0 B12R1.252 CC(C)=CCSC1=CC=CC=C1 1107AL [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 4949AD [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CC#CCNC1=CC=CC=C1 0461AD [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 CNCCCC1=CC=NC=C1 4337AJ [1,0,0,0,0,0|3,0,0]=4 5 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 0351AB [0,1,0,0,0,0|2,0,0]=3 6 B13R1.149 O=C(O)CCCC1=CC(F)=CC=C1 2521AL [0,1,0,0,0,0|2,0,0]=3 7 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 3822AB [0,1,0,0,0,0|1,0,1]=3 8 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 4902AL [0,1,0,0,0,0|0,0,0]=1 9 B13R1.348 N[C@H](CC(=O)O)CC1=CC=NC=C1 2496AB [0,1,0,0,0,0|3,0,0]=4 10 B13R1.351 NC(COC1=CC=CC=C1)C(=O)O 1494AJ [0,1,0,0,0,0|3,0,0]=4 11 B13R1.351 N[C@@H](COC1=CC=CC=C1)C(=O)O 9129AH [0,1,0,0,0,0|3,0,0]=4 12 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O 0569AP [0,1,0,0,0,0|3,0,0]=4 13 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O 8969AH [0,1,0,0,0,0|3,0,0]=4 14 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 8381AA [0,1,0,0,0,0|2,0,0]=3 15 B13R1.513 NC(=O)CNCC1=CC=C(Br)C=C1 3146AC [0,1,0,0,0,0|3,0,0]=4 16 B13R1.718 CC(C=O)COCC1=CC=CC=C1 0090AQ [0,1,0,0,0,0|2,0,1]=4 17 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)C1 4156AL [0,0,0,1,0,0|1,0,0]=2 18 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 1224AL [0,0,0,1,0,0|1,0,0]=2 19 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [0,0,0,1,0,0|1,0,0]=2 20 B13R2.31 O=C1CC(SC2=CC=CC=C2)N1 2561AL [0,0,0,1,0,0|2,0,0]=3 21 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 1558AL [0,0,0,1,0,0|1,0,2]=4 22 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 I481 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 5809AE [0,0,0,1,0,0|3,0,0]=4 24 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 4214AB [0,0,0,1,0,0|2,0,0]=3 25 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,1,0|1,1,0]=3 26 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [0,0,0,0,1,0|1,1,0]=3 27 B11R1.91 CC(=O)SCC1=NC=CC=C1 Z3404 [0,0,0,0,1,0|1,1,0]=3 28 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [0,0,0,0,1,0|2,0,0]=3 30 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [0,0,0,0,1,0|2,0,0]=3 31 B11R1.172 O=C(O)CCCC1=CNC=C1 0382AQ [0,0,0,0,1,0|3,0,0]=4 32 B13R1.337 C\C(Cl)=C/CNCC1=CC=CC=C1 8090AC [0,0,0,0,0,1|2,0,0]=3 33 B10R1.17 COCOC1=CC=CC=C1 0189AF [2,0,0,0,0,0|1,0,0]=3 34 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [1,1,0,0,0,0|2,0,0]=4 35 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [0,1,0,0,1,0|0,0,0]=2 36 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.21 CN(C)CCC1=CC=C(Br)C=C1 7634AA [0,1,0,0,1,0|2,0,0]=4 38 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,1,0,0,1,0|1,0,0]=3 39 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O 7425AC [0,1,0,0,1,0|2,0,0]=4 40 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 1858AE [0,1,0,0,1,0|2,0,0]=4 41 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 3137AF [0,1,0,0,1,0|2,0,0]=4 42 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 7438AA [0,1,0,0,1,0|2,0,0]=4 44 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,1,0,0,1,0|2,0,0]=4 45 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 7422AE [0,1,0,0,1,0|1,0,1]=4 46 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [0,1,0,0,1,0|0,0,0]=2 47 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 V7132 [0,1,0,0,1,0|0,0,2]=4 48 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,1,0,0,1,0|2,0,0]=4 49 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 8810AH [0,1,0,0,0,1|2,0,0]=4 50 B14R1.6072 O=C(O)CCCC1=CC(Cl)=CC=C1Cl Y5580 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.161 CC1=C(CCC(N)C(=O)O)C=CC=C1 1356AB [0,2,0,0,0,0|2,0,0]=4 52 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F 1214AL [0,2,0,0,0,0|2,0,0]=4 53 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O 9316AB [0,2,0,0,0,0|2,0,0]=4 54 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 0463AC [0,2,0,0,0,0|2,0,0]=4 55 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 TMBA027 [0,2,0,0,0,0|1,0,0]=3 56 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [1,0,0,1,0,0|1,0,1]=4 57 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [1,0,0,1,0,0|0,0,1]=3 58 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [1,0,0,1,0,0|1,0,0]=3 59 B12R2.27 O=CC1CC1C2=CC=NC=C2 W9659 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [0,0,0,1,1,0|2,0,0]=4 63 B12R2.2403 C[Si]1(C)OCC2=CC=CC=C21 AMTSi121 [0,0,0,1,1,0|1,1,0]=4 64 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,1,1,0|1,0,0]=3 65 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 4739AL [0,0,0,1,0,1|0,0,0]=2 66 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 Y9511 [0,0,0,1,0,1|0,0,2]=4 67 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 2690AC [0,0,0,1,0,1|1,0,0]=3 68 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8705AC [0,0,0,1,0,1|2,0,0]=4 69 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 0012AB [0,0,0,1,0,1|1,0,0]=3 70 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 3436AA [0,0,0,1,0,1|1,0,0]=3 71 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 6071AA [0,0,0,1,0,1|2,0,0]=4 72 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 9636AB [0,1,0,1,0,0|2,0,0]=4 73 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 6251AA [0,1,0,1,0,0|0,0,0]=2 74 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 3780AA [0,1,0,1,0,0|0,0,0]=2 75 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 B162 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.22 O=C1CC(C2=CC=CC(Br)=C2)CN1 X8946 [0,1,0,1,0,0|1,0,0]=3 77 B14R2.300 NC1=CC2=C(C=C1)C(C(=O)O)CC2 9187AB [0,1,0,1,0,0|2,0,0]=4 78 B14R2.300 O=C(O)C1CCC2=CC(Cl)=CC=C21 3179AJ [0,1,0,1,0,0|2,0,0]=4 79 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 1104AJ [0,1,0,1,0,0|2,0,0]=4 80 B14R2.7974 O=C1CCCC2=CC(Br)=CC=C2N1 7689AB [0,1,0,1,0,0|2,0,0]=4 81 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 X5680 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.8032 NC1=C2CCC(C(=O)O)C2=CC=C1 9188AB [0,1,0,1,0,0|2,0,0]=4 83 B14R2.642 CC(=O)N1C(=O)CC2=C1C=CC=C2 1090AB [0,1,0,1,0,0|1,0,1]=4 84 B14R2.738 NC1CC(=O)NC2=C(C=CC=C2)C1 2615AL [0,1,0,1,0,0|2,0,0]=4 85 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O 3243AH [0,1,0,1,0,0|1,0,0]=3 86 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)C1 7645AA [0,1,0,1,0,0|1,0,0]=3 87 B14R2.5816 O=C(O)C1CCC2=C1C=C(O)C=C2 1012AB [0,1,0,1,0,0|2,0,0]=4 88 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 2032AB [0,1,0,1,0,0|1,0,0]=3 89 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 Z7799 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [0,0,0,0,2,0|2,0,0]=4 91 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [0,0,0,0,2,0|1,0,0]=3 92 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [0,0,0,0,2,0|2,0,0]=4 93 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 Y4005 [0,0,0,0,0,2|1,1,0]=4