0 B9R1.6 N=C(N)C1=CC=CC=C1 ALBB-021313 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 O=C(O)C1=CC=CN=N1 ALBB-012268 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.2 NCC1=NC=CN=C1 ALBB-027348 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.13 CC1=CN=C(C(=N)N)C=N1 ALBB-031253 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 ALBB-019968 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.7 CC(=O)C1=NC=CN1 ALBB-021708 [0,0,0,0,1,0|2,0,0]=3 12 B8R1.7 CC(=O)C1=NC=NN1 ALBB-014861 [0,0,0,0,1,0|3,0,0]=4 13 B8R1.7 CC(N)C1=CSC=N1 ALBB-015230 [0,0,0,0,1,0|2,0,1]=4 14 B8R1.7 N=C(N)C1=CNC=N1 ALBB-036384 [0,0,0,0,1,0|2,0,0]=3 15 B8R1.7 NC(=O)C1=CNN=C1 ALBB-016381 [0,0,0,0,1,0|1,0,0]=2 16 B8R1.7 O=C(Cl)C1=CC=NN1 ALBB-030529 [0,0,0,0,1,0|2,0,0]=3 17 B8R1.7 O=C(Cl)C1=CNN=C1 ALBB-036412 [0,0,0,0,1,0|2,0,0]=3 18 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.7 O=N(=O)C1=CON=C1 ALBB-032279 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.18 CC(=O)CC1=NC=CN=C1 ALBB-018085 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [0,0,0,0,0,1|1,0,0]=2 24 B9R1.1 CC1=CC=C(CCl)C=N1 ALBB-030075 [1,1,0,0,0,0|1,0,1]=4 25 B9R1.1 CC1=CC=C(CN)C=N1 ALBB-030077 [1,1,0,0,0,0|0,0,1]=3 26 B9R1.1 CC1=CN=C(C=O)C=N1 ALBB-027969 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,1,0,0,0,0|0,0,1]=3 28 B9R1.1 NCC1=CC=C(Cl)N=C1 ALBB-008885 [1,1,0,0,0,0|0,0,1]=3 29 B9R1.1 NNC1=CN=C(Cl)C=C1 ALBB-018233 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.1 OCC1=CC=C(O)N=C1 ALBB-016810 [1,1,0,0,0,0|0,0,2]=4 31 B9R1.2 C=CC1=CC(O)=CC=C1 ALBB-026649 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.8 NCCC1=NC=CN=C1 ALBB-014355 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.15 NCC1=CC=CN=C1Cl ALBB-022798 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,1,0,0,0,0|0,0,1]=3 37 B9R1.15 NCC1=CC=CN=C1N ALBB-014428 [1,1,0,0,0,0|0,0,1]=3 38 B9R1.11 CCC(=O)C1=NC=CS1 ALBB-015272 [0,1,0,0,1,0|2,0,0]=4 39 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 42 B9R1.11 NCC(=O)C1=CSC=C1 ALBB-028035 [0,1,0,0,1,0|1,0,0]=3 43 B9R1.11 NNC(=O)C1=CSN=N1 ALBB-029068 [0,1,0,0,1,0|2,0,0]=4 44 B9R1.11 N\C(=N/O)C1=CNC=N1 ALBB-036383 [0,1,0,0,1,0|1,0,1]=4 45 B9R1.35 CC(=O)C1=CN=C(N)O1 ALBB-025486 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.35 CC(=O)C1=CSC(C)=N1 ALBB-015201 [0,1,0,0,1,0|2,0,0]=4 47 B9R1.35 CC(=O)C1=NC(C)=CN1 ALBB-026369 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,1,0,0,1,0|2,0,0]=4 50 B9R1.35 CC1=CC=C(C(=N)N)O1 ALBB-016449 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.35 CC1=CN=C(C(=O)[O-])S1 ALBB-015215 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.35 CC1=CNC(C(=O)O)=N1 ALBB-014829 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.35 CC1=CSC(C(=O)[O-])=N1 ALBB-010055 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.35 CC1=NC(C(=O)Cl)=CO1 ALBB-028783 [0,1,0,0,1,0|2,0,0]=4 55 B9R1.35 CC1=NOC(C(=O)O)=C1 ALBB-009979 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.35 CN1C=C(C(=O)Cl)C=N1 ALBB-009190 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.35 CN1C=CC(C(=O)Cl)=N1 ALBB-009207 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.35 CN1C=NC(C(N)=O)=C1 ALBB-033875 [0,1,0,0,1,0|1,0,0]=3 59 B9R1.35 CN1C=NC(C(N)=O)=N1 ALBB-035181 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.35 NC(=O)C1=CC=C(Br)O1 ALBB-010192 [0,1,0,0,1,0|1,0,0]=3 61 B9R1.35 NC(=O)C1=NC(Br)=NN1 ALBB-014201 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.35 NC1=NC(C(=O)O)=CS1 ALBB-012475 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 ALBB-011326 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.35 O=C(O)C1=CC(Cl)=NO1 ALBB-014179 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.41 CC(=O)C1=C(C)N=CS1 ALBB-022346 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.41 CC(=O)C1=C(C)NN=C1 ALBB-018077 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.41 CC(=O)C1=CC=NN1C ALBB-003695 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.41 CC(=O)C1=NC=CN1C ALBB-011813 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,1,0,0,1,0|1,0,1]=4 70 B9R1.41 CC1=C(C(=O)O)N=CO1 ALBB-022765 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.41 CC1=C(C(=O)O)N=CS1 ALBB-022320 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.41 CN1N=CC=C1C(=O)Cl ALBB-009206 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.41 CN1N=CC=C1C(N)=O ALBB-016314 [0,1,0,0,1,0|1,0,0]=3 74 B9R1.41 NC(=O)C1=C(Br)C=NN1 ALBB-013426 [0,1,0,0,1,0|1,0,0]=3 75 B9R1.41 NC(=O)C1=C(Cl)C=NN1 ALBB-013433 [0,1,0,0,1,0|1,0,0]=3 76 B9R1.41 NC(=O)C1=C(N)C=NN1 ALBB-013991 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.41 NC1=C(C(=O)O)NN=C1 ALBB-014000 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.41 NC1=CSN=C1C(=O)O ALBB-008116 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.41 O=C(O)C1=C(Br)C=NN1 ALBB-003736 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.41 O=C(O)C1=C(Cl)C=NN1 ALBB-013432 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 ALBB-012877 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.40 CC(CN)OC1=CC=CN=C1 ALBB-010790 [0,1,0,0,0,1|1,0,1]=4 83 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ALBB-011957 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.40 O=C(CCl)NC1=NC=CN=C1 ALBB-002387 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.86 O=C(O)CN1C=CC=NC1=O ALBB-005387 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 ALBB-013748 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 ALBB-032746 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 ALBB-034163 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 ALBB-036361 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.3 NCC1=CC=C(C(=O)O)C=N1 ALBB-032727 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 ALBB-016433 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br ALBB-019160 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ALBB-019900 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.22 O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 ALBB-017210 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 ALBB-004236 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 ALBB-022383 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.23 N\C(=N\O)C1=CC(F)=CC=C1 ALBB-019858 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,2,0,0,0,0|0,0,0]=2 105 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.222 N\C(=C/O)C1=NC=CN=C1Cl ALBB-026491 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 ALBB-016410 [0,2,0,0,0,0|0,0,1]=3 108 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 ALBB-027953 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.266 O=CC1=CC(C(=O)Cl)=CC=C1 ALBB-028829 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.13 NC(=O)CC1=CSC=N1 ALBB-018574 [0,0,1,1,0,0|1,0,1]=4 115 B11R2.10 CC1=NC2=CC=CN=C2N1 ALBB-013589 [0,0,0,1,0,1|1,0,0]=3 116 B11R2.10 CC1=NC2=CN=CC=C2N1 ALBB-030046 [0,0,0,1,0,1|1,0,0]=3 117 B11R2.10 NC1=NC2=CC=CC=C2O1 ALBB-005881 [0,0,0,1,0,1|1,0,1]=4 118 B11R2.10 NC1=NC2=NC=CC=C2O1 ALBB-025518 [0,0,0,1,0,1|1,0,0]=3 119 B11R2.10 SC1=NC2=CC=CN=C2O1 ALBB-018181 [0,0,0,1,0,1|1,0,1]=4 120 B11R2.1 BrC1=NNC2=NC=CC=C12 ALBB-022845 [0,1,0,1,0,0|1,0,0]=3 121 B11R2.1 NC1=NNC2=NC=CC=C12 ALBB-004826 [0,1,0,1,0,0|1,0,0]=3 122 B11R2.1 NC1=NOC2=C1N=CC=N2 ALBB-026490 [0,1,0,1,0,0|1,0,1]=4 123 B11R2.1 NC1=NOC2=NC=CC=C12 ALBB-008891 [0,1,0,1,0,0|0,0,1]=3 124 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,0,0,0,1,0|1,0,1]=4 125 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,0,0,0,1,0|1,0,1]=4 126 B7R1.1 NCC1=CSC=N1 ALBB-004672 [1,0,0,0,1,0|1,0,1]=4 127 B7R1.1 NCC1=CSC=N1 ALBB-004672 [1,0,0,0,1,0|1,0,1]=4 128 B7R1.1 NCC1=NC=CN1 ALBB-008641 [1,0,0,0,1,0|1,0,1]=4 129 B7R1.1 NCC1=NC=CN1 ALBB-008641 [1,0,0,0,1,0|1,0,1]=4 130 B7R1.1 O=CC1=CN=CS1 ALBB-015207 [1,0,0,0,1,0|1,0,0]=3 131 B7R1.1 O=CC1=CNN=C1 ALBB-016378 [1,0,0,0,1,0|1,0,0]=3 132 B7R1.1 O=CC1=NC=NN1 ALBB-030493 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,0,0,0,0,2|2,0,0]=4 134 B11R1.91 O=C(O)CCC1=NC=CN=C1 ALBB-031809 [0,0,0,0,0,2|2,0,0]=4 135 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 ALBB-026311 [0,0,0,0,0,2|2,0,0]=4