0 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 BBL014326 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.3 COC1=CC=C(NC(=O)C(C)Cl)C=C1 BBL037304 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 COC1=CC=C(OC(C)C(=O)Cl)C=C1 BBL013960 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BBL002689 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BBL015073 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BBL002159 [1,0,0,0,0,0|0,0,1]=2 6 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BBL027730 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.3 COC1=CC=C(CNC(=N)N)C=C1 BBL012462 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 BBL028085 [1,0,0,0,0,0|2,1,0]=4 9 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 BBL027940 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BBL015361 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BBL012098 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBL012085 [1,0,0,0,0,0|0,0,1]=2 13 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 BBL002026 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 BBL031398 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BBL004012 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 BBL000599 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BBL027391 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O BBL007890 [1,0,0,0,0,0|1,0,1]=3 19 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BBL000519 [1,0,0,0,0,0|2,0,0]=3 20 B15R1.16 CCOC1=CC=C(OC(C)C(=O)O)C=C1 BBL038114 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.208 CCC(OC1=CC=C(OC)C=C1)C(=O)O BBL019882 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.208 COC1=CC=C(CC(OC)C(=O)O)C=C1 BBL033226 [0,1,0,0,0,0|0,0,2]=3 23 B15R1.208 COC1=CC=C(\C=C(\C#N)C(=O)Cl)C=C1 BBL030626 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 BBL014134 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.495 CN(C)C1=CC=C(CC(N)C(=O)O)C=C1 BBL023633 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.4834 CCC1=CC=C2NC(C(=O)O)=CC2=C1 BBL020586 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(=O)[O-])S2 BBL023846 [0,0,0,1,0,0|1,1,1]=4 28 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 BBL020243 [0,0,0,1,0,0|1,0,1]=3 29 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 BBL010666 [0,0,0,1,0,0|2,0,0]=3 30 B15R2.4834 COC1=CC=C2NC(C(=O)O)=NC2=C1 BBL022544 [0,0,0,1,0,0|2,0,0]=3 31 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [2,0,0,0,0,0|0,0,1]=3 36 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [2,0,0,0,0,0|0,0,1]=3 39 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [2,0,0,0,0,0|0,0,1]=3 43 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BBL009361 [2,0,0,0,0,0|0,0,0]=2 45 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [2,0,0,0,0,0|0,0,1]=3 46 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BBL000017 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [2,0,0,0,0,0|1,0,0]=3 49 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BBL005121 [1,1,0,0,0,0|0,0,1]=3 50 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BBL008175 [1,1,0,0,0,0|0,1,1]=4 51 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BBL029185 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 BBL014419 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.5 COC1=CC=C(CNC(=O)CN)C=C1 BBL031397 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 BBL037212 [1,1,0,0,0,0|0,0,1]=3 55 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 BBL012068 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 BBL025675 [1,1,0,0,0,0|0,0,1]=3 57 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 BBL036268 [1,1,0,0,0,0|0,0,1]=3 58 B14R1.24 CCOC1=CC=C(CC(=O)NN)C=C1 BBL013910 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O BBL010087 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.686 NC1=C(O)C=CC(CC(N)C(=O)O)=C1 BBL028235 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.6049 CC1=CC(C)=C(NC(=O)C(=O)O)C=C1 BBL000487 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 BBL022152 [0,1,0,0,1,0|1,0,1]=4 63 B14R1.3652 COC1=C(Cl)C=C(C(N)C(=O)O)C=C1 BBL008187 [0,1,0,0,1,0|1,0,1]=4 64 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BBL022175 [0,1,0,0,1,0|1,0,1]=4 65 B16R1.7180 CCOC1=CC=C(NC(=O)CC(C)=O)C=C1 BBL004904 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BBL038142 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BBL022372 [1,0,0,1,0,0|2,0,0]=4 68 B16R2.7476 COC1=CC=C2OCC(C(=O)O)=CC2=C1 BBL028383 [0,0,0,1,0,1|1,0,0]=3 69 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 BBL020677 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.39460 COC1=CC=C2C(=C1)C=C(C(=O)O)N2C BBL013292 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.28287 CCOC1=CC=C2C=C(C(=O)O)NC2=C1 BBL022473 [0,1,0,1,0,0|1,0,1]=4 72 B16R2.7526 COC1=CC2=C(C=C1)C=C(C(=O)O)N2C BBL030547 [0,1,0,1,0,0|1,0,1]=4 73 B16R2.7526 COC1=CC=C2NC(C(=O)O)=C(C)C2=C1 BBL013293 [0,1,0,1,0,0|2,0,0]=4 74 B16R2.7526 COC1=CC=C2OC(C(=O)O)=C(C)C2=C1 BBL030183 [0,1,0,1,0,0|2,0,0]=4 75 B16R2.37660 COC1=CC=C2C=C(C=O)C(O)=NC2=C1 BBL011703 [0,1,0,1,0,0|1,0,1]=4 76 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BBL005388 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 BBL005494 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 BBL014416 [1,0,0,0,1,0|1,0,1]=4 79 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BBL030007 [1,0,0,0,0,1|0,0,1]=3 80 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BBL027859 [1,0,0,0,0,1|0,0,1]=3