0 B12R1.107 CC(SC(=N)N)C1=CC=CC=C1 ALBB-023158 [0,0,0,0,0,0|2,1,0]=3 1 B12R1.107 C\C(N)=N/C(=O)C1=CC=CC=C1 ALBB-034818 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 ALBB-022307 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ALBB-018652 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 ALBB-006651 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 ALBB-006651 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.16 CC(N=C=O)C1=CC=CC=C1 ALBB-014445 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.16 CNCC(O)C1=CC=CC=C1 ALBB-031903 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 CC(C)NCC1=CC=CC=C1 ALBB-005976 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 N=C(N)SCC1=CC=CC=C1 ALBB-019676 [1,0,0,0,0,0|2,1,0]=4 13 B11R1.91 O=C(O)C#CC1=CC=CC=C1 ALBB-000973 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.91 O=C(O)CCC1=NC=CC=C1 ALBB-000157 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 O=C(O)CNC1=CC=CC=C1 ALBB-000236 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 ALBB-010542 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 ALBB-002318 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 ALBB-030053 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.11 O=C(CCl)NC(=O)C1=CC=CC=C1 ALBB-023338 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 ALBB-014032 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 ALBB-007487 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 ALBB-006624 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 ALBB-006623 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 ALBB-006640 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 ALBB-007468 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.147 CC(=O)NC(C)C1=CC=CC(N)=C1 ALBB-010345 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.147 CC1=CC(C(N)CC(=O)O)=CC=C1 ALBB-007549 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 ALBB-006681 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 ALBB-007545 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 ALBB-007546 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 ALBB-006714 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 ALBB-009506 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 ALBB-006730 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 ALBB-007548 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl ALBB-006688 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 ALBB-031673 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.347 CC(N)CC(C)(C)C1=CC=CC=C1 ALBB-027065 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.713 CC(=O)OC(C#N)C1=CC=CN=C1 ALBB-016290 [0,1,0,0,0,0|1,0,1]=3 39 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 ALBB-022462 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 ALBB-022462 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.10 CC1=NN=C(C2=CC=CC=C2)O1 ALBB-033789 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 ALBB-006563 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 ALBB-010492 [0,0,0,1,0,0|2,0,0]=3 44 B11R1.36 CC(C)C(N)C1=CC=CC=C1 ALBB-027100 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.36 CC(C)C(N)C1=CC=CC=C1 ALBB-027100 [0,0,0,0,1,0|2,0,1]=4 46 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 ALBB-019794 [0,0,0,0,1,0|2,0,0]=3 47 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 ALBB-027395 [0,0,0,0,0,1|3,0,0]=4 48 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 ALBB-036268 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.15 CCC(N)C1=CC=CC=C1 ALBB-001474 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.15 CNC(C)C1=CC=CC=C1 ALBB-016485 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.15 COC(=N)C1=CC=CC=C1 ALBB-033150 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 ALBB-026141 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 ALBB-029466 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.27 NNC(=O)CCC1=CC=CC=C1 ALBB-001043 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 ALBB-002313 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.125 CC(=O)C#CC1=CC=CC=C1C ALBB-029861 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.125 CC(=O)COC1=C(Cl)C=CC=C1 ALBB-035766 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 ALBB-023257 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 ALBB-014710 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 ALBB-017137 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 ALBB-026162 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.20 CC(C1=CC=C(Br)C=C1)N(C)C ALBB-005434 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 ALBB-026583 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 ALBB-016006 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 ALBB-023531 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 ALBB-023513 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 ALBB-024878 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 ALBB-024878 [0,1,0,0,1,0|1,0,0]=3 72 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 ALBB-023308 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.743 CC(CC1=CC=CC=C1)NC(=O)CN ALBB-032311 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.10 CC(NC(=O)CCl)C1=CC=C(Br)C=C1 ALBB-026038 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 ALBB-008510 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 ALBB-016616 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 ALBB-033205 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.29 CCOC(=O)\C=C(\C)C1=CC=CC=C1 ALBB-032759 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.85 C=C(C(=O)OC)C(O)C1=CC=CC=C1 ALBB-031007 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 ALBB-014712 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.2 C1=CC=C(C2CCNC2)C=C1 ALBB-017869 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2 C1=CC=C(C2CCNC2)C=C1 ALBB-017869 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 ALBB-016288 [0,0,0,1,0,1|1,0,0]=3 84 B14R2.2950 CC1(C2=CC=CC=C2)OC(=O)CS1 ALBB-036342 [0,0,0,1,0,1|1,1,0]=4 85 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 ALBB-013246 [0,0,0,1,0,1|2,0,0]=4 86 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 ALBB-013335 [0,0,0,1,0,1|2,0,0]=4 87 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 ALBB-017639 [0,0,0,1,0,1|2,0,0]=4 88 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 ALBB-002488 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)O1 ALBB-035547 [0,1,0,1,0,0|0,0,0]=2 90 B14R2.4514 CN1C(=O)CCN1C2=CC=CC=C2 ALBB-033386 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 CC(=O)CC1=NC=CC=C1 ALBB-014921 [1,0,0,0,1,0|1,0,0]=3 92 B10R1.18 CC(=O)NC1=CC=CN=C1 ALBB-017764 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.18 CC(=O)OC1=CC=CN=C1 ALBB-021947 [1,0,0,0,1,0|1,0,0]=3 94 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [1,0,0,0,1,0|1,1,0]=4 95 B10R1.18 O=C(O)CC1=CC=CN=C1 ALBB-033044 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.23 CC(C(=O)O)N1C=CC=C1 ALBB-016394 [0,0,0,0,2,0|2,0,0]=4 97 B12R1.252 O=C(O)CCSC1=CC=CC=C1 ALBB-009427 [1,0,0,0,0,1|2,0,0]=4 98 B12R1.252 O=C(O)CSCC1=CC=CC=C1 ALBB-009416 [1,0,0,0,0,1|1,1,0]=4