0 B12R1.252 CC(O)CNCC1=CC=CC=C1 ALBB-029020 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.252 O=C(O)CCSC1=CC=CC=C1 ALBB-009427 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 O=C(O)CCSC1=NC=CC=C1 ALBB-027382 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 O=C(O)CSCC1=CC=CC=C1 ALBB-009416 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 O=C=NCCC1=CC=CC=C1 ALBB-007537 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 ALBB-022971 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 ALBB-027395 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.149 O=C(O)CNCC1=CC(F)=CC=C1 ALBB-034571 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.158 CC1=C(CNCC(=O)O)C=CC=C1 ALBB-034791 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.351 CC(=O)\C(C)=N\NC1=CC=CC=C1 ALBB-034663 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 ALBB-014726 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.513 NC(=O)CNCC1=CC=C(F)C=C1 ALBB-034434 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 ALBB-009429 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 ALBB-009425 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 ALBB-004706 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.718 COC(=O)CCNC1=CC=CC=C1 ALBB-007444 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 ALBB-002791 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 ALBB-002320 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 ALBB-027034 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 ALBB-010492 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 ALBB-016823 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.163 O=C1CCCC2=CC=CC=C2N1 ALBB-019584 [0,0,0,1,0,0|2,0,0]=3 22 B11R1.91 C=C(C)COC1=CC=CC=C1 ALBB-031904 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.91 CC(C)NCC1=CC=CC=C1 ALBB-005976 [0,0,0,0,1,0|2,0,1]=4 24 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.91 N=C(N)NCC1=CC=CC=C1 ALBB-005187 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.91 N=C(N)SCC1=CC=CC=C1 ALBB-019676 [0,0,0,0,1,0|2,1,0]=4 27 B11R1.91 NC(=S)COC1=CC=CC=C1 ALBB-034407 [0,0,0,0,1,0|2,1,0]=4 28 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 ALBB-016174 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.91 O=C(O)C#CC1=CC=CC=C1 ALBB-000973 [0,0,0,0,1,0|1,0,2]=4 30 B11R1.91 O=C(O)CCC1=NC=CC=C1 ALBB-000157 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.91 O=C(O)CNC1=CC=CC=C1 ALBB-000236 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.91 O=C(O)CSC1=CC=NC=C1 ALBB-032882 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 O=C(O)CSC1=NC=CC=C1 ALBB-000234 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.172 NC(=O)NCCC1=CC=CS1 ALBB-024266 [0,0,0,0,1,0|3,0,0]=4 35 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 ALBB-025460 [0,0,0,0,0,1|2,0,0]=3 36 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 ALBB-024921 [0,0,0,0,0,1|2,0,0]=3 37 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 ALBB-029470 [0,0,0,0,0,1|2,0,0]=3 38 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 ALBB-016579 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.17 C=CCNC1=CC=CC=C1 ALBB-032919 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.17 CCCNC1=CC=CC=C1 ALBB-023698 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 O=C=NCC1=CC=CC=C1 ALBB-007528 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.8 CCNCCOC1=CC=CC=C1 ALBB-024140 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.32 CCOC(=N)CC1=CC=CC=C1 ALBB-033245 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 ALBB-026141 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 ALBB-003987 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 ALBB-010814 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 ALBB-000230 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 ALBB-030423 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 ALBB-008744 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 ALBB-029905 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 ALBB-008749 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 ALBB-011207 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 ALBB-010816 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 ALBB-029466 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 ALBB-027322 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 ALBB-022620 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 ALBB-000805 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 ALBB-000235 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 ALBB-009422 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O ALBB-033299 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl ALBB-010820 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O ALBB-000255 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 ALBB-010744 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ALBB-018652 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 ALBB-006651 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.107 NC(CC(=O)O)C1=CN=CC=C1 ALBB-006651 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.125 CC(=O)C#CC1=CC=CC=C1C ALBB-029861 [0,1,0,0,1,0|0,0,2]=4 71 B12R1.125 CC(=O)COC1=C(Cl)C=CC=C1 ALBB-035766 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 ALBB-031682 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.125 CC1=CC=CC=C1NCC(=O)O ALBB-003985 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl ALBB-011202 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.125 CC1=CC=CC=C1OCC(=O)O ALBB-000800 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 ALBB-011209 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br ALBB-011218 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 ALBB-023257 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.125 O=C(O)CCN1C=CC=CC1=O ALBB-017893 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 ALBB-027317 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 ALBB-000807 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.125 O=C(O)COC1=CC=CC=C1Br ALBB-000818 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.125 O=C(O)COC1=CC=CC=C1F ALBB-000256 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 ALBB-003986 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.226 CC1=CC(OCC(=O)Cl)=CC=C1 ALBB-011203 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 ALBB-000801 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 ALBB-014710 [0,1,0,0,1,0|1,0,0]=3 88 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 ALBB-011341 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 ALBB-027318 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 ALBB-000949 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 ALBB-018196 [0,1,0,0,1,0|2,0,0]=4 92 B14R1.148 CC(=O)NCCOC1=CC(Br)=CC=C1 ALBB-024693 [0,1,0,0,0,1|1,0,0]=3 93 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 ALBB-024563 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.159 CC(=O)NCCOC1=C(Cl)C=CC=C1 ALBB-023231 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.677 CC(=O)NCCOC1=CC=C(Br)C=C1 ALBB-024366 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 ALBB-025340 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 ALBB-025339 [0,1,0,0,0,1|1,0,0]=3 98 B14R1.677 CC(=O)NCCOC1=CC=C(F)C=C1 ALBB-023720 [0,1,0,0,0,1|1,0,0]=3 99 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 ALBB-026254 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 ALBB-026254 [0,1,0,0,0,1|1,0,0]=3 101 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 ALBB-024510 [0,1,0,0,0,1|1,0,0]=3 102 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 ALBB-023434 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 ALBB-030298 [0,1,0,0,0,1|2,0,0]=4 104 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 ALBB-015904 [0,1,0,0,0,1|1,0,0]=3 105 B14R1.716 NNC(=O)CCCOC1=CC=CC=C1 ALBB-010079 [0,1,0,0,0,1|2,0,0]=4 106 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 ALBB-026177 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O ALBB-025900 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O ALBB-023349 [0,1,0,0,0,1|2,0,0]=4 109 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Br)C=C1 ALBB-034419 [0,2,0,0,0,0|1,0,1]=4 110 B14R1.743 CC(CC1=CC=CC=C1)NC(=O)CN ALBB-032311 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 ALBB-019144 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 ALBB-021265 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 ALBB-008508 [0,2,0,0,0,0|1,0,0]=3 114 B12R2.2 C1=CC=C(C2CCNC2)C=C1 ALBB-017869 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.2 C1=CC=C(C2CCNC2)C=C1 ALBB-017869 [1,0,0,1,0,0|1,0,1]=4 116 B12R2.1081 O=C1CCOC2=CC=CC=C12 ALBB-019685 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.1081 O=C1CCSC2=C1C=CC=C2 ALBB-021273 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.24 CC1CCC2=CC=CC=C2N1 ALBB-025689 [0,0,0,1,1,0|1,0,1]=4 119 B12R2.24 O=C1CNC2=CC=CC=C2N1 ALBB-006577 [0,0,0,1,1,0|2,0,0]=4 120 B12R2.24 O=C1COC2=CC=CC=C2N1 ALBB-020505 [0,0,0,1,1,0|2,0,0]=4 121 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 ALBB-013335 [0,0,0,1,0,1|1,0,0]=3 122 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 ALBB-023183 [0,0,0,1,0,1|2,0,0]=4 123 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 ALBB-016288 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 ALBB-023019 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 ALBB-009264 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 ALBB-009264 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.642 CC(=O)N1C(=O)CC2=CC=CC=C21 ALBB-032685 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br ALBB-029081 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)O1 ALBB-035547 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 ALBB-014224 [0,1,0,1,0,0|1,0,0]=3 131 B14R2.95 O=C(CCl)N1CCC2=CC=CC=C21 ALBB-017009 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 ALBB-002488 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.4514 CN1C(=O)CCN1C2=CC=CC=C2 ALBB-033386 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.18 CC(=O)CC1=NC=CC=C1 ALBB-014921 [0,0,0,0,2,0|1,0,0]=3 135 B10R1.18 CC(=O)NC1=CC=CN=C1 ALBB-017764 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.18 CC(=O)OC1=CC=CN=C1 ALBB-021947 [0,0,0,0,2,0|1,0,0]=3 137 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [0,0,0,0,2,0|1,1,0]=4 138 B10R1.18 O=C(O)CC1=CC=CN=C1 ALBB-033044 [0,0,0,0,2,0|2,0,0]=4 139 B10R1.66 CC(=O)CCN1C=CC=N1 ALBB-005855 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.66 O=C(O)CCN1C=CC=C1 ALBB-012483 [0,0,0,0,2,0|2,0,0]=4 141 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 ALBB-023695 [0,0,0,0,0,2|2,0,0]=4