0 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 BB31-7664 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 BB55-0553 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 COC1=CC=C(NC(=O)C(C)Br)C=C1 BB01-5552 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3 COC1=CC=C(NC(=O)C(C)Cl)C=C1 BB55-1816 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BB55-0079 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2920 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BB01-6132 [1,0,0,0,0,0|0,0,1]=2 7 B13R1.3 COC1=CC=C(CSC(=N)N)C=C1 BB01-2444 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BB01-4620 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=CC=C(OCC(C)=O)C=C1 BB57-5297 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6091 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2913 [1,0,0,0,0,0|0,0,1]=2 12 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 BB01-7979 [1,0,0,0,0,0|0,1,1]=3 13 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 BB57-6143 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.5 C=CC(=O)NC1=CC=C(CC)C=C1 BB20-1289 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 BB55-0705 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 BB01-1057 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 BB55-4710 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BB55-0546 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 BB57-6641 [1,0,0,0,0,0|0,0,0]=1 20 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BB55-4705 [1,0,0,0,0,0|2,0,0]=3 21 B15R1.16 CCOC1=CC=C(OC(C)C(=O)O)C=C1 BB05-0767 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.208 CCC(OC1=CC=C(OC)C=C1)C(=O)O BB55-0591 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.208 COC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 BB01-7990 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.216 COC1=CC=C(NC(C)(C)C(=O)O)C=C1 BB55-6330 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 BB55-0625 [0,1,0,0,0,0|2,0,1]=4 26 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 BB01-4371 [0,0,0,1,0,0|1,0,1]=3 27 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-4451 [0,0,0,1,0,0|2,0,0]=3 28 B15R1.204 CCC1=CC=C(NC(=O)CC(C)=O)C=C1 BB05-2878 [0,0,0,0,0,1|3,0,0]=4 29 B15R1.205 COC1=CC=C(CNC(=O)C(C)Br)C=C1 BB58-4896 [0,0,0,0,0,1|2,0,1]=4 30 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BB17-1417 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BB01-3863 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6090 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BB55-6070 [2,0,0,0,0,0|0,0,1]=3 34 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB01-6226 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BB55-6069 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BB01-2919 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BB01-2224 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.71 COC1=CC=C(CN=C=O)C=C1 BB01-6562 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 BB20-0241 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB01-2858 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 BB55-4619 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 BB57-0278 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BB55-2082 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O BB57-6615 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 BB57-2332 [2,0,0,0,0,0|1,0,1]=4 46 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BB01-4011 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 BB57-4788 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 BB01-5062 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 BB01-5500 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.5 COC1=CC=C(COC(=O)NN)C=C1 BB57-7025 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 BB58-2553 [1,1,0,0,0,0|0,0,1]=3 52 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6105 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2917 [1,1,0,0,0,0|0,0,1]=3 54 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 BB55-6071 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.24 CCOC1=CC=C(CC(=O)NN)C=C1 BB55-0709 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3276 COC1=CC=C(CC(=O)NN)C=C1Cl BB01-5058 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.3714 COC1=CC=C(CC(=O)NN)C(Cl)=C1 BB01-5060 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.134 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)OC BB58-5439 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.6049 CC1=CC(C)=C(NC(=O)C(=O)O)C=C1 BB55-4720 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.6049 O=C(O)C(=O)NC1=C(F)C=C(F)C=C1 BB55-4716 [1,1,0,0,0,0|2,0,0]=4 61 B16R1.197 COC(=O)\C(Cl)=N\NC1=CC=C(OC)C=C1 BB58-5106 [0,1,0,0,0,1|2,0,0]=4 62 B16R1.13 CCOC1=CC=C(NC(=O)C(=O)NN)C=C1 BB58-4545 [0,2,0,0,0,0|2,0,0]=4 63 B16R1.217 C=C(C(=O)OC)C(O)C1=CC=C(OC)C=C1 BB58-4480 [0,2,0,0,0,0|1,0,0]=3 64 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 BB58-1195 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 BB57-6852 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.3274 CCC1=CC=C2NC(=O)C(=O)C2=C1 BB01-4613 [1,0,0,1,0,0|2,0,0]=4 67 B16R2.7476 COC1=CC=C2OCC(C(=O)O)CC2=C1 BB01-2564 [0,0,0,1,0,1|1,0,1]=4 68 B16R2.3108 COC(=O)[C@@H]1O[C@H]1C2=CC=C(OC)C=C2 BB58-4375 [0,1,0,1,0,0|0,0,2]=4 69 B16R2.7604 COC(=O)C1=CC2=CC(OC)=CC=C2N1 BB01-6447 [0,1,0,1,0,0|2,0,0]=4 70 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 BB55-7821 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.7526 COC1=CC=C2C=C(C(=O)O)N(C)C2=C1 BB55-7767 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 BB01-4890 [1,0,0,0,1,0|1,0,1]=4 73 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB58-1714 [1,0,0,0,1,0|1,0,1]=4 74 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BB01-3789 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 BB01-2751 [1,0,0,0,1,0|2,0,0]=4 76 B12R1.20 CC1=CC=C(C(=O)C(O)O)C=C1 BB57-6779 [1,0,0,0,1,0|0,0,2]=4 77 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 BB57-4695 [1,0,0,0,0,1|2,0,0]=4 78 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 BB01-2739 [1,0,0,0,0,1|1,0,0]=3 79 B16R1.4 COC1=CC=C(NC(=O)\C=C\C(=O)O)C=C1 BB57-4553 [0,0,0,0,0,2|1,0,0]=3