0 B12R1.252 CC(C)=CCSC1=CC=CC=C1 1107AL [0,0,0,0,0,0|3,0,1]=4 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 CNCCCC1=CC=CC=N1 7821AA [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 CNCCCC1=CC=NC=C1 4337AJ [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 ClCCCCC1=CC=NC=C1 7442AB [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 OCCNCC1=CC=NC=C1 8413AE [1,0,0,0,0,0|2,0,1]=4 6 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 0351AB [0,1,0,0,0,0|0,0,0]=1 7 B13R1.149 O=C(O)CCCC1=CC(F)=CC=C1 2521AL [0,1,0,0,0,0|0,0,0]=1 8 B13R1.158 O=C(O)C\C=C\C1=CC=CC=C1F 3251AH [0,1,0,0,0,0|0,0,2]=3 9 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 3822AB [0,1,0,0,0,0|1,0,1]=3 10 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 4902AL [0,1,0,0,0,0|2,0,0]=3 11 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 7801AE [0,1,0,0,0,0|2,0,0]=3 12 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 5994AL [0,1,0,0,0,0|1,0,2]=4 13 B13R1.348 N[C@H](CC(=O)O)CC1=CC=NC=C1 2496AB [0,1,0,0,0,0|1,0,0]=2 14 B13R1.351 NC(COC1=CC=CC=C1)C(=O)O 1494AJ [0,1,0,0,0,0|1,0,0]=2 15 B13R1.351 N[C@@H](COC1=CC=CC=C1)C(=O)O 9129AH [0,1,0,0,0,0|1,0,0]=2 16 B13R1.351 N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O 0569AP [0,1,0,0,0,0|1,0,0]=2 17 B13R1.351 N[C@H](COC1=CC=CC=C1)C(=O)O 8969AH [0,1,0,0,0,0|1,0,0]=2 18 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 8381AA [0,1,0,0,0,0|0,0,0]=1 19 B13R1.513 NC(=O)CNCC1=CC=C(Br)C=C1 3146AC [0,1,0,0,0,0|2,0,0]=3 20 B13R1.718 CC(C=O)COCC1=CC=CC=C1 0090AQ [0,1,0,0,0,0|2,0,1]=4 21 B13R1.718 CC(CO)CNCC1=CC=CC=C1 0887AF [0,1,0,0,0,0|2,0,1]=4 22 B13R1.3523 CC(C)(O)COCC1=CC=CC=C1 X6732 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)C1 4156AL [0,0,0,1,0,0|1,0,0]=2 24 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 1224AL [0,0,0,1,0,0|2,0,0]=3 25 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [0,0,0,1,0,0|1,0,0]=2 26 B13R2.31 O=C1CC(SC2=CC=CC=C2)N1 2561AL [0,0,0,1,0,0|2,0,0]=3 27 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 1900AA [0,0,0,1,0,0|1,0,2]=4 28 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 I481 [0,0,0,1,0,0|1,0,0]=2 29 B13R2.163 O=C1CCNC2=C(C=CC=N2)N1 1773AC [0,0,0,1,0,0|3,0,0]=4 30 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 5809AE [0,0,0,1,0,0|1,0,0]=2 31 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 4214AB [0,0,0,1,0,0|0,0,0]=1 32 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 CC(=O)SCC1=NC=CC=C1 Z3404 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,0,0,0,1,0|3,0,0]=4 36 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [0,0,0,0,1,0|2,0,0]=3 37 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [0,0,0,0,1,0|2,0,0]=3 38 B11R1.91 O=C(O)C#CC1=CC=NC=C1 5670AJ [0,0,0,0,1,0|1,0,2]=4 39 B11R1.172 O=C(O)CCCC1=CNC=C1 0382AQ [0,0,0,0,1,0|1,0,0]=2 40 B11R1.172 O=C(O)CCCC1=CNN=C1 0440AF [0,0,0,0,1,0|2,0,0]=3 41 B13R1.337 C\C(Cl)=C/CNCC1=CC=CC=C1 8090AC [0,0,0,0,0,1|2,0,1]=4 42 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 OCCCC1=NC=CC=N1 2038AJ [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 OCCCC1=NC=CN=C1 2035AJ [2,0,0,0,0,0|2,0,0]=4 45 B12R1.1 OCCNCC1=CC=C(Br)C=C1 Z2388 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [1,1,0,0,0,0|1,0,0]=3 47 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [0,1,0,0,1,0|1,0,0]=3 48 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,1,0,0,1,0|0,0,0]=2 50 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O 7425AC [0,1,0,0,1,0|1,0,0]=3 51 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O 1359AH [0,1,0,0,1,0|2,0,0]=4 52 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 1858AE [0,1,0,0,1,0|1,0,0]=3 53 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 3137AF [0,1,0,0,1,0|1,0,0]=3 54 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 7438AA [0,1,0,0,1,0|1,0,0]=3 56 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,1,0,0,1,0|1,0,1]=4 57 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 7422AE [0,1,0,0,1,0|2,0,0]=4 58 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [0,1,0,0,1,0|1,0,0]=3 59 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,1,0,0,1,0|1,0,0]=3 60 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 3828AB [0,1,0,0,1,0|1,0,0]=3 61 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CS1 3829AB [0,1,0,0,1,0|1,0,0]=3 62 B14R1.420 C\C(=N\OCC(=O)O)C1=CC=CC=C1 Y7240 [0,1,0,0,0,1|1,0,1]=4 63 B14R1.420 O=C(O)CCNC(=O)C1=CC=CN=C1 5562AD [0,1,0,0,0,1|1,0,1]=4 64 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=N1 0543AD [0,1,0,0,0,1|1,0,0]=3 65 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 8810AH [0,1,0,0,0,1|0,0,0]=2 66 B14R1.423 O=C(O)CCC(=O)NC1=CC=NC=C1 6842AE [0,1,0,0,0,1|1,0,1]=4 67 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 2802AL [0,1,0,0,0,1|1,0,1]=4 68 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 9524AJ [0,1,0,0,0,1|0,0,1]=3 69 B14R1.160 CC1=C(C(=O)CCC(=O)O)C=CC=C1 8249AE [0,2,0,0,0,0|0,0,1]=3 70 B14R1.415 O=C(CC(O)C(=O)O)C1=CC=CC=C1 9991AB [0,2,0,0,0,0|0,0,1]=3 71 B14R1.6072 O=C(O)CCCC1=CC(Cl)=CC=C1Cl Y5580 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.161 CC1=C(CCC(N)C(=O)O)C=CC=C1 1356AB [0,2,0,0,0,0|0,0,0]=2 73 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F 1214AL [0,2,0,0,0,0|0,0,0]=2 74 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O 4754AA [0,2,0,0,0,0|1,0,0]=3 75 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@@H](O)C(=O)O 9316AB [0,2,0,0,0,0|0,0,0]=2 76 B14R1.433 N[C@@H](CC1=CC=CC=C1)CS(=O)(=O)O X6408 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 0463AC [0,2,0,0,0,0|0,0,0]=2 78 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 2232AL [0,2,0,0,0,0|1,0,1]=4 79 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 TMBA027 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=CC=C1 9081AD [0,2,0,0,0,0|1,0,0]=3 81 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 5760AJ [0,2,0,0,0,0|1,0,0]=3 82 B14R1.131 O=S(=O)(O)CCCC1=CC=C(F)C=C1 2501AD [0,2,0,0,0,0|1,0,0]=3 83 B12R2.1 OCC1COC2=C1C=CC=C2 1051AL [1,0,0,1,0,0|1,0,1]=4 84 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 1637AL [1,0,0,1,0,0|1,0,1]=4 85 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [1,0,0,1,0,0|0,0,1]=3 87 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.27 C#CC1CC1C2=CC=CC=C2 5287AC [1,0,0,1,0,0|1,0,1]=4 89 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [1,0,0,1,0,0|0,0,0]=2 90 B12R2.27 O=CC1CC1C2=CC=NC=C2 W9659 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.41 C1=CC=C2OCCC=CC2=C1 Y3179 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.41 C1=CC=C2OCCCNC2=C1 1334AJ [1,0,0,1,0,0|1,0,1]=4 93 B12R2.1081 O=C1CCCC2=C1C=CN=C2 0827AA [1,0,0,1,0,0|1,0,0]=3 94 B12R2.1081 O=C1CCOC2=C1C=CC=N2 1370AJ [1,0,0,1,0,0|2,0,0]=4 95 B12R2.1081 O=C1CCOC2=CC=NC=C12 1127AC [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [1,0,0,1,0,0|1,0,0]=3 97 B12R2.1081 OC1CCCC2=C1N=CC=C2 6497AJ [1,0,0,1,0,0|1,0,1]=4 98 B12R2.1081 OC1CCNC2=CC=CC=C21 1767AB [1,0,0,1,0,0|1,0,1]=4 99 B12R2.1081 OC1CNCC2=C1C=CC=C2 9573AH [1,0,0,1,0,0|1,0,1]=4 100 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,1,1,0|0,0,0]=2 101 B12R2.1354 O=C(O)C1CC1C2=CC=CO2 1265AJ [0,0,0,1,1,0|1,0,0]=3 102 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 4739AL [0,0,0,1,0,1|1,0,0]=3 103 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 2690AC [0,0,0,1,0,1|1,0,0]=3 104 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8705AC [0,0,0,1,0,1|2,0,0]=4 105 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 0012AB [0,0,0,1,0,1|1,0,0]=3 106 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 3436AA [0,0,0,1,0,1|1,0,0]=3 107 B14R2.21 OC1CCOC(C2=CC=CC=C2)C1 2699AC [0,0,0,1,0,1|1,0,1]=4 108 B14R2.21 O[C@@H]1CCO[C@@H](C2=CC=CC=C2)C1 9802AA [0,0,0,1,0,1|1,0,1]=4 109 B14R2.31359 NC(=S)C1CCCC2=C1C=CC=C2 9580AH [0,0,0,1,0,1|1,1,0]=4 110 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 6071AA [0,0,0,1,0,1|0,0,0]=2 111 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 9636AB [0,1,0,1,0,0|2,0,0]=4 112 B14R2.68 O=C1CNC(C2=CC=CC=C2)CO1 6251AA [0,1,0,1,0,0|1,0,0]=3 113 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 3780AA [0,1,0,1,0,0|1,0,0]=3 114 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 B162 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.22 O=C1CC(C2=CC=CC(Br)=C2)CN1 X8946 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.300 NC1=CC2=C(C=C1)C(C(=O)O)CC2 9187AB [0,1,0,1,0,0|0,0,0]=2 117 B14R2.300 O=C(O)C1CCC2=CC(Cl)=CC=C21 3179AJ [0,1,0,1,0,0|0,0,0]=2 118 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 1104AJ [0,1,0,1,0,0|0,0,0]=2 119 B14R2.7974 O=C1CCCC2=CC(Br)=CC=C2N1 7689AB [0,1,0,1,0,0|1,0,0]=3 120 B14R2.256 O=C1CC(C2=CC=CC=C2Cl)CN1 X5680 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.781 NC(=O)[C@@H]1CC2=CC=CC=C2CN1 9088AH [0,1,0,1,0,0|2,0,0]=4 122 B14R2.781 NC(=O)[C@H]1CC2=CC=CC=C2CN1 8935AH [0,1,0,1,0,0|2,0,0]=4 123 B14R2.781 O=C(O)C1CCC2=NC=CC=C2C1 4843AA [0,1,0,1,0,0|1,0,0]=3 124 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 2078AJ [0,1,0,1,0,0|1,0,0]=3 125 B14R2.8032 NC1=C2CCC(C(=O)O)C2=CC=C1 9188AB [0,1,0,1,0,0|0,0,0]=2 126 B14R2.738 NC1CC(=O)NC2=C(C=CC=C2)C1 2615AL [0,1,0,1,0,0|1,0,0]=3 127 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O 3243AH [0,1,0,1,0,0|2,0,0]=4 128 B14R2.741 NC1COC2=C(C=CC=C2)NC1=O 6236AC [0,1,0,1,0,0|2,0,0]=4 129 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 7352AC [0,1,0,1,0,0|2,0,0]=4 130 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)C1 7645AA [0,1,0,1,0,0|1,0,0]=3 131 B14R2.5816 O=C(O)C1CCC2=C1C=C(O)C=C2 1012AB [0,1,0,1,0,0|0,0,0]=2 132 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 2032AB [0,1,0,1,0,0|2,0,0]=4 133 B14R2.4514 CN1C(=O)CCC1C2=CC=CN=C2 Z7799 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [0,0,0,0,2,0|2,0,0]=4 135 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [0,0,0,0,2,0|1,0,1]=4 136 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [0,0,0,0,2,0|2,0,0]=4 137 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 Y4005 [0,0,0,0,0,2|0,0,0]=2