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|3,0,0]=3 2 B10R1.13 NC(=O)C1=CC=C(N)N=C1 ALBB-025399 [0,1,0,0,0,0|2,0,0]=3 3 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 ALBB-019968 [0,1,0,0,0,0|3,0,0]=4 4 B10R1.15 CC(NN)C1=CC=CN=C1 ALBB-018062 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.15 CC(NN)C1=CC=NC=C1 ALBB-018061 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.61 CC1=NC=NC=C1C(=O)O ALBB-013014 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.61 CN(C)C1=C(N)C=NC=C1 ALBB-010447 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.61 N=C(N)C1=CC=CNC1=O ALBB-010782 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.113 CC(N)C1=CC=CC(O)=C1 ALBB-019157 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.113 CN(C)C1=NC=CC(N)=C1 ALBB-032733 [0,1,0,0,0,0|3,0,0]=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 NC(=O)C1=CNN=C1 ALBB-016381 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.7 O=C(Cl)C1=CC=NN1 ALBB-030529 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.7 O=C(Cl)C1=CNN=C1 ALBB-036412 [0,0,0,0,1,0|3,0,0]=4 16 B8R1.7 O=C(O)C1=CNN=C1 ALBB-000146 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.7 O=C(O)C1=NOC=C1 ALBB-021710 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.18 CC(=O)CC1=NC=CN=C1 ALBB-018085 [0,0,0,0,0,1|2,0,0]=3 19 B10R1.18 N=C(N)CC1=CC=CC=C1 ALBB-033340 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.18 N=C(N)CC1=CC=CN=C1 ALBB-004984 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.1 CC1=CN=C(C=O)C=N1 ALBB-027969 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.2 C=CC1=CC(O)=CC=C1 ALBB-026649 [1,1,0,0,0,0|0,0,1]=3 23 B9R1.8 CCNC1=CC=CN=C1 ALBB-028026 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.15 CSC1=NC=CC=C1N ALBB-025504 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.11 CCC(=O)C1=NC=CS1 ALBB-015272 [0,1,0,0,1,0|2,0,0]=4 26 B9R1.11 COC(=O)C1=CC=NO1 ALBB-027244 [0,1,0,0,1,0|2,0,0]=4 27 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.11 COC(=O)C1=CNN=C1 ALBB-016380 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.11 NCC(=O)C1=CSC=C1 ALBB-028035 [0,1,0,0,1,0|1,0,0]=3 30 B9R1.35 CC(=O)C1=CN=C(N)O1 ALBB-025486 [0,1,0,0,1,0|2,0,0]=4 31 B9R1.35 CC(=O)C1=CSC(C)=N1 ALBB-015201 [0,1,0,0,1,0|2,0,0]=4 32 B9R1.35 CC(=O)C1=NC(C)=CN1 ALBB-026369 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,1,0,0,1,0|2,0,0]=4 34 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,1,0,0,1,0|2,0,0]=4 35 B9R1.35 NC(=O)C1=CC=C(Br)O1 ALBB-010192 [0,1,0,0,1,0|2,0,0]=4 36 B9R1.35 O=C(Cl)C1=CC(Br)=CS1 ALBB-011326 [0,1,0,0,1,0|2,0,0]=4 37 B9R1.41 CC(=O)C1=C(C)N=CS1 ALBB-022346 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.41 CC(=O)C1=C(C)NN=C1 ALBB-018077 [0,1,0,0,1,0|2,0,0]=4 39 B9R1.41 CC(=O)C1=CC=NN1C ALBB-003695 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.41 CC(=O)C1=NC=CN1C ALBB-011813 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.41 CC1=C(C(=O)O)C=CN1 ALBB-018078 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 ALBB-010764 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 ALBB-012877 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ALBB-011957 [0,1,0,0,0,1|0,0,0]=2 45 B11R1.40 O=C(CCl)NC1=NC=CC=N1 ALBB-016353 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.40 O=C(CCl)NC1=NC=CN=C1 ALBB-002387 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.86 CC(=O)NC1=CC=CN=C1Cl ALBB-003552 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.157 CN(C)CC1=CC(S)=CC=C1 ALBB-015299 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 ALBB-013748 [0,2,0,0,0,0|0,0,0]=2 50 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 ALBB-032746 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 ALBB-036361 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.3 NCC1=CC=C(C(=O)O)C=N1 ALBB-032727 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 ALBB-016433 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br ALBB-019160 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.21 CN1C=CC(C(=O)O)=CC1=O ALBB-025033 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.22 NC(CO)C1=CC=C(F)C=C1 ALBB-013455 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 ALBB-028043 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ALBB-019900 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.22 O=C(NO)C1=CC=C(F)C=C1 ALBB-033760 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 ALBB-025270 [0,2,0,0,0,0|0,0,1]=3 61 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.166 CC(=O)C1=CNC(=O)N=C1C ALBB-013380 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.166 CN(C)C1=CC=C(Br)C=C1N ALBB-005875 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 ALBB-013779 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 ALBB-004236 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 ALBB-022383 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.23 N\C(=N\O)C1=CC(F)=CC=C1 ALBB-019858 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.222 CNC(=O)C1=CC=CN=C1Cl ALBB-011986 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=N)C1=CC=CNC1=O ALBB-010781 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=C(O)N=CN=C1 ALBB-017425 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 ALBB-021320 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 ALBB-012876 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 ALBB-013462 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.159 CN1C=CC=C(C(=O)O)C1=O ALBB-012329 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 ALBB-019497 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 ALBB-018721 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 ALBB-027953 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.266 O=CC1=CC(C(=O)Cl)=CC=C1 ALBB-028829 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.13 CC(=O)CC1=CC=CS1 ALBB-016451 [0,0,1,1,0,0|1,0,1]=4 80 B11R2.10 CC1=NC2=CC=CN=C2N1 ALBB-013589 [0,0,0,1,0,1|2,0,0]=4 81 B11R2.10 CC1=NC2=CN=CC=C2N1 ALBB-030046 [0,0,0,1,0,1|2,0,0]=4 82 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 ALBB-021333 [0,0,0,1,0,1|1,0,1]=4 83 B11R2.10 NC1=NC2=CC=CC=C2O1 ALBB-005881 [0,0,0,1,0,1|1,0,1]=4 84 B7R1.1 O=CC1=CN=CS1 ALBB-015207 [1,0,0,0,1,0|2,0,0]=4 85 B7R1.1 O=CC1=CNN=C1 ALBB-016378 [1,0,0,0,1,0|2,0,0]=4 86 B11R1.91 CC(N)COC1=CC=CC=C1 ALBB-027081 [0,0,0,0,0,2|1,0,1]=4 87 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 ALBB-017778 [0,0,0,0,0,2|1,0,1]=4 88 B11R1.91 N=C(N)CCC1=CC=CC=C1 ALBB-016699 [0,0,0,0,0,2|2,0,0]=4