0 B7R1.3 O=C1CCOCC1 ALBB-008898 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 O=C1CCSCC1 ALBB-006274 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 O=C1CNCCN1 ALBB-012180 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 OC1CCSCC1 ALBB-011931 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.2 COC1CCNCC1 ALBB-004178 [0,1,0,0,0,0|1,0,2]=4 6 B8R1.2 COC1CCNCC1 ALBB-004178 [0,1,0,0,0,0|1,0,2]=4 7 B8R1.2 CSC1=NCCCN1 ALBB-023680 [0,1,0,0,0,0|2,1,0]=4 8 B8R1.2 N#CC1CCCCC1 ALBB-031644 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.2 N#CC1CCOCC1 ALBB-005332 [0,1,0,0,0,0|2,0,1]=4 10 B8R1.2 N#CN1CCOCC1 ALBB-010142 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.2 NCC1CCOCC1 ALBB-005330 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.2 NNC1=NCCCN1 ALBB-026296 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.2 OCC1CCNCC1 ALBB-030464 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.2 ON=C1CCCCC1 ALBB-017760 [0,1,0,0,0,0|0,0,1]=2 16 B8R1.2 ON=C1CCOCC1 ALBB-005302 [0,1,0,0,0,0|1,0,1]=3 17 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.3 CC1=NNC(=O)CC1 ALBB-011783 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.3 CC1CCC(N)CC1 ALBB-001497 [0,1,0,0,0,0|1,0,1]=3 20 B8R1.3 CC1CCC(N)CC1 ALBB-001497 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.3 CN1CCC(N)CC1 ALBB-000072 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 O=C1CNCC(=O)N1 ALBB-021984 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.4 O=C1COCC(=O)O1 ALBB-035717 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.5 CC1CNCCC1=O ALBB-030108 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.5 CC1SCCNC1=O ALBB-022396 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.5 CN1CCCNC1=O ALBB-012830 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.5 NC1CCCNC1=O ALBB-003929 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.5 O=C1NCCNC1=O ALBB-021992 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 C#CC(=O)OCC ALBB-013040 [0,0,1,0,0,0|1,0,2]=4 31 B6R0.1 CCC(O)COC ALBB-025835 [0,0,1,0,0,0|1,0,2]=4 32 B6R0.1 CCCC(=O)NN ALBB-002745 [0,0,1,0,0,0|2,0,0]=3 33 B6R0.1 CCNC(=O)CCl ALBB-025903 [0,0,1,0,0,0|2,0,0]=3 34 B6R0.1 CNC(=O)CC#N ALBB-004139 [0,0,1,0,0,0|2,0,1]=4 35 B6R0.1 CNC(=O)CCCl ALBB-016142 [0,0,1,0,0,0|2,0,0]=3 36 B6R0.1 CNC(=O)CCN ALBB-017783 [0,0,1,0,0,0|2,0,0]=3 37 B6R0.1 CNC(=O)CCO ALBB-013463 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.1 COC(=N)CCCl ALBB-033225 [0,0,1,0,0,0|3,0,0]=4 39 B6R0.1 COC(=N)CCO ALBB-033259 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.1 COC(=O)CCN ALBB-013472 [0,0,1,0,0,0|2,0,0]=3 41 B6R0.1 COCC(=O)NN ALBB-002746 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.4 CCNCC(=O)O ALBB-034584 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.4 CCSCC(=O)O ALBB-004310 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.4 COCCN(C)C ALBB-034857 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.4 CSCCC(=N)N ALBB-016455 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.6 CCCCCNC ALBB-022351 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.6 CCCCCNN ALBB-003897 [0,0,1,0,0,0|2,0,0]=3 48 B6R0.6 FCCCCCBr ALBB-022599 [0,0,1,0,0,0|2,0,1]=4 49 B6R0.6 O=C=NCCCCl ALBB-021380 [0,0,1,0,0,0|2,0,1]=4 50 B6R1.2 CC1=NNCC1 ALBB-017919 [0,0,0,0,1,0|3,0,0]=4 51 B6R1.2 NC1=NCCS1 ALBB-030173 [0,0,0,0,1,0|3,0,0]=4 52 B6R1.2 NC1=NCCS1 ALBB-030173 [0,0,0,0,1,0|3,0,0]=4 53 B6R1.2 NC1CCNC1 ALBB-005927 [0,0,0,0,1,0|2,0,1]=4 54 B6R1.2 NC1CCNC1 ALBB-005927 [0,0,0,0,1,0|2,0,1]=4 55 B6R1.2 NN1CCCC1 ALBB-032445 [0,0,0,0,1,0|2,0,0]=3 56 B6R1.2 OC1=NNCC1 ALBB-004842 [0,0,0,0,1,0|2,0,1]=4 57 B6R1.2 O[C@@H]1CCNC1 ALBB-014822 [0,0,0,0,1,0|1,0,2]=4 58 B8R1.22 CN1CCCNCC1 ALBB-022359 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.22 O=C1CCOCCN1 ALBB-033952 [0,0,0,0,0,1|1,0,0]=2 60 B5R0.1 CCCC(=N)N ALBB-033963 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 CCOC(C)=N ALBB-014832 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 CNCC(C)=O ALBB-016173 [1,0,1,0,0,0|1,0,0]=3 63 B5R0.2 CCCN=C=O ALBB-007538 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.2 CCOCCN ALBB-024937 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.2 CCSCCN ALBB-011952 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.2 CNCCOC ALBB-022357 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.2 COCCCBr ALBB-030141 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.3 CCC(=N)OC ALBB-033213 [1,0,1,0,0,0|2,0,0]=4 69 B5R0.3 CCC(=O)NN ALBB-002743 [1,0,1,0,0,0|2,0,0]=4 70 B5R0.3 CNC(=O)CCl ALBB-009489 [1,0,1,0,0,0|2,0,0]=4 71 B5R0.3 CNC(=O)CN ALBB-026423 [1,0,1,0,0,0|2,0,0]=4 72 B5R0.3 CNC(=O)CN ALBB-026423 [1,0,1,0,0,0|2,0,0]=4 73 B5R0.3 CNC(=O)CO ALBB-026669 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.2 CC(C)CC(=O)NN ALBB-002480 [0,1,1,0,0,0|2,0,0]=4 75 B7R0.2 CC(C)NC(=O)CCl ALBB-021173 [0,1,1,0,0,0|2,0,0]=4 76 B7R0.2 CC(O)CC(=O)NN ALBB-002757 [0,1,1,0,0,0|2,0,0]=4 77 B7R0.2 COC(=N)CC(C)C ALBB-033293 [0,1,1,0,0,0|2,0,0]=4 78 B7R0.3 CCC(=O)NCCN ALBB-003777 [0,1,1,0,0,0|1,0,0]=3 79 B7R0.3 CCCCC(=O)NN ALBB-002479 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.3 CCCNC(=O)CCl ALBB-013141 [0,1,1,0,0,0|1,0,0]=3 81 B7R0.3 CCCNC(C)CC ALBB-022353 [0,1,1,0,0,0|1,0,1]=4 82 B7R0.3 CCNCC(O)CC ALBB-026226 [0,1,1,0,0,0|0,0,2]=4 83 B7R0.3 CNC(=O)CCCCl ALBB-032165 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.3 CNC(=O)CCCN ALBB-013585 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.3 CNCCC(=O)NC ALBB-004145 [0,1,1,0,0,0|1,0,0]=3 86 B7R0.3 COCCC(=O)NN ALBB-034323 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.3 NNC(=O)CCCO ALBB-010248 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.3 O=C(CCl)NCCCl ALBB-022897 [0,1,1,0,0,0|2,0,0]=4 89 B7R0.5 CCNC(=O)C(C)Br ALBB-032028 [0,1,1,0,0,0|1,0,0]=3 90 B7R0.5 CCNC(=O)C(C)Cl ALBB-009554 [0,1,1,0,0,0|1,0,0]=3 91 B7R0.5 CN(C)C(=O)CCCl ALBB-011968 [0,1,1,0,0,0|2,0,0]=4 92 B7R0.5 CN(C)C(=O)CCO ALBB-014310 [0,1,1,0,0,0|2,0,0]=4 93 B7R0.7 CCCC(N)CCC ALBB-024910 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.7 CCNC(=O)CC#N ALBB-023461 [0,1,1,0,0,0|1,0,1]=4 95 B7R0.7 CCNC(=O)CCCl ALBB-011970 [0,1,1,0,0,0|1,0,0]=3 96 B7R0.7 CCOC(=N)CCCl ALBB-003779 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.7 CCOC(=N)CCO ALBB-033257 [0,1,1,0,0,0|2,0,0]=4 98 B7R0.7 CCOC(=O)CCO ALBB-013457 [0,1,1,0,0,0|1,0,0]=3 99 B7R0.7 CCOC(=O)CNN ALBB-008928 [0,1,1,0,0,0|2,0,0]=4 100 B7R0.7 CCOC(=O)CNN ALBB-008928 [0,1,1,0,0,0|2,0,0]=4 101 B7R0.7 CCOC(=O)NNC ALBB-035548 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.10 CCC(C)C(=O)NN ALBB-016228 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.10 CCN(C)C(=O)CCl ALBB-003893 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.10 COC(=O)C(O)CCl ALBB-023713 [0,1,1,0,0,0|2,0,0]=4 105 B7R0.11 CCS(=O)(=O)CCO ALBB-008888 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.4 CC(=O)CCCCCl ALBB-025821 [0,1,1,0,0,0|0,0,0]=2 107 B7R0.4 CC(=O)NCCCCl ALBB-032280 [0,1,1,0,0,0|1,0,0]=3 108 B7R0.4 CC(=O)NCCCO ALBB-012330 [0,1,1,0,0,0|1,0,0]=3 109 B7R0.4 CCCCNC(C)C ALBB-012226 [0,1,1,0,0,0|1,0,1]=4 110 B7R0.4 CCCNCC(C)O ALBB-029019 [0,1,1,0,0,0|0,0,2]=4 111 B7R0.4 CCCOCC(=O)O ALBB-014631 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.4 CCCSCC(=O)O ALBB-004309 [0,1,1,0,0,0|1,0,0]=3 113 B7R0.4 CCOCCC(=O)Cl ALBB-028804 [0,1,1,0,0,0|1,0,0]=3 114 B7R0.4 CCOCCC(=O)O ALBB-022360 [0,1,1,0,0,0|1,0,0]=3 115 B7R0.4 CNCCCC(=O)O ALBB-026447 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.4 CNCCCC(=O)O ALBB-026447 [0,1,1,0,0,0|1,0,0]=3 117 B7R0.4 NC(=O)CSCCO ALBB-011953 [0,1,1,0,0,0|2,0,0]=4 118 B7R0.6 C=C(C)COC(C)=O ALBB-015064 [0,1,1,0,0,0|1,0,1]=4 119 B7R0.6 CC(=O)CCN(C)C ALBB-011785 [0,1,1,0,0,0|1,0,0]=3 120 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.6 CN(C)CCC(=O)O ALBB-004693 [0,1,1,0,0,0|2,0,0]=4 122 B7R0.1 CCCCCCNN ALBB-033427 [0,1,1,0,0,0|1,0,1]=4 123 B7R0.1 CCCCSCCN ALBB-025732 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.1 CCCCSCCN ALBB-025732 [0,1,1,0,0,0|1,0,1]=4 125 B7R0.1 COCCCN=C=O ALBB-003055 [0,1,1,0,0,0|1,0,1]=4 126 B7R1.1 CNC1CCCC1 ALBB-013221 [0,1,0,0,1,0|1,0,1]=4 127 B7R1.1 CNC1CCCC1 ALBB-013221 [0,1,0,0,1,0|1,0,1]=4 128 B7R1.1 COC1=NCCC1 ALBB-021703 [0,1,0,0,1,0|1,0,1]=4 129 B7R1.2 O=C1C=C(O)CC1 ALBB-008899 [0,1,0,0,1,0|0,0,2]=4 130 B9R1.5 NC1CCCCNC1=O ALBB-022356 [0,1,0,0,0,1|0,0,0]=2 131 B9R1.5 O=C1NCCCCC1Br ALBB-030091 [0,1,0,0,0,1|0,0,0]=2 132 B9R1.89 O=CN1CCCNCC1 ALBB-005771 [0,1,0,0,0,1|1,0,0]=3 133 B9R1.1 CC1CCC(=NO)CC1 ALBB-013460 [0,2,0,0,0,0|0,0,1]=3 134 B9R1.1 CCC1CCC(N)CC1 ALBB-001498 [0,2,0,0,0,0|1,0,1]=4 135 B9R1.1 CCN1CCC(O)CC1 ALBB-021944 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.1 CN1CCC(CN)CC1 ALBB-005697 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.1 CN1CCC(CO)CC1 ALBB-005249 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.1 CNC1CCN(C)CC1 ALBB-004686 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.1 CNC1CCN(C)CC1 ALBB-004686 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.1 CNC1CCN(C)CC1 ALBB-004686 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.6 NC(=O)C1CCCCN1 ALBB-024661 [0,2,0,0,0,0|1,0,1]=4 142 B9R1.6 NC(=O)C1CCCNC1 ALBB-026453 [0,2,0,0,0,0|1,0,1]=4 143 B9R1.6 NC(=O)C1CCCOC1 ALBB-005334 [0,2,0,0,0,0|1,0,1]=4 144 B9R1.6 NC(=O)C1CCNCC1 ALBB-025738 [0,2,0,0,0,0|1,0,1]=4 145 B9R1.6 O=C(O)C1CCNCC1 ALBB-035134 [0,2,0,0,0,0|1,0,1]=4 146 B9R1.8 CNCC1CCCCC1 ALBB-032823 [0,2,0,0,0,0|1,0,1]=4 147 B9R1.8 N#CCN1CCCCC1 ALBB-004596 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.8 NCCC1CCCCC1 ALBB-016002 [0,2,0,0,0,0|1,0,1]=4 149 B9R1.15 CC1CCCC\C1=N\O ALBB-016145 [0,2,0,0,0,0|0,0,1]=3 150 B9R1.15 CN1CCCCC1CO ALBB-021942 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.15 CN[C@@H]1CCCC[C@H]1O ALBB-027109 [0,2,0,0,0,0|0,0,2]=4 152 B9R1.15 O=CC1CCCCC1=O ALBB-017842 [0,2,0,0,0,0|0,0,0]=2 153 B9R1.118 N#CC1(N)CCCCC1 ALBB-022807 [0,2,0,0,0,0|1,0,1]=4 154 B9R1.118 N#CC1(O)CCCCC1 ALBB-032350 [0,2,0,0,0,0|0,0,2]=4 155 B9R1.69 CC1CNC(=O)N(C)C1 ALBB-014858 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.66 CC1(C)CC(=O)CCO1 ALBB-007457 [0,2,0,0,0,0|1,0,0]=3 157 B9R1.40 CC1(C)SCCNC1=O ALBB-022601 [0,2,0,0,0,0|2,0,0]=4 158 B7R1.22 NNC(=O)C1CC1 ALBB-002483 [0,0,1,1,0,0|2,0,0]=4 159 B7R1.18 O=C(Cl)C1CCC1 ALBB-032816 [0,0,1,1,0,0|1,0,0]=3 160 B7R1.20 O=C(O)CC1CC1 ALBB-022364 [0,0,1,1,0,0|1,0,0]=3