1 ALBB-025872 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.23 NC1=CC(S(N)(=O)=O)=CC=C1O ALBB-014716 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.56 CC1=CC=C(C(=O)O)C=C1NN ALBB-006409 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O ALBB-025480 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 ALBB-023731 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.56 NCC1=C(O)C=CC([N+](=O)[O-])=C1 ALBB-035544 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.232 CC(=O)C1=C(C)C=C(C)C(C)=C1 ALBB-005962 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.232 CC1=CC(=O)C(C(=O)O)=CN1C ALBB-026579 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.367 CC1=C(Cl)C=C(C(=O)NN)C=C1 ALBB-026173 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.367 CC1=CC=C(C(=O)NN)C=C1O ALBB-032114 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 ALBB-002895 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 ALBB-026236 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 ALBB-010745 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 ALBB-025684 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 ALBB-026058 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 ALBB-013963 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 ALBB-010445 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 ALBB-013959 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.367 NNC(=O)C1=CC=C(F)C(F)=C1 ALBB-030997 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.367 NNC(=O)C1=CC=C(N)C(N)=C1 ALBB-005938 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.367 NNC(=O)C1=CC=C(O)C(Cl)=C1 ALBB-032098 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 ALBB-019715 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.367 O=C(CCl)C1=CC=C(O)C(Cl)=C1 ALBB-012174 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.893 CC(=O)C1=CC=C(O)C(O)=C1O ALBB-015601 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.893 CC1=C(O)C=CC(C(=O)O)=C1O ALBB-035120 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.1005 CC(=O)C1=CC(C)=C(O)C(Cl)=C1 ALBB-023813 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N ALBB-032191 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.1005 O=C(O)C1=CC(O)=C(Cl)C(O)=C1 ALBB-018281 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 ALBB-012316 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.16 CCOC(=N)C1=CC=C(C)C=C1 ALBB-033232 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 ALBB-033230 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 ALBB-033231 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 ALBB-025985 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 ALBB-025740 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 ALBB-023915 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 ALBB-008723 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.1703 CC1=CC(Cl)=C(C(=O)NN)C=C1 ALBB-026175 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.1703 CC1=CC=C(C(=O)NN)C(O)=C1 ALBB-032817 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 ALBB-027290 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 ALBB-031593 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Cl ALBB-036471 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.1703 C\C(=N/O)C1=CC=C(O)C=C1O ALBB-005296 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O ALBB-002674 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O ALBB-002499 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C ALBB-022477 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O ALBB-015674 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 ALBB-031238 [0,2,0,0,0,0|2,0,0]=4 267 B12R2.606 CC1=CC=C2N=C(O)SC2=C1 ALBB-026902 [0,0,0,1,0,1|1,1,0]=4 268 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 ALBB-015046 [0,0,0,1,0,1|2,0,0]=4 269 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 ALBB-013599 [0,0,0,1,0,1|1,0,0]=3 270 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 ALBB-013600 [0,0,0,1,0,1|2,0,0]=4 271 B12R2.606 CC1=NC2=CC(O)=CC=C2S1 ALBB-014676 [0,0,0,1,0,1|2,0,0]=4 272 B12R2.606 CC1=NC2=CC=C(O)C=C2O1 ALBB-025448 [0,0,0,1,0,1|1,0,0]=3 273 B12R2.606 FC1=CC=C2N=C(S)OC2=C1 ALBB-036260 [0,0,0,1,0,1|1,1,0]=4 274 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 ALBB-022013 [0,0,0,1,0,1|2,0,0]=4 275 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 ALBB-024994 [0,0,0,1,0,1|2,0,0]=4 276 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 ALBB-024994 [0,0,0,1,0,1|2,0,0]=4 277 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 ALBB-023220 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 ALBB-016547 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.606 NC1=NC2=CC=C(O)C=C2S1 ALBB-005802 [0,0,0,1,0,1|1,1,0]=4 280 B12R2.606 NC1=NC2=CC=C(O)C=C2S1 ALBB-005802 [0,0,0,1,0,1|1,1,0]=4 281 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 ALBB-021329 [0,0,0,1,0,1|2,0,0]=4 282 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 ALBB-006976 [0,0,0,1,0,1|2,0,0]=4 283 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 ALBB-023609 [0,0,0,1,0,1|1,0,0]=3 284 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 ALBB-012653 [0,0,0,1,0,1|1,1,0]=4 285 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 ALBB-012646 [0,0,0,1,0,1|1,0,0]=3 286 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 ALBB-012641 [0,0,0,1,0,1|2,0,0]=4 287 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 ALBB-026683 [0,0,0,1,0,1|2,0,0]=4 288 B12R2.606 OC1=NC2=CC=C(F)C=C2N1 ALBB-030906 [0,0,0,1,0,1|2,0,0]=4 289 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 ALBB-004132 [0,0,0,1,0,1|1,1,0]=4 290 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 ALBB-025001 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.1 O=CC1=CC=C(Br)O1 ALBB-004687 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.7 CC(=O)C1=CSC=C1 ALBB-005994 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.7 O=C(O)C1=CN=CS1 ALBB-013700 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.7 O=C(O)C1=CNC=N1 ALBB-025706 [1,0,0,0,1,0|2,0,0]=4 295 B8R1.7 O=C(O)C1=COC=C1 ALBB-005990 [1,0,0,0,1,0|1,0,0]=3 296 B8R1.7 O=C(O)C1=CSC=C1 ALBB-012106 [1,0,0,0,1,0|1,0,0]=3 297 B8R1.7 O=C(O)C1=NNC=C1 ALBB-006075 [1,0,0,0,1,0|2,0,0]=4 298 B10R1.18 CC(=O)CC1=NC=CC=C1 ALBB-014921 [1,0,0,0,0,1|2,0,0]=4 299 B10R1.18 CC(=O)NC1=CC=CN=C1 ALBB-017764 [1,0,0,0,0,1|2,0,0]=4 300 B10R1.18 CC(=O)OC1=CC=CN=C1 ALBB-021947 [1,0,0,0,0,1|2,0,0]=4 301 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [1,0,0,0,0,1|1,1,0]=4 302 B10R1.18 O=C(O)CC1=CC=CN=C1 ALBB-033044 [1,0,0,0,0,1|1,0,0]=3 303 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 ALBB-026141 [0,0,0,0,0,2|2,0,0]=4 304 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 ALBB-003987 [0,0,0,0,0,2|1,0,0]=3 305 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 ALBB-010814 [0,0,0,0,0,2|2,0,0]=4 306 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 ALBB-000230 [0,0,0,0,0,2|1,0,0]=3 307 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 ALBB-011747 [0,0,0,0,0,2|2,0,0]=4 308 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ALBB-011725 [0,0,0,0,0,2|1,0,0]=3 309 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 ALBB-008744 [0,0,0,0,0,2|2,0,0]=4 310 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 ALBB-029905 [0,0,0,0,0,2|2,0,0]=4 311 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 ALBB-008749 [0,0,0,0,0,2|1,0,0]=3 312 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 ALBB-011207 [0,0,0,0,0,2|2,0,0]=4 313 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 ALBB-010816 [0,0,0,0,0,2|2,0,0]=4 314 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 ALBB-011746 [0,0,0,0,0,2|2,0,0]=4 315 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 ALBB-011745 [0,0,0,0,0,2|2,0,0]=4 316 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 ALBB-029466 [0,0,0,0,0,2|1,0,0]=3 317 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 ALBB-027322 [0,0,0,0,0,2|1,0,0]=3 318 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 ALBB-022620 [0,0,0,0,0,2|1,0,0]=3 319 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 ALBB-000805 [0,0,0,0,0,2|1,0,0]=3 320 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 ALBB-000235 [0,0,0,0,0,2|1,0,0]=3 321 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 ALBB-009422 [0,0,0,0,0,2|1,0,0]=3 322 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ALBB-011724 [0,0,0,0,0,2|1,0,0]=3 323 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ALBB-011722 [0,0,0,0,0,2|1,0,0]=3 324 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ALBB-011723 [0,0,0,0,0,2|1,0,0]=3