0 B15R2.984 NC(=O)C1=CC2=CC=CC=C2N=C1N ALBB-023365 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 ALBB-024182 [1,0,0,0,0,0|3,0,0]=4 2 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 ALBB-018358 [1,0,0,0,0,0|0,0,1]=2 3 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 ALBB-005959 [1,0,0,0,0,0|2,0,0]=3 4 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 ALBB-023929 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 ALBB-030610 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 ALBB-004760 [1,0,0,0,0,0|1,0,2]=4 7 B14R2.1128 CC1OC2=CC=CC=C2C=C1C=O ALBB-014948 [1,0,0,0,0,0|1,0,1]=3 8 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 ALBB-021232 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O ALBB-025075 [0,1,0,0,0,0|1,0,1]=3 10 B16R2.23372 CC(=O)C1=C(O)C2=CC=CC=C2OC1=O ALBB-012111 [0,1,0,0,0,0|1,0,0]=2 11 B16R2.23372 O=C1OC2=CC=CC=C2C(O)=C1[N+](=O)[O-] ALBB-023242 [0,1,0,0,0,0|1,0,1]=3 12 B16R2.23520 CC(=O)C1=CC2=CC=C(C)C=C2OC1=O ALBB-008115 [0,1,0,0,0,0|1,0,0]=2 13 B16R2.23520 CC(=O)C1=CC2=CC=C(O)C=C2OC1=O ALBB-036304 [0,1,0,0,0,0|1,0,0]=2 14 B16R2.23520 CC1=CC2=NC(O)=C(C(=O)O)C=C2C=C1 ALBB-007356 [0,1,0,0,0,0|1,0,1]=3 15 B16R2.23521 CC(=O)C1=CC2=C(C=CC(Br)=C2)OC1=O ALBB-006146 [0,1,0,0,0,0|1,0,0]=2 16 B16R2.23521 CC1=CC=C2N=C(C)C(C(=O)O)=CC2=C1 ALBB-015304 [0,1,0,0,0,0|2,0,0]=3 17 B16R2.23521 O=C(Cl)C1=CC2=C(C=CC(Cl)=C2)OC1=O ALBB-010826 [0,1,0,0,0,0|1,0,0]=2 18 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1=O ALBB-000940 [0,1,0,0,0,0|0,0,0]=1 19 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1=O ALBB-000265 [0,1,0,0,0,0|0,0,0]=1 20 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1O ALBB-023364 [0,1,0,0,0,0|1,0,1]=3 21 B16R2.33941 NNC(=O)C1=C(O)C=C2C=CC=CC2=C1 ALBB-001059 [0,1,0,0,0,0|2,0,1]=4 22 B16R2.33941 O=C(CBr)C1=CC2=CC=CC=C2OC1=O ALBB-012123 [0,1,0,0,0,0|1,0,0]=2 23 B16R2.83668 CN1C(=O)C(C(=O)O)=CC2=CC=CC=C21 ALBB-035201 [0,1,0,0,0,0|1,0,0]=2 24 B16R2.83668 CN1C(=O)C(C(=O)O)=NC2=CC=CC=C21 ALBB-020563 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.337 O=C(O)CC(=O)NC1=CC=CC=C1O ALBB-030146 [0,0,1,0,0,0|2,0,1]=4 26 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 ALBB-007478 [0,0,1,0,0,0|1,0,1]=3 27 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 ALBB-010676 [0,0,0,0,1,0|3,0,0]=4 28 B14R2.450 CC1=C(C(=O)Cl)OC2=C1C=CC=C2 ALBB-010809 [0,0,0,0,1,0|3,0,0]=4 29 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 ALBB-000192 [0,0,0,0,1,0|2,0,0]=3 30 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 ALBB-007751 [0,0,0,0,1,0|2,0,0]=3 31 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 ALBB-004830 [0,0,0,0,1,0|3,0,0]=4 32 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 ALBB-010796 [0,0,0,0,1,0|3,0,0]=4 33 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 ALBB-000118 [0,0,0,0,1,0|2,0,0]=3 34 B14R2.642 CC(=O)N1C(=O)CC2=CC=CC=C21 ALBB-032685 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.642 CC1=C(C(=O)O)C2=C(C=CC=C2)N1 ALBB-009261 [0,0,0,0,1,0|2,0,0]=3 36 B16R2.3989 CC(=O)CC1=NC2=CC=CC=C2NC1=O ALBB-035261 [0,0,0,0,0,1|3,0,0]=4 37 B16R2.3989 O=C(O)CC1OC2=CC=CC=C2NC1=O ALBB-017002 [0,0,0,0,0,1|2,0,1]=4 38 B16R2.3989 O=C(O)CC1SC2=CC=CC=C2NC1=O ALBB-017001 [0,0,0,0,0,1|2,0,1]=4 39 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl ALBB-011758 [1,0,1,0,0,0|1,0,1]=4 40 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O ALBB-007553 [1,0,1,0,0,0|0,0,1]=3 41 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 ALBB-009526 [1,0,1,0,0,0|2,0,0]=4 42 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 ALBB-009520 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.202 O=C(O)C(=O)NC1=C(F)C=CC=C1 ALBB-009499 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 ALBB-026370 [2,0,0,0,0,0|1,0,0]=3 45 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 ALBB-008101 [2,0,0,0,0,0|2,0,0]=4 46 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 ALBB-021283 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 ALBB-000098 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 ALBB-011840 [2,0,0,0,0,0|1,0,1]=4 49 B13R2.369 NC1=CC2=CC=CC=C2C=C1O ALBB-014252 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.369 O=C1NC2=CC=CC=C2OC1=O ALBB-016477 [2,0,0,0,0,0|1,0,0]=3 51 B15R1.5914 CC(C)OC1=C(\C=C\C(=O)O)C=CC=C1 ALBB-007477 [0,1,1,0,0,0|1,0,1]=4 52 B15R1.11335 CC(=O)C(=CC1=CC=C(Cl)C=C1)C(C)=O ALBB-030304 [0,1,1,0,0,0|2,0,0]=4 53 B15R1.11335 CC(=O)C(=CC1=CC=C(F)C=C1)C(C)=O ALBB-031827 [0,1,1,0,0,0|2,0,0]=4 54 B15R2.627 O=C(O)C1=CNC2=CC=CC=C2C1=O ALBB-030902 [1,1,0,0,0,0|1,0,0]=3 55 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 ALBB-006408 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 ALBB-024826 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 ALBB-001063 [1,1,0,0,0,0|2,0,0]=4 58 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 ALBB-028467 [1,1,0,0,0,0|1,0,0]=3 59 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 ALBB-014130 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 ALBB-020374 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.274 NC1=C(C=O)C(=O)C2=CC=CC=C2O1 ALBB-008102 [1,1,0,0,0,0|1,0,0]=3 62 B15R2.1754 C(=O)C1=CC2=CC=C(C)C=C2N=C1Cl ALBB-006173 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.1754 CC1=CC2=NC(O)=C(C=O)C=C2C=C1 ALBB-007355 [1,1,0,0,0,0|1,0,1]=4 64 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 ALBB-015001 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.21243 C(=O)C1=CC2=CC=CC=C2N(C)C1=O ALBB-035290 [1,1,0,0,0,0|1,0,0]=3 66 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 ALBB-028264 [0,1,0,0,1,0|2,0,0]=4 67 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(F)C=C21 ALBB-005029 [0,1,0,0,1,0|2,0,0]=4 68 B15R2.7203 CC1=CC2=C(C=C1)NC(C(=O)O)=C2C ALBB-007749 [0,1,0,0,1,0|2,0,0]=4 69 B15R2.7203 CC1=CC=C2C=C(C(=O)O)N(C)C2=C1 ALBB-007613 [0,1,0,0,1,0|2,0,0]=4 70 B15R2.9921 CC(=O)C1C(=O)C2=CC=CC=C2C1=O ALBB-023511 [0,1,0,0,1,0|1,0,1]=4 71 B15R2.9921 CC1=C(C(=O)O)N(C)C2=CC=CC=C21 ALBB-005033 [0,1,0,0,1,0|2,0,0]=4 72 B15R2.13463 CC1=C(C(=O)O)NC2=C(F)C=CC=C12 ALBB-031493 [0,1,0,0,1,0|2,0,0]=4 73 B15R2.13463 CC1=C2C=C(C(=O)O)N(C)C2=CC=C1 ALBB-005034 [0,1,0,0,1,0|2,0,0]=4 74 B15R2.13629 CC1=C2C(=CC=C1)C=C(C(=O)O)N2C ALBB-005035 [0,1,0,0,1,0|2,0,0]=4 75 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2Cl)S1 ALBB-000958 [0,1,0,0,1,0|2,0,0]=4 76 B15R2.13629 O=C(O)C1=C(Cl)C2=C(C=CC=C2F)S1 ALBB-000941 [0,1,0,0,1,0|2,0,0]=4 77 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 ALBB-000953 [0,1,0,0,1,0|2,0,0]=4 78 B15R2.14758 CN1C(C(=O)O)=CC2=CC(Br)=CC=C21 ALBB-005040 [0,1,0,0,1,0|2,0,0]=4 79 B15R2.14758 CN1C(C(=O)O)=CC2=CC(F)=CC=C21 ALBB-007611 [0,1,0,0,1,0|2,0,0]=4 80 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Br)C=C2)S1 ALBB-000955 [0,1,0,0,1,0|2,0,0]=4 81 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 ALBB-000952 [0,1,0,0,1,0|2,0,0]=4 82 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(F)C=C2)S1 ALBB-000951 [0,1,0,0,1,0|2,0,0]=4 83 B15R2.7204 CC1=C(C(=O)O)C2=CC(Cl)=CC=C2N1 ALBB-035482 [0,1,0,0,1,0|2,0,0]=4 84 B15R2.7204 CC1=C(C(=O)O)C2=CC(F)=CC=C2N1 ALBB-035481 [0,1,0,0,1,0|2,0,0]=4 85 B15R2.7204 CC1=CC=C2NC(C)=C(C(=O)O)C2=C1 ALBB-035490 [0,1,0,0,1,0|2,0,0]=4 86 B17R2.39114 O=C(O)CN1C(=O)NC2=CC=CC=C2C1=O ALBB-015726 [0,1,0,0,0,1|2,0,0]=4 87 B17R2.57536 COC(=O)\C=C1\NC2=C(C=CC=C2)NC1=O ALBB-016891 [0,1,0,0,0,1|2,0,0]=4 88 B17R2.57536 COC(=O)\C=C1\NC2=C(C=CC=C2)OC1=O ALBB-036319 [0,1,0,0,0,1|1,0,0]=3 89 B17R2.57536 COC(=O)\C=C1\OC2=C(C=CC=C2)NC1=O ALBB-016892 [0,1,0,0,0,1|2,0,0]=4 90 B17R2.1254 COC(=O)C1=CC2=CC=CC=C2C=C1OC ALBB-024828 [0,2,0,0,0,0|1,0,1]=4 91 B17R2.4716 CCOC1=CC2=CC=CC=C2C=C1C(=O)O ALBB-026262 [0,2,0,0,0,0|1,0,1]=4 92 B17R2.58574 CCC(=O)C1=C(O)C2=CC=CC=C2OC1=O ALBB-012112 [0,2,0,0,0,0|1,0,0]=3 93 B17R2.58215 CCC(=O)C1=CC2=CC=C(O)C=C2OC1=O ALBB-015743 [0,2,0,0,0,0|1,0,0]=3 94 B17R2.64948 COC1=CC2=C(C=C1)N=C(C)C(C(=O)O)=C2 ALBB-016243 [0,2,0,0,0,0|2,0,0]=4 95 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1C ALBB-014601 [0,2,0,0,0,0|2,0,0]=4 96 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2OC1=O ALBB-036325 [0,2,0,0,0,0|0,0,0]=2 97 B17R2.392577 COC1=C2OC(=O)C(C(C)=O)=CC2=CC=C1 ALBB-036345 [0,2,0,0,0,0|1,0,0]=3 98 B17R2.392577 COC1=CC=CC2=C1OC(=O)C(C(=O)O)=C2 ALBB-000306 [0,2,0,0,0,0|0,0,0]=2 99 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 ALBB-012639 [0,0,1,1,0,0|1,0,1]=4 100 B17R3.31564 NC1=C2C(=O)OC3=CC=CC=C3C2=CS1 ALBB-001996 [0,1,0,1,0,0|1,1,0]=4 101 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 ALBB-016823 [1,0,0,0,1,0|2,0,0]=4 102 B13R2.72 O=C(Cl)C1=CSC2=C1C=CC=C2 ALBB-010831 [1,0,0,0,1,0|1,1,0]=4 103 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 ALBB-007628 [1,0,0,0,1,0|1,0,0]=3 104 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 ALBB-000361 [1,0,0,0,1,0|0,1,0]=3 105 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 ALBB-006238 [1,0,0,0,1,0|2,0,0]=4 106 B13R2.430 OC(=O)C1=CC2=C(C=C1)C=CN2 ALBB-006287 [1,0,0,0,1,0|2,0,0]=4 107 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 ALBB-016356 [1,0,0,0,1,0|0,0,0]=2 108 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 ALBB-032943 [1,0,0,0,1,0|0,1,0]=3 109 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 ALBB-014746 [1,0,0,0,1,0|2,0,0]=4 110 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 ALBB-010231 [1,0,0,0,1,0|2,0,0]=4 111 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 ALBB-010231 [1,0,0,0,1,0|2,0,0]=4 112 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 ALBB-005433 [1,0,0,0,1,0|1,0,1]=4 113 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 ALBB-014513 [1,0,0,0,1,0|2,0,0]=4 114 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 ALBB-025147 [1,0,0,0,1,0|2,0,0]=4 115 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 ALBB-000205 [1,0,0,0,1,0|2,0,0]=4 116 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O ALBB-006595 [1,0,0,0,1,0|2,0,0]=4 117 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 ALBB-011784 [1,0,0,0,1,0|1,0,1]=4 118 B15R1.256 O=C(O)\C=C\C(=O)NC1=C(Cl)C=CC=C1 ALBB-023253 [0,0,1,0,0,1|2,0,0]=4 119 B15R1.256 O=C(O)\C=C\C(=O)NC1=CC=CC=C1F ALBB-036131 [0,0,1,0,0,1|2,0,0]=4 120 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O ALBB-015647 [0,0,0,0,1,1|1,0,1]=4 121 B15R2.629 O=C(O)CN1NC2=CC=CC=C2C1=O ALBB-016236 [0,0,0,0,1,1|2,0,0]=4 122 B15R2.988 CC1=NC2=CC=CC=C2C(C(=O)O)=C1 ALBB-011579 [0,0,0,0,1,1|2,0,0]=4 123 B15R2.988 O=C(O)C1=C2C=CC=CC2=NC(Cl)=C1 ALBB-006584 [0,0,0,0,1,1|2,0,0]=4 124 B15R2.988 O=C(O)C1=CC(O)=NC2=CC=CC=C21 ALBB-010502 [0,0,0,0,1,1|1,0,1]=4 125 B17R2.5006 O=C(O)CCC1=NC2=C(C=CC=C2)NC1=O ALBB-005213 [0,0,0,0,0,2|2,0,0]=4