0 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 P16901 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 B15807 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,0,0,0,0,0|2,0,1]=4 5 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 B8679 [0,1,0,0,0,0|2,0,1]=4 6 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 P9636 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O B9504 [0,1,0,0,0,0|3,0,0]=4 8 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O A8780 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O B18300 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O C9505 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.2 O=C(Cl)CN1CCC2=CC=CC=C21 D13525 [0,0,0,1,0,0|3,0,0]=4 12 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 D13524 [0,0,0,1,0,0|3,0,0]=4 13 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,0]=2 14 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,0]=2 15 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,0]=2 16 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,0]=2 17 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,1,0,0|1,1,0]=3 18 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,1,0,0|1,2,0]=4 19 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,1,0,0|1,1,0]=3 20 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,1,0,0|1,2,0]=4 21 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 T8067 [0,0,0,1,0,0|2,0,0]=3 22 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 T8067 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 T8068 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.31359 O=C(O)[C@@H]1NCCC2=CC=CC=C21 T12750 [0,0,0,1,0,0|3,0,0]=4 25 B14R2.31359 O=C(O)[C@H]1CCCC2=C1C=CC=C2 T11008 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [0,0,0,0,1,0|1,0,0]=2 27 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [0,0,0,0,1,0|3,0,0]=4 28 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [0,0,0,0,1,0|2,0,0]=3 29 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [0,0,0,0,1,0|2,0,0]=3 31 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 B15739 [0,0,0,0,0,1|3,0,0]=4 32 B14R1.422 O=C(O)\C=C\COCC1=CC=CC=C1 B14704 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [2,0,0,0,0,0|1,0,1]=4 34 B13R1.28 BrCCCCCCC1=CC=CC=C1 B10690 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [1,1,0,0,0,0|0,0,2]=4 36 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,1,0,0,1,0|2,0,0]=4 38 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 A14489 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,1,0,0,1,0|1,0,1]=4 40 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [0,1,0,0,1,0|1,0,0]=3 41 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,1,0,0,1,0|1,0,0]=3 42 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,1,0,0,1,0|1,0,0]=3 43 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [0,1,0,0,1,0|1,0,0]=3 44 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [0,1,0,0,1,0|2,0,0]=4 46 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [0,1,0,0,1,0|1,0,0]=3 47 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [0,1,0,0,1,0|2,0,0]=4 48 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,1,0|1,0,0]=3 49 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,1,0|1,0,0]=3 50 B15R1.871 CC(C)OCCOCC1=CC=C(O)C=C1 I3217 [0,1,0,0,0,1|1,0,1]=4 51 B15R1.882 N[C@H](CCCC(=O)O)C1=CC=C(F)C=C1 A15373 [0,2,0,0,0,0|2,0,0]=4 52 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 B9336 [0,2,0,0,0,0|2,0,0]=4 53 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 B14720 [0,2,0,0,0,0|2,0,0]=4 54 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [1,0,0,1,0,0|1,0,1]=4 55 B13R2.15 O=C1NCCN1C2=CC=CC=C2 P13506 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B16950 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [1,0,0,1,0,0|2,0,0]=4 58 B13R2.5252 O=C1CCCNC2=CC=CC=C12 T14406 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [0,0,0,1,1,0|2,0,0]=4 60 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,1,1,0|1,0,0]=3 61 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,1,0|1,0,0]=3 62 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,1,0|1,0,0]=3 63 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,1,1,0|1,1,0]=4 64 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,1,1,0|1,1,0]=4 65 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,0,1,1,0|1,0,0]=3 66 B13R2.163 O=C1CCSC2=CC=CC=C2N1 D17032 [0,0,0,1,1,0|2,0,0]=4 67 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B10794 [0,0,0,1,0,1|1,0,0]=3 68 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B3030 [0,0,0,1,0,1|1,0,0]=3 69 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 B16977 [0,0,0,1,0,1|1,0,0]=3 70 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 B15684 [0,0,0,1,0,1|2,0,0]=4 71 B15R2.68122 O=C(Cl)CN1CCCC2=CC=CC=C21 D13523 [0,0,0,1,0,1|2,0,0]=4 72 B15R2.68122 O=C(O)CN1CCCC2=CC=CC=C21 D13522 [0,0,0,1,0,1|2,0,0]=4 73 B15R2.1668 O=C(O)CC1CCC2=CC=CC=C2N1 T13158 [0,1,0,1,0,0|2,0,0]=4 74 B15R2.548 O=C1CCN(C2=CC=CC=C2)CCN1 P15819 [0,1,0,1,0,0|2,0,0]=4 75 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B2316 [0,1,0,1,0,0|2,0,0]=4 76 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B3115 [0,1,0,1,0,0|2,0,0]=4 77 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,1,0,0|1,0,0]=3 78 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 B8643 [0,1,0,1,0,0|1,0,1]=4 79 B15R2.325 O=C1N[C@H](CC2=CC=CC=C2)C(=O)O1 B8644 [0,1,0,1,0,0|1,0,1]=4 80 B15R2.16364 NC1(C(=O)O)CCCC2=CC=CC=C21 A13053 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [0,0,0,0,2,0|1,0,1]=4 82 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,0,0,0,2,0|1,0,0]=3 83 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [0,0,0,0,2,0|2,0,0]=4 84 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,0,0,0,2,0|2,0,0]=4 85 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,0,0,0,2,0|2,0,0]=4