0 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl ALBB-023906 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=NC2=CC=CC=C2NC1=O ALBB-020076 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.369 CC1NC2=CC=CC=C2NC1=O ALBB-031489 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 CC1OC2=CC=CC=C2NC1=O ALBB-024345 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 NC1=CC2=CC=CC=C2C=C1O ALBB-014252 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.369 O=C1NC2=CC=CC=C2OC1=O ALBB-016477 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 ALBB-025860 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.24 FC1=CC2=CC=CC=C2C=C1 ALBB-035360 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 NC1=CC2=CC=CC=C2N=C1 ALBB-008921 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.24 NC1=CC=C2N=CC=CC2=C1 ALBB-014510 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 O=C1C=NC2=CC=CC=C2N1 ALBB-024162 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.24 O=C1CNC2=CC=CC=C2N1 ALBB-006577 [1,0,0,0,0,0|1,0,1]=3 12 B12R2.24 O=C1COC2=CC=CC=C2N1 ALBB-020505 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.24 O=C1CSC2=NC=CC=C2N1 ALBB-033925 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 ALBB-021965 [1,0,0,0,0,0|0,0,1]=2 15 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 ALBB-021973 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.639 CC1(C)NC2=CC=CC=C2NC1=O ALBB-010340 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.1128 NNC1=NC2=CC=CC=C2N=C1O ALBB-012147 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 ALBB-021232 [0,1,0,0,0,0|1,0,2]=4 19 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 ALBB-025407 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O ALBB-019528 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.8188 NN1C(=O)C2=CC=CC=C2NC1=S ALBB-013066 [0,1,0,0,0,0|2,1,0]=4 22 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 ALBB-024742 [0,1,0,0,0,0|1,0,1]=3 23 B14R2.8239 CC1OC2=CC=C(Cl)C=C2NC1=O ALBB-034098 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 ALBB-023362 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 ALBB-002342 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O ALBB-033299 [0,0,1,0,0,0|2,0,1]=4 27 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O ALBB-025649 [0,0,1,0,0,0|2,0,0]=3 28 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,0,1,0,0,0|1,0,2]=4 29 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 ALBB-009501 [0,0,1,0,0,0|1,0,0]=2 31 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 ALBB-010529 [0,0,1,0,0,0|1,0,2]=4 32 B12R1.371 CC1=CC=CC=C1NC(=O)CCl ALBB-002260 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.371 NNC(=O)NC1=C(O)C=CC=C1 ALBB-033792 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.371 O=C(CBr)NC1=C(Cl)C=CC=C1 ALBB-010555 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.371 O=C(CBr)NC1=CC=CC=C1F ALBB-031587 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br ALBB-002399 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl ALBB-002252 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.371 O=C(CCl)NC1=CC=CC=C1F ALBB-002251 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.371 O=C(CCl)NC1=CC=CC=C1I ALBB-019143 [0,0,1,0,0,0|2,0,1]=4 40 B12R1.371 O=C(CCl)NC1=CC=CC=C1O ALBB-024846 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.371 O=C(CS)NC1=C(Cl)C=CC=C1 ALBB-017014 [0,0,1,0,0,0|1,1,1]=4 42 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 ALBB-017639 [0,0,0,0,0,1|2,0,1]=4 43 B14R2.741 CC1CNC2=CC=CC=C2NC1=O ALBB-017638 [0,0,0,0,0,1|1,0,2]=4 44 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br ALBB-029081 [0,0,0,0,0,1|1,0,2]=4 45 B11R1.40 NCC(=O)NC1=CC=CC=C1 ALBB-032235 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.40 NNC(=O)NC1=CC=CC=C1 ALBB-002786 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ALBB-002246 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.40 O=C(CS)NC1=CC=CC=C1 ALBB-017010 [1,0,1,0,0,0|0,1,1]=4 50 B11R1.91 O=C(O)CNC1=CC=CC=C1 ALBB-000236 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ALBB-014123 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 ALBB-007463 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 ALBB-006008 [1,0,1,0,0,0|1,0,1]=4 54 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 ALBB-009514 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 ALBB-009509 [0,1,1,0,0,0|1,0,0]=3 56 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 ALBB-009522 [0,1,1,0,0,0|1,0,0]=3 57 B13R1.148 O=C(O)C(=O)NC1=CC(F)=CC=C1 ALBB-009505 [0,1,1,0,0,0|1,0,0]=3 58 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 ALBB-009506 [0,1,1,0,0,0|1,0,0]=3 59 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 ALBB-009526 [0,1,1,0,0,0|1,0,0]=3 60 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 ALBB-009520 [0,1,1,0,0,0|1,0,0]=3 61 B13R1.202 O=C(O)C(=O)NC1=C(F)C=CC=C1 ALBB-009499 [0,1,1,0,0,0|1,0,0]=3 62 B13R1.470 CC1=C(NC(=O)\C=N\O)C=CC=C1 ALBB-014683 [0,1,1,0,0,0|0,0,1]=3 63 B13R1.470 O=C(\C=N\O)NC1=C(Cl)C=CC=C1 ALBB-014435 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.470 O=C(\C=N\O)NC1=C(F)C=CC=C1 ALBB-013459 [0,1,1,0,0,0|1,0,0]=3 65 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 ALBB-026425 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 ALBB-032305 [1,1,0,0,0,0|0,0,0]=2 67 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 ALBB-025726 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.32 O=C1C(Br)=CSC2=CC=CC=C12 ALBB-034433 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 ALBB-025035 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 ALBB-013807 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 ALBB-026370 [1,1,0,0,0,0|0,0,2]=4 72 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 ALBB-008101 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 ALBB-021283 [1,1,0,0,0,0|0,0,1]=3 74 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 ALBB-000098 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 ALBB-011840 [1,1,0,0,0,0|0,0,1]=3 76 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 ALBB-011846 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 ALBB-023570 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 ALBB-024368 [1,1,0,0,0,0|1,0,1]=4 79 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 ALBB-027739 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.162 NC1=NC2=C(C=CC=C2O)C=C1 ALBB-021953 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 ALBB-021966 [1,1,0,0,0,0|0,0,0]=2 82 B13R2.162 OC1=CC=CC2=C1N=C(Cl)C=C2 ALBB-021957 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 ALBB-031604 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 ALBB-026701 [1,1,0,0,0,0|0,0,2]=4 85 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 ALBB-019949 [1,1,0,0,0,0|1,0,1]=4 86 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 ALBB-019949 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 ALBB-019943 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 ALBB-006386 [1,1,0,0,0,0|0,0,0]=2 89 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 ALBB-023916 [1,1,0,0,0,0|1,0,1]=4 90 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 ALBB-026182 [1,1,0,0,0,0|0,0,2]=4 91 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 ALBB-025533 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 ALBB-023917 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 ALBB-024711 [1,1,0,0,0,0|0,0,2]=4 94 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 ALBB-013849 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 ALBB-027977 [0,1,0,0,1,0|2,0,0]=4 96 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 ALBB-025147 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.135 CC1=C(C#N)C2=CC=CC=C2N1 ALBB-035515 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 ALBB-000205 [0,1,0,0,1,0|1,0,1]=4 99 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 ALBB-016286 [0,1,0,0,1,0|2,0,0]=4 100 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 ALBB-032084 [0,1,0,0,1,0|1,0,0]=3 101 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O ALBB-006595 [0,1,0,0,1,0|0,0,0]=2 102 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 ALBB-011784 [0,1,0,0,1,0|0,0,2]=4 103 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 ALBB-018374 [0,1,0,0,1,0|1,0,1]=4 104 B13R2.359 O=C1NC2=CC=CC=C2C1(Cl)Cl ALBB-016907 [0,1,0,0,1,0|1,0,1]=4 105 B13R2.3028 CC1=C(C)C2=CC(Br)=CC=C2N1 ALBB-030056 [0,1,0,0,1,0|2,0,0]=4 106 B13R2.3028 CC1=C(C)C2=CC(F)=CC=C2N1 ALBB-030055 [0,1,0,0,1,0|2,0,0]=4 107 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 ALBB-014097 [0,1,0,0,1,0|0,0,1]=3 108 B13R2.3028 NC1C(=O)NC2=CC=C(F)C=C21 ALBB-022603 [0,1,0,0,1,0|1,0,1]=4 109 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O ALBB-002980 [0,1,0,0,1,0|0,0,1]=3 110 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 ALBB-016867 [0,1,0,0,1,0|0,0,1]=3 111 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 ALBB-014689 [0,1,0,0,1,0|1,0,1]=4 112 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 ALBB-012783 [0,1,0,0,1,0|2,0,0]=4 113 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O ALBB-017712 [0,1,0,0,1,0|2,0,0]=4 114 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O ALBB-002977 [0,1,0,0,1,0|0,0,1]=3 115 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O ALBB-002976 [0,1,0,0,1,0|0,0,1]=3 116 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 ALBB-002982 [0,1,0,0,1,0|0,0,1]=3 117 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 ALBB-014228 [0,1,0,0,1,0|0,0,1]=3 118 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O ALBB-002981 [0,1,0,0,1,0|0,0,1]=3 119 B15R2.274 CCN1C(=O)NC2=CC=CC=C2C1=O ALBB-016973 [0,2,0,0,0,0|2,0,0]=4 120 B15R2.1754 CC1=CC2=NC(O)=C(C=O)C=C2C=C1 ALBB-007355 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.21243 C(=O)C1=CC2=CC=CC=C2N(C)C1=O ALBB-035290 [0,2,0,0,0,0|0,0,1]=3 122 B15R2.21243 CN1C(=O)C(C#N)=CC2=CC=CC=C21 ALBB-035200 [0,2,0,0,0,0|1,0,0]=3 123 B15R2.21243 CN1C(=O)C(NN)=NC2=CC=CC=C21 ALBB-025481 [0,2,0,0,0,0|2,0,0]=4 124 B15R2.1007 CC1=C(Br)C(=O)NC2=CC=C(Br)C=C21 ALBB-033729 [0,2,0,0,0,0|1,0,0]=3 125 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 ALBB-024630 [0,2,0,0,0,0|1,0,1]=4 126 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 ALBB-035730 [0,0,1,1,0,0|2,0,0]=4 127 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 ALBB-016356 [0,0,1,1,0,0|1,0,0]=3 128 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 ALBB-032943 [0,0,1,1,0,0|1,1,0]=4 129 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 ALBB-010231 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 ALBB-010231 [0,0,1,1,0,0|2,0,0]=4 131 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 ALBB-019794 [0,0,1,0,1,0|1,0,1]=4 132 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [1,0,0,0,1,0|2,0,0]=4 133 B11R2.1 CC1=NNC2=CC=CC=C21 ALBB-018700 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.1 NC1=NNC2=C1C=CC=C2 ALBB-028239 [1,0,0,0,1,0|2,0,0]=4 135 B11R2.1 O=C1NCC2=CC=CC=C12 ALBB-012842 [1,0,0,0,1,0|1,0,1]=4 136 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 ALBB-014726 [0,0,1,0,0,1|2,0,0]=4