0 B14R1.623 CCNC(=O)C1=C([N+](=O)[O-])C=CC=C1 ALBB-023155 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 ALBB-024862 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.572 CCCSC1=C(C(=O)O)C=CC=C1 ALBB-009435 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.572 NCCSC1=CC=CC=C1C(=O)O ALBB-032974 [1,0,0,0,0,0|3,0,0]=4 4 B15R1.3598 CCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 ALBB-016208 [0,1,0,0,0,0|2,0,0]=3 5 B15R1.5509 CC(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] ALBB-023311 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.10616 CCOC(=O)C1=C([N+](=O)[O-])C=CC=C1Cl ALBB-024352 [0,1,0,0,0,0|1,0,1]=3 7 B15R1.1274 NC(=O)C1=C(NC(=O)CCCl)C=CC=C1 ALBB-019003 [0,0,0,0,0,1|3,0,0]=4 8 B15R1.1274 O=C(CCCl)NC1=C(C(=O)O)C=CC=C1 ALBB-018984 [0,0,0,0,0,1|2,0,0]=3 9 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 ALBB-023845 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 ALBB-024142 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.77 COC(=O)C1=CC=CC=C1CBr ALBB-018007 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.121 CCCOC1=CC=CC=C1C=O ALBB-001164 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 ALBB-023496 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.308 CCOC(=N)C1=C(C)C=CC=C1 ALBB-033229 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 ALBB-017345 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 ALBB-006115 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.283 CCOC1=CC=CC=C1B(O)O ALBB-006099 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.283 CCOC1=CC=CC=C1C(C)=O ALBB-002912 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 ALBB-009419 [2,0,0,0,0,0|0,1,0]=3 20 B14R1.263 CCOC(=O)C1=C(N=C=O)C=CC=C1 ALBB-007511 [1,1,0,0,0,0|0,0,1]=3 21 B14R1.317 CCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 ALBB-009437 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC ALBB-031864 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 ALBB-024857 [1,1,0,0,0,0|1,0,1]=4 24 B14R1.67 CCCOC1=CC=C(Br)C=C1C(=O)O ALBB-008976 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.67 CCCOC1=CC=C(Cl)C=C1C(=O)O ALBB-009091 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.903 CCCCSC1=C(C(=O)O)C=CC=C1 ALBB-009436 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.903 COCCSC1=C(C(=O)O)C=CC=C1 ALBB-009420 [1,1,0,0,0,0|2,0,0]=4 28 B16R1.1556 CCOC(=O)NC1=C(C(=O)OC)C=CC=C1 ALBB-023078 [0,1,0,0,0,1|0,0,0]=2 29 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)CCCl ALBB-028751 [0,1,0,0,0,1|2,0,0]=4 30 B16R1.4547 CC(=O)COC(=O)C1=CC=CC=C1[N+](=O)[O-] ALBB-025834 [0,2,0,0,0,0|1,0,1]=4 31 B16R1.6775 CCCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 ALBB-009438 [0,2,0,0,0,0|2,0,0]=4 32 B16R1.6775 COCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 ALBB-009439 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(C)=N1 ALBB-032766 [0,0,1,1,0,0|2,0,0]=4 34 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 ALBB-006574 [0,0,1,1,0,0|1,0,0]=3 35 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CO ALBB-017986 [1,0,0,1,0,0|2,0,0]=4 36 B16R2.3033 O=C(O)C1=C(N2CCCC2=O)C=CC=C1 ALBB-026204 [0,0,0,1,0,1|1,0,0]=3 37 B16R2.3033 O=C1OCCN1C2=C([N+](=O)[O-])C=CC=C2 ALBB-024608 [0,0,0,1,0,1|1,0,1]=4 38 B16R2.26166 O=C1NC2=C(C(=O)O)C=CC=C2C(=O)O1 ALBB-032966 [0,0,0,1,0,1|1,0,1]=4 39 B16R2.27521 NC(=O)C1=CC=CC=C1NC(=O)C2CC2 ALBB-033212 [0,0,0,1,0,1|2,0,0]=4 40 B12R1.316 CCOC(=O)C1=NNC=C1C=O ALBB-007090 [1,0,0,0,1,0|2,0,0]=4