0 B7R1.2 CC1=CC=C(N)S1 ALBB-009273 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=CN(C)C=N1 ALBB-032097 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=NC(Br)=NO1 ALBB-016423 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=NC(Cl)=NN1 ALBB-012369 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 CC1=NC(Cl)=NO1 ALBB-018604 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=NC(N)=NO1 ALBB-014791 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=NN=C(Cl)S1 ALBB-017815 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1=NN=C(O)O1 ALBB-013469 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=NN=C(O)S1 ALBB-016548 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=NNC(C)=N1 ALBB-013539 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.2 CC1=NOC(=O)N1 ALBB-032735 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=NOC(Br)=N1 ALBB-030720 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.2 CC1=NOC(N)=N1 ALBB-013551 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1CNC(=O)O1 ALBB-022254 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CN1C=C(Cl)C=N1 ALBB-004427 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CN1C=C(N)C=N1 ALBB-012025 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CN1C=C(N)C=N1 ALBB-012025 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 NC1=CC(O)=NO1 ALBB-022834 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 O=C1CNC(=O)C1 ALBB-030115 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.2 O=C1NC(=S)CS1 ALBB-028937 [0,0,0,0,0,0|2,2,0]=4 20 B6R1.2 BrC1=CC=NN1 ALBB-022824 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 NC1=NOC=N1 ALBB-027698 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 O=C1NC=CN1 ALBB-023528 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=CC(C=O)=NN1 ALBB-000096 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.1 CC1=CC(CN)=NO1 ALBB-000275 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.1 CC1=CC(CN)=NO1 ALBB-000275 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.1 CC1=CN=C(C=O)S1 ALBB-015210 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=CNC(C=O)=N1 ALBB-011815 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 CC1=NC(CBr)=NO1 ALBB-022329 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CC1=NC(CCl)=NO1 ALBB-018592 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.1 CC1=NC(CN)=NO1 ALBB-005678 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 CC1=NC(CO)=NO1 ALBB-014792 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.1 CC1=NNC(CCl)=C1 ALBB-032860 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.1 CC1=NNC(CO)=C1 ALBB-012529 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.1 CC1=NOC(C#N)=C1 ALBB-013980 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.1 CC1=NOC(CCl)=C1 ALBB-009858 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.1 CC1=NOC(CN)=C1 ALBB-009856 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.1 CC1=NOC(CN)=C1 ALBB-009856 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.1 CC1=NOC(CN)=N1 ALBB-010130 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=NOC(CO)=N1 ALBB-017820 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.1 CCC1=CC(O)=NN1 ALBB-016424 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.1 CCC1=NC(Br)=NO1 ALBB-036373 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 CCC1=NNC(C)=C1 ALBB-028825 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 CNC1=NOC(C)=N1 ALBB-032450 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.1 O=C1CCC(CBr)O1 ALBB-027787 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 O=C1CCC(CCl)O1 ALBB-014758 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.1 O=CC1=CSC(Br)=C1 ALBB-027002 [0,1,0,0,0,0|1,1,1]=4 47 B8R1.18 CC1=CC(N)=NN1C ALBB-012534 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.18 CC1SC(N)=NC1=O ALBB-016994 [0,1,0,0,0,0|2,1,0]=4 49 B8R1.50 CC1=C(Br)C(Br)=NN1 ALBB-027975 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.50 CC1=C(Br)C(O)=NO1 ALBB-022608 [0,1,0,0,0,0|1,0,1]=3 51 B8R1.50 CC1=NNC(C)=C1C ALBB-004482 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.50 CC1=NNC(O)=C1C ALBB-016441 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.50 CN1C(=O)CNC1=O ALBB-028096 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.50 NN1C(=O)CSC1=S ALBB-012748 [0,1,0,0,0,0|2,1,0]=4 55 B8R1.51 CC1(C)CC(=O)CO1 ALBB-030532 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.2 NC(=O)CC(=O)O ALBB-009535 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.4 CNCCC(=O)O ALBB-013461 [0,0,1,0,0,0|3,0,0]=4 58 B6R0.4 COCCC(C)=O ALBB-027646 [0,0,1,0,0,0|2,0,1]=4 59 B8R1.3 CC1=CN=C(N)N=C1 ALBB-017831 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.3 CC1=CN=C(O)N=C1 ALBB-017833 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.3 CC1=NC=C(Br)C=N1 ALBB-018049 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.4 CC1CCCC(=O)N1 ALBB-028844 [0,0,0,0,0,1|2,0,1]=4 63 B5R0.1 COCC(N)=S ALBB-031235 [1,0,1,0,0,0|1,1,0]=4 64 B5R0.3 CNC(=O)CBr ALBB-012802 [1,0,1,0,0,0|2,0,0]=4 65 B7R1.1 CCC1=NNC=C1 ALBB-016439 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,1,0,0,0,0|2,0,0]=4 67 B7R1.1 NCC1=CC=NN1 ALBB-018304 [1,1,0,0,0,0|2,0,0]=4 68 B7R1.1 OCC1=NC=NO1 ALBB-031523 [1,1,0,0,0,0|2,0,0]=4 69 B7R1.4 CC1=C(Cl)C=NN1 ALBB-013417 [1,1,0,0,0,0|2,0,0]=4 70 B7R1.4 CC1=CNNC1=O ALBB-030475 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.1 CC1=CN=C(C=O)C=N1 ALBB-027969 [0,1,0,0,0,1|1,0,1]=4 72 B9R1.69 CC1=CC(=O)C(O)=CO1 ALBB-035191 [0,1,0,0,0,1|0,0,2]=4 73 B9R1.34 CC1CC(=O)C=C(N)C1 ALBB-030367 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.66 CC1(C)COCC(=O)N1 ALBB-013323 [0,1,0,0,0,1|1,0,1]=4 75 B9R1.21 CCC1=NOC(CCl)=C1 ALBB-009861 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.21 CCC1=NOC(CN)=C1 ALBB-009799 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.21 CCC1=NOC(CO)=C1 ALBB-009846 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.22 CC1=CC(CO)=C(C)O1 ALBB-016285 [0,2,0,0,0,0|0,0,2]=4 79 B9R1.22 CC1=NN(C)C(C=O)=C1 ALBB-021538 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.35 CC1=CC(C(=O)Cl)=CS1 ALBB-011311 [0,2,0,0,0,0|0,1,1]=4 81 B9R1.35 CC1=CC(C(=O)O)=CS1 ALBB-000918 [0,2,0,0,0,0|0,1,1]=4 82 B9R1.35 CC1=NC(C(=O)Cl)=CO1 ALBB-028783 [0,2,0,0,0,0|1,0,1]=4 83 B9R1.35 CC1=NC(C(=O)[O-])=NO1 ALBB-034860 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.35 CC1=NOC(C(=O)O)=C1 ALBB-009979 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.132 CC1=CNC(C=O)=C1C ALBB-021009 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.132 CC1=NNC(C=O)=C1Br ALBB-014794 [0,2,0,0,0,0|2,0,0]=4