0 B8R1.1 CC1=CC=C(C#N)O1 ALBB-016420 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CC1=CC=C(CN)O1 ALBB-005350 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 CC1=NC(CCl)=CS1 ALBB-026987 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CN1C=CC(C#N)=N1 ALBB-013983 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 COC1=NC(C)=CS1 ALBB-030276 [0,0,0,0,0,0|2,1,0]=3 10 B8R1.1 COC1=NN=C(C)S1 ALBB-030301 [0,0,0,0,0,0|2,2,0]=4 11 B8R1.1 CSC1=NNC(N)=N1 ALBB-018487 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CSC1=NSC(N)=N1 ALBB-010195 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 O=CC1=CC=C(Br)O1 ALBB-004687 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 CCN1C=CC=N1 ALBB-004429 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 BrC1=CC=C(Br)O1 ALBB-017947 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 CC1=CC(C)=NO1 ALBB-031011 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=CN=C(Br)S1 ALBB-027699 [1,0,0,0,0,0|2,1,0]=4 18 B7R1.2 CC1=CNC(C)=N1 ALBB-028805 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=CSC(N)=N1 ALBB-017777 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 CC1=CSC(N)=N1 ALBB-017777 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CC1=NN=C(N)O1 ALBB-003804 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 CC1=NN=C(S)O1 ALBB-013475 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.2 CC1=NNC(S)=N1 ALBB-014802 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.7 CC1=CC=C(\C=N/O)O1 ALBB-032265 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.7 CC1=CSC(CCN)=N1 ALBB-031513 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.7 CNCC1=CC=C(C)S1 ALBB-015180 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.21 CCC1=NC(CCl)=CS1 ALBB-028809 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.21 CNC1=NC(CCl)=CS1 ALBB-012944 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.23 CCN1C=C(Br)C(C)=N1 ALBB-004446 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.23 CCN1C=C(I)C(C)=N1 ALBB-013416 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.35 CC(N)C1=CC=C(Cl)S1 ALBB-000032 [0,1,0,0,0,0|2,1,0]=4 35 B9R1.35 CC1=CC=C(C(=O)Cl)O1 ALBB-028818 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC1=CC=C(C(=O)Cl)S1 ALBB-011191 [0,1,0,0,0,0|2,1,0]=4 37 B9R1.35 CC1=CC=C(C(=O)O)O1 ALBB-026656 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.35 CC1=CC=C(C(=O)O)S1 ALBB-000788 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.35 CC1=NN(C(C)C)C=C1 ALBB-016302 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.132 CC1=CC=C(C#N)N1C ALBB-021278 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.132 CC1=CC=C(CN)N1C ALBB-025062 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.132 CC1=CC=C(CN)N1C ALBB-025062 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 CC1=CC=C(CO)C=N1 ALBB-030074 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.2 CC1=CC(C#N)=CN=C1 ALBB-025749 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.2 CC1=CC(NN)=NC=C1 ALBB-011830 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.2 CC1=CC=CC(CN)=C1 ALBB-005972 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.2 CCC1=CC(O)=CC=C1 ALBB-026446 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.2 CSC1=NC(C)=CC=N1 ALBB-016147 [0,0,0,0,0,1|1,0,0]=2 49 B9R1.2 CSC1=NC(Cl)=CC=N1 ALBB-031863 [0,0,0,0,0,1|2,0,0]=3 50 B9R1.2 CSC1=NC(N)=NC=N1 ALBB-008401 [0,0,0,0,0,1|3,0,0]=4 51 B6R1.2 CC1=CC=NN1 ALBB-006081 [2,0,0,0,0,0|2,0,0]=4 52 B6R1.2 CN1C=CC=N1 ALBB-004426 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.7 CC(N)C1=CC=CO1 ALBB-005423 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|1,1,0]=4 55 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|1,1,0]=4 56 B8R1.7 N=C(N)C1=CC=CO1 ALBB-008866 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [1,1,0,0,0,0|1,1,0]=4 58 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [1,1,0,0,0,0|1,1,0]=4 59 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [1,1,0,0,0,0|1,0,0]=3 61 B8R1.18 CC1=CC(C)=NN1C ALBB-004448 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.18 CC1=NN(C)C(N)=C1 ALBB-020830 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.18 CC1=NN(C)C(O)=C1 ALBB-023342 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.18 CC1=NN(C)C=C1Br ALBB-003675 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.18 CC1=NN(C)C=C1I ALBB-013414 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 CCNC1=CC=C(C)C=C1 ALBB-020221 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.1 CCNC1=CC=C(C)C=C1 ALBB-020221 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.1 CCSC1=CC=C(N)C=C1 ALBB-023460 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.1 CNCC1=CC=C(C)C=C1 ALBB-027040 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.3 CNC1=CC=C(OC)C=C1 ALBB-025697 [0,1,0,0,0,1|1,1,0]=4 71 B10R1.3 CSC1=CC=C(CN)C=C1 ALBB-005369 [0,1,0,0,0,1|1,0,0]=3 72 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.13 CC1=CC=C(C(C)N)C=C1 ALBB-001514 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.25 COC1=CC=C(C)N=C1Br ALBB-022782 [0,1,0,0,0,1|1,1,0]=4 75 B10R1.176 COC1=CC(Br)=C(C)C=C1 ALBB-035106 [0,1,0,0,0,1|1,1,0]=4 76 B10R1.8 CSC1=NC(C)=CC(=O)N1 ALBB-028090 [0,1,0,0,0,1|1,0,0]=3 77 B10R1.8 CSC1=NC(N)=NC(C)=N1 ALBB-017398 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.10 CCNC1=CC(C)=CC=C1 ALBB-020271 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.113 CC1=CC(C(C)N)=NC=C1 ALBB-011827 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 CC1=CC=CC(C(C)N)=C1 ALBB-002189 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.14 CC1=CC=C(C(=O)NN)O1 ALBB-026658 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.14 CCC(=O)C1=CC=C(C)S1 ALBB-002874 [0,2,0,0,0,0|1,1,0]=4 83 B10R1.14 CNC(C)C1=CC=C(C)S1 ALBB-015181 [0,2,0,0,0,0|1,1,0]=4 84 B10R1.14 COC(=O)C1=CC=C(Br)O1 ALBB-005478 [0,2,0,0,0,0|1,1,0]=4 85 B10R1.14 COC(=O)C1=CC=C(C)O1 ALBB-026666 [0,2,0,0,0,0|0,1,0]=3 86 B10R1.14 COC(=O)C1=CC=C(C)S1 ALBB-017974 [0,2,0,0,0,0|0,2,0]=4 87 B10R1.16 CCNCC1=CC=C(C)O1 ALBB-015267 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.31 O=C(O)C1=CC=C(CO)O1 ALBB-004523 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.258 CSC1=NC=C(CN)N1C ALBB-029793 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.3 CC1=CC=C(O)N=N1 ALBB-012104 [0,0,1,1,0,0|2,0,0]=4