0 B14R2.203 N#CC1=C(N)C=CC2=NC=CC=C21 ALBB-025158 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.32 CC1=CC=C2N=CC=CC2=C1Br ALBB-026378 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 ALBB-026425 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 ALBB-032305 [1,0,0,0,0,0|1,0,1]=3 4 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 ALBB-025726 [1,0,0,0,0,0|0,0,0]=1 5 B13R2.32 O=C1C(Br)=CSC2=CC=CC=C12 ALBB-034433 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.1613 N#CC1=CN=CC2=CC=CC=C12 ALBB-023701 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 ALBB-025707 [1,0,0,0,0,0|0,0,0]=1 8 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 ALBB-025405 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 ALBB-023848 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 ALBB-011852 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 ALBB-014217 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.1613 OCC1=C2N=CC=CC2=CC=C1 ALBB-014216 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.2115 COC1=C(C=O)C2=C(C=CC=C2)C=C1 ALBB-025712 [0,1,0,0,0,0|1,0,1]=3 15 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 ALBB-032084 [0,0,0,0,1,0|2,0,1]=4 16 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 ALBB-025860 [2,0,0,0,0,0|2,0,0]=4 17 B12R2.24 FC1=CC2=CC=CC=C2C=C1 ALBB-035360 [2,0,0,0,0,0|1,0,0]=3 18 B12R2.24 NC1=CC2=CC=CC=C2N=C1 ALBB-008921 [2,0,0,0,0,0|2,0,0]=4 19 B12R2.24 NC1=CC=C2N=CC=CC2=C1 ALBB-014510 [2,0,0,0,0,0|2,0,0]=4 20 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 ALBB-021965 [2,0,0,0,0,0|1,0,0]=3 21 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 ALBB-021973 [2,0,0,0,0,0|1,0,0]=3 22 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 ALBB-023931 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 ALBB-023501 [2,0,0,0,0,0|1,0,0]=3 24 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 ALBB-021975 [2,0,0,0,0,0|1,0,0]=3 25 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 ALBB-021325 [2,0,0,0,0,0|1,0,0]=3 26 B12R2.1081 NC1=NC=NC2=CC=CC=C21 ALBB-005413 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.1081 O=C1NC=CC2=CC=CC=C12 ALBB-023588 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 ALBB-021972 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.1081 OC1=CC=NC2=CC=CC=C12 ALBB-019954 [2,0,0,0,0,0|2,0,0]=4 30 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 ALBB-007478 [0,1,1,0,0,0|2,0,0]=4 31 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(O)=C2 ALBB-032196 [1,1,0,0,0,0|1,0,1]=4 32 B14R2.1131 FC1=CC=C(CCl)C2=CC=CC=C12 ALBB-024892 [1,1,0,0,0,0|1,0,0]=3 33 B14R2.1131 OC1=C2N=CC=CC2=C(CCl)C=C1 ALBB-010263 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.1131 OCC1=C2C=CC=NC2=C(O)C=C1 ALBB-010716 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 ALBB-025961 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2O1 ALBB-036279 [1,1,0,0,0,0|2,0,0]=4 37 B14R2.7150 CNCC1=C2C=CC=NC2=CC=C1 ALBB-011841 [1,1,0,0,0,0|1,0,0]=3 38 B14R2.7150 CNCC1=C2C=CN=CC2=CC=C1 ALBB-006252 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 ALBB-025417 [1,1,0,0,0,0|0,0,0]=2 40 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 ALBB-002137 [1,1,0,0,0,0|0,0,0]=2 41 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 ALBB-002137 [1,1,0,0,0,0|0,0,0]=2 42 B14R2.517 CC1=C(CCN)C2=CC=CC=C2N1 ALBB-023673 [0,1,0,0,1,0|2,0,0]=4 43 B16R2.6148 COC1=C(C(=O)O)C=CC2=CC=CC=C21 ALBB-025454 [0,2,0,0,0,0|2,0,0]=4 44 B16R2.105078 COC1=C(CCN)C2=CC=CC=C2C=C1 ALBB-032388 [0,2,0,0,0,0|0,0,0]=2 45 B16R2.333 O=C(O)CC1=C(O)C=CC2=C1C=CC=C2 ALBB-028248 [0,2,0,0,0,0|1,0,0]=3 46 B16R2.30013 N#CCCC1=C(O)C=CC2=CC=CC=C21 ALBB-005305 [0,2,0,0,0,0|0,0,1]=3 47 B16R3.335 NC1=NC2=C(C=CC3=CC=CC=C32)S1 ALBB-031233 [0,1,0,1,0,0|0,1,1]=4 48 B12R2.315 NCC1=C2C=CNC2=CC=C1 ALBB-014315 [1,0,0,0,1,0|1,0,0]=3